First-order symmetric-hyperbolic Einstein equations with arbitrary fixed gauge

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光学系统设计zemax初级教程

光学系统设计zemax初级教程

光学系统设计(Zemax初学手册)内容纲目:前言习作一:单镜片(Singlet)习作二:双镜片习作三:牛顿望远镜习作四:Schmidt-Cassegrain和aspheric corrector习作五:multi-configuration laser beam expander习作六:fold mirrors和coordinate breaks习作七:使用Extra Date Editor, Optimization with Binary Surfaces前言整个中华卫星二号「红色精灵」科学酬载计划,其量测仪器基本上是个光学仪器。

所以光学系统的分析乃至于设计与测试是整个酬载发展重要一环。

这份初学手册提供初学者使用软件作光学系统设计练习,整个需要Zemax光学系统设计软件。

它基本上是Zemax使用手册中tutorial的中文翻译,由蔡长青同学完成,并在Zemax E. E. 7.0上测试过。

由于蔡长青同学不在参与「红色精灵」计划,所以改由黄晓龙同学接手进行校稿与独立检验,整个内容已在Zemax E. E. 8.0版上测试过。

我们希望藉此初学手册(共有七个习作)与后续更多的习作与文件,使团队成员对光学系统设计有进一步的掌握。

(陈志隆注)(回内容纲目)习作一:单镜片(Singlet)你将学到:启用Zemax,如何键入wavelength,lens data,产生ray fan,OPD,spot diagrams,定义thickness solve以及variables,执行简单光学设计最佳化。

设想你要设计一个F/4单镜片在光轴上使用,其focal length 为100mm,在可见光谱下,用BK7镜片来作。

首先叫出ZEMAX的lens data editor(LDE),什么是LDE呢?它是你要的工作场所,譬如你决定要用何种镜片,几个镜片,镜片的radius,thickness,大小,位置……等。

然后选取你要的光,在主选单system下,圈出wavelengths,依喜好键入你要的波长,同时可选用不同的波长等。

ABAQUS单元选用标准

ABAQUS单元选用标准

Table 1 ABAQUS Elements Selection CriteriaGeneral contact between deformable bodies变形体间的普通接触First-order quad/hexlinear一阶四边形/三角形单元Second-order quad/hexquadratic二阶四边形/三角形Contact with bending弯曲接触Incompatible mode非协调模式First-order fully integrated quad/hexor second-order quad/hex一阶全积分或二阶四边形/三角形Bending (no contact) 非接触弯曲Second-order quad/hex二阶四边形/三角形单元First-order fully integrated quad/hex一阶全积分四边形/三角形Stress concentration集中应力Second-order二阶First-order一阶Nearly incompressible (ν=k/(k+1)>0.475 or large strain plasticity εpl>10%) 近不可压缩刚体First-order elements or second-orderreduced-integration elements一阶全积分单元或二阶缩减单元Second-order fully integratedCompletely incompressible (rubberν= 0.5)完全,不可压缩刚体Hybrid quad/hex, first-order if largedeformations are anticipated一阶四边形/三角形混合单元(Quad-dominated)Bulk metal forming (high mesh distortion) (金属)体积成型(网格畸变) First-order reduced-integration quad/hex一阶四边形/三角形缩减单元Second-order quad/hexComplicated model geometry (linear material,no contact)(线性材料无接触) Second-order quad/hex if possible (if not overly distorted) or second-order tet/tri (because ofmeshing difficulties)Complicated model geometry (nonlinear problem or contact) First-order quad/hex if possible (if not overly distorted) or modified second-order tet/tri (because of meshing difficulties)Natural frequency (lineardynamics)Second-orderNonlinear dynamic (impact) 非线性动力冲击First-orderlinear一阶四边形/三角形Second-order。

代数英语

代数英语

(0,2) 插值||(0,2) interpolation0#||zero-sharp; 读作零井或零开。

0+||zero-dagger; 读作零正。

1-因子||1-factor3-流形||3-manifold; 又称“三维流形”。

AIC准则||AIC criterion, Akaike information criterionAp 权||Ap-weightA稳定性||A-stability, absolute stabilityA最优设计||A-optimal designBCH 码||BCH code, Bose-Chaudhuri-Hocquenghem codeBIC准则||BIC criterion, Bayesian modification of the AICBMOA函数||analytic function of bounded mean oscillation; 全称“有界平均振动解析函数”。

BMO鞅||BMO martingaleBSD猜想||Birch and Swinnerton-Dyer conjecture; 全称“伯奇与斯温纳顿-戴尔猜想”。

B样条||B-splineC*代数||C*-algebra; 读作“C星代数”。

C0 类函数||function of class C0; 又称“连续函数类”。

CA T准则||CAT criterion, criterion for autoregressiveCM域||CM fieldCN 群||CN-groupCW 复形的同调||homology of CW complexCW复形||CW complexCW复形的同伦群||homotopy group of CW complexesCW剖分||CW decompositionCn 类函数||function of class Cn; 又称“n次连续可微函数类”。

Cp统计量||Cp-statisticC。

03_first-order

03_first-order

控制系统的优点: 提高改善系统的响应特性
存在的问题: 如何消除系统存在的稳态误差?
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Time constant=?
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(1) The system has a steady-state error between input and output (2) The system response is faster than the open-loop system
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解析数论是使用数学分析作为工具来解决数论问题的分支

解析数论是使用数学分析作为工具来解决数论问题的分支

解析数论是使用数学分析作为工具来解决数论问题的分支。

微积分和复变函数论发展以后,产生了解析数论。

该学科的第一个主要成就是狄利克雷用解析方法证明了Dirichlet's theorem on arithmetic progressions。

依靠黎曼zeta函数对素数定理的证明是另一个里程碑。

解析数论是解决数论中艰深问题的重要工具,数论中有些问题必须由解析方法才能提出或解决。

中国的华罗庚、王元、陈景润等人在“哥德巴赫猜想”、“华林问题”等解析数论问题上取得世界公认的成就。

黎曼ζ函数Riemann zeta functionIn mathematics, the Riemann zeta function, named after German mathematician Bernhard Riemann, is a function of great significance in number theory because of its relation to the distribution of prime numbers. It also has applications in other areas such as physics, probability theory, and applied statistics. The Riemann hypothesis, a conjecture about the distribution of the zeros of the Riemann zeta function, is considered by many mathematicians to be the most important unsolved problem in pure mathematics.[1]DefinitionThe Riemann zeta-function ζ(s) is the function of a complex variable s initially defined by the following infinite series:As a Dirichlet series with bounded coefficient sequence this series converges absolutely to an analytic function on the open half-plane of s such that Re(s) > 1 and diverges on the open half-plane of s such that Re(s) < 1. The function defined by the series on the half-plane of convergence can however be continued analytically to all complex s≠ 1. For s= 1 the series is formally identical to the harmonic series which diverges to infinity. As a result, the zeta function becomes a meromorphic function of the complex variable s, which is holomorphic in the region {s∈ C : s≠1} of the complex plane and has a simple pole at s= 1 with residue 1.Specific valuesThe values of the zeta function obtained from integral arguments are called zeta constants. The following are the most commonly used values of the Riemann zeta function.this is the harmonic series.this is employed in calculating the critical temperature for a Bose–Einstein condensate in physics, and for spin-wave physics in magnetic systems.the demonstration of this equality is known as the Basel problem. The reciprocal of this sum answers the question: What is the probability that two numbers selected at random are relatively prime? [2]this is called Apéry's constant.Stefan–Boltzmann law and Wien approximation in physics.Euler product formulaThe connection between the zeta function and prime numberswas discovered by Leonhard Euler, who proved the identitywhere, by definition, the left hand side is ζ(s) and the infiniteproduct on the right hand side extends over all prime numbers p(such expressions are called Euler products):Both sides of the Euler product formula converge for Re(s) > 1. The proof of Euler's identity uses only the formula for the geometric series and the fundamental theorem of arithmetic. Since the harmonic series, obtained when s= 1, diverges, Euler's formula implies that there are infinitely many primes. For s an integer number, the Euler product formula can be used to calculate the probability that s randomly selected integers are relatively prime. It turns out that this probability is indeed 1/ζ(s). The functional equationThe Riemann zeta function satisfies the functional equationvalid for all complex numbers s, which relates its values at points s and 1 −s. Here, Γ denotes the gamma function. This functional equation was established by Riemann in his 1859 paper On the Number of Primes Less Than a Given Magnitude and used to construct the analytic continuation in the first place. An equivalent relationship was conjectured by Euler in 1749 for the functionAccording to André Weil, Riemann seems to have been very familiar with Euler's work on the subject.[3]The functional equation given by Riemann has to be interpreted analytically if any factors in the equation have a zero or pole. For instance, when s is 2, the right side has a simple zero in the sine factor and a simple pole in the Gamma factor, which cancel out and leave a nonzero finite value. Similarly, when s is 0, the right side has a simple zero in the sine factor and a simple pole in the zeta factor, which cancel out and leave a finite nonzero value. When s is 1, the right side has a simple pole in the Gamma factor that is not cancelled out by a zero in any other factor, which is consistent with the zeta-function on the left having a simple pole at 1.There is also a symmetric version of the functional equation, given by first definingThe functional equation is then given by(Riemann defined a similar but different function which he called ξ(t).)The functional equation also gives the asymptotic limit(GergőNemes, 2007)Zeros, the critical line, and the Riemann hypothesisThe functional equation shows that the Riemann zeta function has zeros at −2, −4, ... . These are called the trivial zeros. They are trivial in the sense that their existence is relatively easy to prove, for example, from sin(πs/2) being 0 in the functional equation. The non-trivial zeros have captured far more attention because their distribution not only is far less understood but, more importantly, their study yields impressive results concerning prime numbers and related objects in number theory. It is known that any non-trivial zero lies in the open strip {s∈ C: 0 < Re(s) < 1}, which is called the critical strip. The Riemann hypothesis, considered to be one of the greatest unsolved problems in mathematics, asserts that any non-trivial zero s has Re(s) = 1/2. In the theory of the Riemann zeta function, the set{s∈ C: Re(s) = 1/2} is called the critical line. For the Riemann zeta function on the critical line, see Z-function.The location of the Riemann zeta function's zeros is of great importance in the theory of numbers. From the fact that allnon-trivial zeros lie in the critical strip one can deduce the prime number theorem. A better result[4]is that ζ(σ+ i t) ≠ 0 whenever |t| ≥ 3 andThe strongest result of this kind one can hope for is the truth of the Riemann hypothesis, which would have many profound consequences in the theory of numbers.It is known that there are infinitely many zeros on the critical line. Littlewood showed that if the sequence (γn) contains the imaginary parts of all zeros in the upper half-plane in ascending order, thenThe critical line theorem asserts that a positive percentage of the nontrivial zeros lies on the critical line.In the critical strip, the zero with smallest non-negative imaginary part is 1/2 + i14.13472514... Directly from the functional equation one sees that the non-trivial zeros are symmetric about the axis Re(s) = 1/2. Furthermore, the fact that ζ(s) = ζ(s*)* for all complex s≠ 1 (* indicating complex conjugation) implies that the zeros of the Riemann zeta function are symmetric about the real axis.The statistics of the Riemann zeta zeros are a topic of interest to mathematicians because of their connection to big problems like the Riemann hypothesis, distribution of prime numbers, etc. Through connections with random matrix theory and quantum chaos, the appeal is even broader. The fractal structure of the Riemann zeta zero distribution has been studied using rescaled range analysis.[5] The self-similarity of the zero distribution is quite remarkable, and is characterized by a large fractal dimension of 1.9. This rather large fractal dimension is found over zeros covering at least fifteen orders of magnitude, and also for the zeros of other L-functions.The properties of the Riemann zeta function in the complex plane, specifically along parallels to the imaginary axis, has also been studied, by the relation to prime numbers, in recentphysical interference experiments, by decomposing the sum into two parts with opposite phases, ψ and ψ*, which then are brought to interference. [6]For sums involving the zeta-function at integer and half-integer values, see rational zeta series.[O] ReciprocalThe reciprocal of the zeta function may be expressed as a Dirichlet series over the Möbius functionμ(n):for every complex number s with real part > 1. There are a number of similar relations involving various well-known multiplicative functions; these are given in the article on the Dirichlet series.The Riemann hypothesis is equivalent to the claim that this expression is valid when the real part of s is greater than 1/2. [O] UniversalityThe critical strip of the Riemann zeta function has the remarkable property of universality. This zeta-function universality states that there exists some location on the critical strip that approximates any holomorphic function arbitrarily well. Since holomorphic functions are very general, this property is quite remarkable.[O] Representations[O] Mellin transformThe Mellin transform of a function f(x) is defined asin the region where the integral is defined. There are various expressions for the zeta-function as a Mellin transform. If the real part of s is greater than one, we havewhere Γ denotes the Gamma function. By subtracting off the first terms of the power series expansion of 1/(exp(x) −1) around zero, we can get the zeta-function in other regions. In particular, in the critical strip we haveand when the real part of s is between −1 and 0,We can also find expressions which relate to prime numbers and the prime number theorem. If π(x) is the prime-counting function, thenfor values with We can relate this to the Mellin transform of π(x) bywhereconverges forA similar Mellin transform involves the Riemann prime-counting function J(x), which counts prime powers p n with a weight of 1/n,so that Now we haveThese expressions can be used to prove the prime number theorem by means of the inverse Mellin transform. Riemann's prime-counting function is easier to work with, and π(x) can be recovered from it by Möbius inversion.Also, from the above (specifically, the second equation in this section), we can write the zeta function in the commonly seen form:[O] Laurent seriesThe Riemann zeta function is meromorphic with a single pole of order one at s= 1. It can therefore be expanded as a Laurent series about s= 1; the series development then isThe constants γn here are called the Stieltjes constants and can be defined by the limitThe constant term γ0 is the Euler-Mascheroni constant.[O] Rising factorialAnother series development valid for the entire complex plane iswhere is the rising factorial This can be used recursively to extend the Dirichlet series definition to all complex numbers.The Riemann zeta function also appears in a form similar to the Mellin transform in an integral over the Gauss-Kuzmin-Wirsing operator acting on x s−1; that context gives rise to a series expansion in terms of the falling factorial.[O] Hadamard productOn the basis of Weierstrass's factorization theorem, Hadamard gave the infinite product expansionwhere the product is over the non-trivial zeros ρ of ζ and the letter γ again denotes the Euler-Mascheroni constant. A simpler infinite product expansion isThis form clearly displays the simple pole at s = 1, the trivial zeros at −2, −4, ... due to the gamma function term in the denominator, and the non-trivial zeros at s = ρ.[O] Globally convergent seriesA globally convergent series for the zeta function, valid for all complex numbers s except s = 1, was conjectured by Konrad Knopp and proved by Helmut Hasse in 1930:The series only appeared in an Appendix to Hasse's paper, and did not become generally known until it was rediscovered more than 60 years later (see Sondow, 1994).Peter Borwein has shown a very rapidly convergent series suitable for high precision numerical calculations. The algorithm, making use of Chebyshev polynomials, is described in the article on the Dirichlet eta function.[O] ApplicationsAlthough mathematicians regard the Riemann zeta function as being primarily relevant to the "purest" of mathematical disciplines, number theory, it also occurs in applied statistics (see Zipf's law and Zipf-Mandelbrot law), physics, and the mathematical theory of musical tuning.During several physics-related calculations, one must evaluate the sum of the positive integers; paradoxically, on physical grounds one expects a finite answer. When this situation arises, there is typically a rigorous approach involving much in-depth analysis, as well as a "short-cut" solution relying on the Riemann zeta-function. The argument goes as follows: we wish to evaluate the sum 1 + 2 + 3 + 4 + · · ·, but we can rewrite it as a sum of reciprocals:The sum S appears to take the form of However, −1 lies outside of the domain for which the Dirichlet series for thezeta-function converges. However, a divergent series of positive terms such as this one can sometimes be represented in a reasonable way by the method of Ramanujan summation (see Hardy, Divergent Series.) Ramanujan summation involves an application of the Euler–Maclaurin summation formula, and when applied to the zeta-function, it extends its definition to the whole complex plane. In particularwhere the notation indicates Ramanujan summation.[7]For even powers we have:and for odd powers we have a relation with the Bernoulli numbers:Zeta function regularization is used as one possible means of regularization of divergent series in quantum field theory. In one notable example, the Riemann zeta-function shows up explicitly in the calculation of the Casimir effect.[O] GeneralizationsThere are a number of related zeta functions that can be considered to be generalizations of Riemann's zeta-function. These include the Hurwitz zeta functionwhich coincides with Riemann's zeta-function when q = 1 (note that the lower limit of summation in the Hurwitz zeta function is 0, not 1), the Dirichlet L-functions and the Dedekind zeta-function. For other related functions see the articles Zeta function andL-function.The polylogarithm is given bywhich coincides with Riemann's zeta-function when z = 1.The Lerch transcendent is given bywhich coincides with Riemann's zeta-function when z = 1 and q = 1 (note that the lower limit of summation in the Lerch transcendent is 0, not 1).The Clausen function that can be chosen as the real orimaginary part ofThe multiple zeta functions are defined byOne can analytically continue these functions to then-dimensional complex space. The special values of these functions are called multiple zeta values by number theorists and have been connected to many different branches in mathematics and physics.[O] Zeta-functions in fiction。

开启片剂完整性的窗户(中英文对照)

开启片剂完整性的窗户(中英文对照)

开启片剂完整性的窗户日本东芝公司,剑桥大学摘要:由日本东芝公司和剑桥大学合作成立的公司向《医药技术》解释了FDA支持的技术如何在不损坏片剂的情况下测定其完整性。

太赫脉冲成像的一个应用是检查肠溶制剂的完整性,以确保它们在到达肠溶之前不会溶解。

关键词:片剂完整性,太赫脉冲成像。

能够检测片剂的结构完整性和化学成分而无需将它们打碎的一种技术,已经通过了概念验证阶段,正在进行法规申请。

由英国私募Teraview公司研发并且以太赫光(介于无线电波和光波之间)为基础。

该成像技术为配方研发和质量控制中的湿溶出试验提供了一个更好的选择。

该技术还可以缩短新产品的研发时间,并且根据厂商的情况,随时间推移甚至可能发展成为一个用于制药生产线的实时片剂检测系统。

TPI技术通过发射太赫射线绘制出片剂和涂层厚度的三维差异图谱,在有结构或化学变化时太赫射线被反射回。

反射脉冲的时间延迟累加成该片剂的三维图像。

该系统使用太赫发射极,采用一个机器臂捡起片剂并且使其通过太赫光束,用一个扫描仪收集反射光并且建成三维图像(见图)。

技术研发太赫技术发源于二十世纪九十年代中期13本东芝公司位于英国的东芝欧洲研究中心,该中心与剑桥大学的物理学系有着密切的联系。

日本东芝公司当时正在研究新一代的半导体,研究的副产品是发现了这些半导体实际上是太赫光非常好的发射源和检测器。

二十世纪九十年代后期,日本东芝公司授权研究小组寻求该技术可能的应用,包括成像和化学传感光谱学,并与葛兰素史克和辉瑞以及其它公司建立了关系,以探讨其在制药业的应用。

虽然早期的结果表明该技术有前景,但日本东芝公司却不愿深入研究下去,原因是此应用与日本东芝公司在消费电子行业的任何业务兴趣都没有交叉。

这一决定的结果是研究中心的首席执行官DonArnone和剑桥桥大学物理学系的教授Michael Pepper先生于2001年成立了Teraview公司一作为研究中心的子公司。

TPI imaga 2000是第一个商品化太赫成像系统,该系统经优化用于成品片剂及其核心完整性和性能的无破坏检测。

【干货专栏】第一性原理小知识:名称起源和密度泛函理论的诞生

【干货专栏】第一性原理小知识:名称起源和密度泛函理论的诞生

【干货专栏】第一性原理小知识:名称起源和密度泛函理论的诞生作者:弼马温,悉尼大学物理博士一枚,第一性原理殿堂中一个养马的小官儿。

现为材料人计算科技顾问。

诸位材料人的看官,今天请随我一起聊一聊“第一性原理”这个材料学中耳熟能详的术语。

1、第一性原理的起源第一性原理这个名词,翻译自英文短语first principle,又作ab-initio,字面意义可以理解为“initio(最初的)之前的”。

可考于西方古典主义时期希腊城邦时代,最早由亚里士多德提出[i]。

第一性原理最初仅仅是一个哲学用语,主要用来指代任何“基础的(basic)”“原始的(fundamental)”“自证的(self-evident)”仅包含假设与猜想,不可从其他已有的定理或是经验定理推导、演绎得到的理论。

这句话看起来拗口,其实不难理解:我们熟悉的几何学中曾有过公理(axiom)的说法,公理不可被证明、不可由其他定理演绎或推导;公理是某个理论体系(如欧几里得几何)的基石(假设),虽然与经验定理类似,皆是建立在长期的实践观察总结或猜想所得,但稍微不同之处在于公理之上建立的体系往往有自洽性与完备性,而经验定理则存在适用范围和成立条件。

经验定理虽然在完全清楚之前往往说不清楚适用范围,不然不会叫经验定理了,但是确实在偏离条件较远的位置不成立。

而完备理论则相反,体系本身是自洽的,衡量一个理论的价值高低仅仅在于其描述是否符合事实。

由上我们可以看出,第一性原理本身是要求理论不依赖任何经验公式、实验观测,虽然各位可能指出今天很多材料学中的第一性原理研究往往需要加入实验值、经验公式的修正才能更精确地解释一些现象,但这只是因为现今时代人类对材料学的研究尚不彻底,理论本身尚待进一步完善,而当下又需要迫切解决实际问题时的一种权宜之计。

关于这一点,后文将详述。

20世纪以前,第一性原理的概念大多见诸于数学、哲学和理论物理——此三者有一个共同点:它们都属于人脑的归纳、演绎产生的逻辑自洽学科,其理论体系的基石都可称之为第一性原理(历史原因,在不同的场合有时阐述为“假设”“猜想”“理论”“公理”),从这个意义上讲它们可以明显区别于诸如化学、生物等建立在实验基础上的学科。

glmmTMB包用户指南说明书

glmmTMB包用户指南说明书

Getting started with the glmmTMB packageBen BolkerOctober7,20231Introduction/quick startglmmTMB is an R package built on the Template Model Builder automatic differentiation engine,for fitting generalized linear mixed models and exten-sions.(Not-yet-implemented features are denoted like this)response distributions:Gaussian,binomial,beta-binomial,Poisson, negative binomial(NB1and NB2parameterizations),Conway-Maxwell-Poisson,generalized Poisson,Gamma,Beta,Tweedie;as well as zero-truncated Poisson,Conway-Maxwell-Poisson,generalized Poisson,and negative binomial;Student t.See?family glmmTMB for a current list including details of parameterizations.link functions:log,logit,probit,complementary log-log,inverse,iden-tityzero-inflation with fixed and random-effects components;hurdle models via truncated Poisson/NBsingle or multiple(nested or crossed)random effectsoffsetsfixed-effects models for dispersiondiagonal,compound-symmetric,or unstructured random effects variance-covariance matrices;first-order autoregressive(AR1)variance struc-tures1In order to use glmmTMB effectively you should already be reasonably fa-miliar with generalized linear mixed models(GLMMs),which in turn requires familiarity with(i)generalized linear models(e.g.the special cases of logis-tic,binomial,and Poisson regression)and(ii)‘modern’mixed models(those working via maximization of the marginal likelihood rather than by manipu-lating sums of squares).Bolker et al.(2009)and Bolker(2015)are reasonable starting points in this area(especially geared to biologists and less-technical readers),as are Zuur et al.(2009),Millar(2011),and Zuur et al.(2013).In order to fit a model in glmmTMB you need to:specify a model for the conditional effects,in the standard R(Wilkinson-Rogers)formula notation(see?formula or Section11.1of the Intro-duction to R.Formulae can also include offsets.specify a model for the random effects,in the notation that is commonto the nlme and lme4packages.Random effects are specified as x|g,where x is an effect and g is a grouping factor(which must be a factorvariable,or a nesting of/interaction among factor variables).For ex-ample,the formula would be1|block for a random-intercept model ortime|block for a model with random variation in slopes through timeacross groups specified by block.A model of nested random effects(block within site)could be1|site/block if block labels are reusedacross multiple sites,or(1|site)+(1|block)if the nesting structureis explicit in the data and each level of block only occurs within onesite.A model of crossed random effects(block and year)would be(1|block)+(1|year).choose the error distribution by specifying the family(family argu-ment).In general,you can specify the function(binomial,gaussian,poisson,Gamma from base R,or one of the options listed at family glmmTMB [nbinom2,beta family(),betabinomial,...])).choose the error distribution by specifying the family(family argu-ment).You can choose among–Distributions defined in base R and documented in?family,ex-cept the inverse Gaussian and quasi-families–Distributions defined in?glmmTMB::family glmmTMB2optionally specify a zero-inflation model(via the ziformula argument) with fixed and/or random effectsoptionally specify a dispersion model with fixed effectsThis document was generated using4.3.1and package versions:##bbmle glmmTMB## 1.0.25 1.1.8The current citation for glmmTMB is:Brooks ME,Kristensen K,van Benthem KJ,Magnusson A,BergCW,Nielsen A,Skaug HJ,Maechler M,Bolker BM(2017).“glmmTMB Balances Speed and Flexibility Among Packages for Zero-inflatedGeneralized Linear Mixed Modeling.”The R Journal,9(2),378–400.doi:10.32614/RJ-2017-066.2Preliminaries:packages and dataLoad required packages:library("glmmTMB")library("bbmle")##for AICtablibrary("ggplot2")##cosmetictheme_set(theme_bw()+theme(panel.spacing=grid::unit(0,"lines")))The data,taken from Zuur et al.(2009)and ultimately from Roulin and Bersier(2007),quantify the number of negotiations among owlets(owl chicks)in different nests prior to the arrival of a provisioning parent as a function of food treatment(deprived or satiated),the sex of the parent,and arrival time.The total number of calls from the nest is recorded,along with the total brood size,which is used as an offset to allow the use of a Poisson response.Since the same nests are measured repeatedly,the nest is used as a random effect.The model can be expressed as a zero-inflated generalized linear mixed model(ZIGLMM).3Various small manipulations of the data set:(1)reorder nests by mean negotiations per chick,for plotting purposes;(2)add log brood size variable(for offset);(3)rename response variable and abbreviate one of the input variables.Owls<-transform(Owls,Nest=reorder(Nest,NegPerChick),NCalls=SiblingNegotiation,FT=FoodTreatment)(If you were really using this data set you should start with summary(Owls)to explore the data set.)We should explore the data before we start to build models,e.g.by plotting it in various ways,but this vignette is about glmmTMB,not aboutdata visualization...Now fit some models:The basic glmmTMB fit—a zero-inflated Poisson model with a single zero-inflation parameter applying to all observations(ziformula~1).(Excludingzero-inflation is glmmTMB’s default:to exclude it explicitly,use ziformula~0.)fit_zipoisson<-glmmTMB(NCalls~(FT+ArrivalTime)*SexParent+offset(log(BroodSize))+(1|Nest),data=Owls,ziformula=~1,family=poisson)summary(fit_zipoisson)We can also try a standard zero-inflated negative binomial model;the default is the“NB2”parameterization(variance=µ(1+µ/k):Hardinand Hilbe(2007)).To use families(Poisson,binomial,Gaussian)that are defined in R,you should specify them as in?glm(as a string referringto the family function,as the family function itself,or as the result ofa call to the family function:i.e.family="poisson",family=poisson, family=poisson(),and family=poisson(link="log")are all allowed andall equivalent(the log link is the default for the Poisson family).Someof the additional families that are not defined in base R(at this point4nbinom2and nbinom1)can be specified using the same format.Other-wise,for families that are implemented in glmmTMB but for which glmmTMB does not provide a function,you should specify the family argument as a list containing(at least)the(character)elements family and link,e.g. family=list(family="nbinom2",link="log").(In order to be able to re-trieve Pearson(variance-scaled)residuals from a fit,you also need to specify a variance component;see?family glmmTMB.)fit_zinbinom<-update(fit_zipoisson,family=nbinom2) Alternatively,we can use an“NB1”fit(variance=ϕµ).fit_zinbinom1<-update(fit_zipoisson,family=nbinom1) Relax the assumption that total number of calls is strictly proportional to brood size(ing log(brood size)as an offset):fit_zinbinom1_bs<-update(fit_zinbinom1,.~(FT+ArrivalTime)*SexParent+BroodSize+(1|Nest))Every change we have made so far improves the fit—changing distri-butions improves it enormously,while changing the role of brood size makes only a modest(-1AIC unit)difference:AICtab(fit_zipoisson,fit_zinbinom,fit_zinbinom1,fit_zinbinom1_bs)2.1Hurdle modelsIn contrast to zero-inflated models,hurdle models treat zero-count and non-zero outcomes as two completely separate categories,rather than treating the zero-count outcomes as a mixture of structural and sampling zeros.glmmTMB includes truncated Poisson and negative binomial familes and hence can fit hurdle models.5fit_hnbinom1<-update(fit_zinbinom1_bs,ziformula=~.,data=Owls,family=truncated_nbinom1)Then we can use AICtab to compare all the models.AICtab(fit_zipoisson,fit_zinbinom,fit_zinbinom1,fit_zinbinom1_bs,fit_hnbinom1)3Sample timingsTo get a rough idea of glmmTMB’s speed relative to lme4(the most commonly used mixed-model package for R),we try a few standard problems,enlarging the data sets by cloning the original data set(making multiple copies and sticking them together).Figure??shows the results of replicating the Contraception data set (1934observations,60levels in the random effects grouping level)from1 to40times.glmmADMB is sufficiently slow(≈1minute for a single copy of the data)that we didn’t try replicating very much.On average,glmmTMB is about2.3times faster than glmer for this problem.Figure1shows equivalent timings for the InstEval data set,although in this case since the original data set is large(73421observations)we subsample the data set rather than cloning it:in this case,the advantage is reversed and lmer is about5times faster.In general,we expect glmmTMB’s advantages over lme4to be(1)greater flexibility(zero-inflation etc.);(2)greater speed for GLMMs,especially those with large number of“top-level”parameters(fixed effects plus random-effects variance-covariance parameters).In contrast,lme4should be faster for LMMs(for maximum speed,you may want to check the MixedModels.jl package for Julia);lme4is more mature and at present has a wider variety of diagnostic checks and methods for using model results,including downstream packages.6Figure1:Timing for fitting subsets of the InstEval data set.7ReferencesBolker, B.M.(2015).Linear and generalized linear mixed models.In G.A.Fox,S.Negrete-Yankelevich,and V.J.Sosa(Eds.),Ecological Statis-tics:Contemporary theory and application,Chapter13.Oxford University Press.Bolker,B.M.,M.E.Brooks,C.J.Clark,S.W.Geange,J.R.Poulsen, M.H.H.Stevens,and J.S.White(2009).Generalized linear mixed mod-els:a practical guide for ecology and evolution.Trends in Ecology& Evolution24,127–135.Hardin,J.W.and J.Hilbe(2007,February).Generalized linear models and extensions.Stata Press.Millar,R.B.(2011,July).Maximum Likelihood Estimation and Inference: With Examples in R,SAS and ADMB.John Wiley&Sons.Roulin,A.and L.Bersier(2007).Nestling barn owls beg more intensely in the presence of their mother than in the presence of their father.Animal Behaviour74,1099–1106.Zuur,A.F.,J.M.Hilbe,and E.N.Leno(2013,May).A Beginner’s Guide to GLM and GLMM with R:A Frequentist and Bayesian Perspective for Ecologists.Highland Statistics Ltd.Zuur,A.F.,E.N.Ieno,N.J.Walker,A.A.Saveliev,and G.M.Smith(2009, March).Mixed Effects Models and Extensions in Ecology with R(1ed.). Springer.8。

朝向层序地层学标准化-回答

朝向层序地层学标准化-回答

DiscussionReply to the comments of W.Helland-Hansen on “Towards the standardization of sequence stratigraphy ”by Catuneanu et al.[Earth-Sciences Review 92(2009)1–33]O.Catuneanu a ,⁎,V.Abreu b ,J.P.Bhattacharya c ,M.D.Blum d ,R.W.Dalrymple e ,P.G.Eriksson f ,C.R.Fielding g ,W.L.Fisher h ,W.E.Galloway i ,M.R.Gibling j ,K.A.Giles k ,J.M.Holbrook l ,R.Jordan m ,C.G.St.C.Kendall n ,B.Macurda o ,O.J.Martinsen p ,A.D.Miall q ,J.E.Neal b ,D.Nummedal r ,L.Pomar s ,H.W.Posamentier t ,B.R.Pratt u ,J.F.Sarg v ,K.W.Shanley w ,R.J.Steel h ,A.Strasser x ,M.E.Tucker y ,C.Winker zaDepartment of Earth and Atmospheric Sciences,University of Alberta,1-26Earth Sciences Building,Edmonton,Alberta,Canada T6G 2E3bExxonMobil Exploration Company,Houston,Texas 77060,USA cGeosciences Department,University of Houston,Houston,Texas 77204-5007,USA dDepartment of Geology and Geophysics,Louisiana State University,Baton Rouge,Louisiana 70803,USA eDepartment of Geological Sciences and Geological Engineering,Queen's University,Kingston,Ontario,Canada K7L 3N6fDepartment of Geology,University of Pretoria,0002Pretoria,South Africa gDepartment of Geosciences,University of Nebraska-Lincoln,Nebraska 68588-0340,USA hDepartment of Geological Sciences,The University of Texas at Austin,Austin,Texas 78712,USA iInstitute for Geophysics,The University of Texas at Austin,Austin,Texas 78758-4445,USA jDepartment of Earth Sciences,Dalhousie University,Halifax,Nova Scotia,Canada B3H 4J1kInstitute of Tectonic Studies,New Mexico State University,P.O.Box 30001,Las Cruces,New Mexico 88003,USA lDepartment of Geology,The University of Texas at Arlington,Texas 76019-0049,USA mJordan Geology,Centreville,Delaware,USA nDepartment of Geological Sciences,University of South Carolina,Columbia,South Carolina 29208,USA oThe Energists,10260Westheimer,Suite 300,Houston,Texas 77042,USA pStatoilHydro Technology and New Energy,PO Box 7200,5020Bergen,Norway qDepartment of Geology,University of Toronto,Toronto,Ontario,Canada M5S 3B1rColorado Energy Research Institute,Colorado School of Mines,Golden,Colorado 80401,USA sDepartment of Earth Sciences,Universitat de les Illes Balears,E-07071Palma de Mallorca,Spain tChevron Energy Technology Company,Houston,Texas,USA uDepartment of Geological Sciences,University of Saskatchewan,Saskatoon,Saskatchewan,Canada S7N 5E2vColorado Energy Research Institute,Colorado School of Mines,Golden,Colorado 80401,USA wStone Energy LLC,1801Broadway,Denver,Colorado 80202,USA xDepartment of Geosciences,University of Fribourg,CH-1700Fribourg,Switzerland yDepartment of Earth Sciences,Durham University,Durham DH13LE,UK zShell International E&P Inc,3737Bellaire Blvd,P.O.Box 481,Houston,Texas 77001-0481,USAa r t i c l e i n f oArticle history:Accepted 25February 2009Available online 13March 20091.RationaleWe thank William Helland-Hansen for his compliments and feedback on our paper.We aimed to establish a consensus in sequence stratigraphy by using a neutral approach that focused on model-independent,fundamental concepts,because these are the ones common to various approaches.This search for common ground iswhat we meant by ‘standardization ’,not the imposition of a strict,in flexible set of rules for the placement of sequence-stratigraphic surfaces.Our work is meant to eliminate the present state of methodological and nomenclatural confusion within sequence strati-graphy,which is largely the result of uncoordinated effort in the development of the method and the proliferation of terminology that is unnecessarily complex.The model-independent (i.e.,common to various approaches;Figs.10and 22in Catuneanu et al.,2009)notions provide the practitioner with the ‘tools ’to identify the fundamental ‘building blocks ’in the rock record on the basis of observations of facies and/orEarth-Science Reviews 94(2009)98–100DOI of original article:10.1016/j.earscirev.2008.10.003.⁎Corresponding author.E-mail address:octavian@ualberta.ca (O.Catuneanu).0012-8252/$–see front matter ©2009Elsevier B.V.All rights reserved.doi:10.1016/j.earscirev.2009.02.004Contents lists available at ScienceDirectEarth-Science Reviewsj ou r n a l h o m e pa g e :ww w.e l s e v i e r.c o m/l o c a t e /e a r s c i r e vstratal stacking patterns,in a generic manner that is independent of any specific sequence stratigraphic approach.The realization that the identification of these‘building blocks’(also referred to as‘genetic units’or‘systems tracts’in Catuneanu et al.,2009)is more important than the selection of where sequence boundaries should be placed in the construction of a sequence stratigraphic framework is the basic premise for reaching a consensus in sequence stratigraphy.This is because,in practice,the data often dictate which surfaces are best expressed and hold the greatest utility at defining sequence boundaries,soflexibility is required.It should be noted that in the past,working groups appointed by the North American Commission on Stratigraphic Nomenclature and by the International Subcommission on Stratigraphic Classification (ISSC)had all failed to arrive at a consensus.Now,thanks to the publication of our paper,follow-up work mandated by the ISSC is underway.In no way is this standardization meant to be an obstacle that will limit further conceptual development or prevent certain approaches to specific situations,as feared by Helland-Hansen.In fact, the recognition of which concepts are fundamental and which are model-dependant(Figs.10and22in Catuneanu et al.,2009)may pave the way toward clearer thinking about sequence stratigraphy,which might in turn renew interest in this important approach to stratigraphic analysis.Whether or not sequence stratigraphy is mature enough for a common ground to be recognized will be revealed by future research.Experience shows that formalizing stratigraphic practices in codes and guides has not“frozen”their use and advancement.2.Sequence stratigraphy beyond“coastal depositional environments”The definition of a sequence that is used in our paper does not make reference to a base-level cycle,whether marine or lacustrine,and focuses instead on the more general cycles of change in accommodation or sediment supply,regardless of cause or depositional setting.There-fore,it is suited to broad application in all environments.Accommoda-tion changes in an upstream-controlledfluvial setting,for example,may have nothing to do with changes in base level at the coastline,yet accommodation does change and creates sequences.Similarly,offshore sub-basin tectonism may also generate sequences in a manner that is independent of changes in base level at the coastline.The fact that such inland or offshore sequences may have no temporal correlation with the base-level controlled sequences in the coastal area is important and needs to be appreciated.Accommodation(and the factors that control it)may be environ-ment-specific,so it is logical that there will be different sequences and types of systems tracts in each broad environmental setting.Evidently, the definition of‘conventional’sequence stratigraphic concepts that make reference to shoreline trajectories(e.g.,forced regression, normal regression,transgression)do not apply to successions that form beyond the influence of base-level change at the coastline. However,‘unconventional’systems tracts may be defined instead(see discussions on‘conventional’versus‘unconventional’systems tracts in Catuneanu et al.,2009,pp.20,22,29).As we did advocate an approach that was applicable to all depositional settings,the proposed model-independent workflow (Figs.10and22in Catuneanu et al.,2009)cannot be described as ‘incomplete’.While a most detailed sequence stratigraphic framework may be constructed in a coastal area(Fig.17in Catuneanu et al.,2009), the application of sequence stratigraphy extends to all depositional settings,without necessitating a physical or genetic link to coastal systems.3.TerminologyWe appreciate the logic presented by Helland-Hansen in proposing the usage of his set of terms.It is possible that some of his terms are superior to the ones we recommended,and we will take them into consideration before the ongoing work for the ISSC is concluded.One solution might be to apply the principle of historical priority,which would give precedence to the original set of terms.We recognize, however,that precedence is not necessarily the best criterion for the selection of a standard set of terms.Newer terms,if shown to be better,should replace older terms,although experience shows that the replacement of well-established terms can be difficult even if they are no longer the preferred ones.Updates of stratigraphic codes and guides provide the practitioner with the latest developments in methodology and nomenclature.It does need to be remembered that one goal at this stage in the process of‘standardization’is to eliminate confusion created by the proliferation of unnecessarily complex,and sometimes contradictory, terminology.We aimed at a selection of terms that are most intuitive and most commonly recognized by the practitioner.For example, maximumflooding surface is used and recognized widely within the stratigraphic community,and its replacement with a synonymous term such as the“maximum transgression surface”as proposed by Helland-Hansen,may not be helpful in any conceptual or practical way.Similarly,the terms normal regression(progradation with aggradation)and forced regression(progradation with downstep-ping)are equivalent with the terms ascending regression and descending regression,but the former are much more widely recognized and represented in the literature.4.‘Ideal’versus‘real’base-level cyclesIn Helland-Hansen's definition,an‘ideal’base-level cycle is a cycle that includes both stages of rise and fall,in which the interplay of base-level change and sediment supply results in a predictable succession of‘conventional’systems tracts:highstand normal regres-sive–forced regressive–lowstand normal regressive–transgressive. The question is whether the use of such an‘ideal’cycle as a norm for comparison is appropriate for the definition of a full model-independent approach.The model-independence of the workflow that we proposed stems from the delineation of genetic units in the rock record,to the extent afforded by the available data,irrespective of the specific sequence stratigraphic approach(Fig.22in Catuneanu et al.,2009).This workflow is in no way linked to any assumptions regarding syn-depositional changes in base-level,or in accommodation in general. While we used‘ideal’cycles as an illustrative teaching tool to explain the formation of the entire variety of stratal stacking patterns and corresponding genetic units,we also made it clear that‘cycles’in the rock record are not necessarily‘ideal’,symmetrical,or complete.We also state that“There are multiple combinations of what a sequence may preserve in terms of component genetic units(i.e.,systems tracts),which is why no single template can provide a solution for every situation”(Catuneanu et al.,2009,p.15).Much of Helland-Hansen's argument about a‘standardized’approach stifling creativity,as well as his dislike of the use of an ‘idealized’cycle as a norm for comparison,are similar to the criticisms leveled at facies models.Conceptually,the use of an‘ideal’cycle as an illustration of sequence stratigraphic concepts is equivalent to the use of an upward-fining succession as a facies model for a meandering-river point bar.However,nobody would argue that every real-world point bar must match the idealized model for a point bar.Similarly, there is no expectation that real sequences should always match an ‘ideal’accommodation cycle.5.Sequence definitionThefinal point raised by Helland-Hansen questions the appropriate-ness of having“cyclicity as a prerequisite for sequence definition”,and hence the applicability of our proposed definition of a‘stratigraphic99O.Catuneanu et al./Earth-Science Reviews94(2009)98–100sequence’(i.e.,“a succession of strata deposited during a full cycle of change in accommodation or sediment supply”;Catuneanu et al.,2009, p.19)versus Mitchum's(1977)definition of a‘sequence’as“a relatively conformable succession of genetically related strata bounded by unconformities or their correlative conformities”.All existing sequence stratigraphic schemes(Figs.3and4in Catuneanu et al.,2009)implicitly or explicitly incorporate a full cycle of change in accommodation or sediment supply in the definition of a sequence,because the beginning and the end of one cycle is marked by the same type of‘event’:e.g.,the onset of base-level fall;the onset of base-level rise;the end of regression;or the end of transgression. Consecutive‘events’of the same type must be of similar scale in order to define cycles of a specific hierarchical order(Johnson et al.,1985).Mitchum's(1977)definition presents two limitations.Firstly,his formulation is restrictive in the sense that it requires an unconformity at the sequence boundary.There are cases where genetic stratigraphic sequences or transgressive–regressive sequences sensu Johnson and Murphy(1984)are bounded entirely by conformable maximum flooding or maximum regressive surfaces respectively.Other similar situations have been acknowledged by Helland-Hansen in his discussion of alternating normal regressive–transgressive deposits without intervening stages of base-level fall.Secondly,Mitchum's(1977)definition is more applicable to systems tracts rather than to sequences.This is because there are cases where sequences may include strata that are neither“relatively conformable”nor“genetically related”at the selected scale of observation.Where subaerial unconformities are present in a succession,they are included within genetic stratigraphic sequences that are bounded by maximum flooding surfaces.This could,in some cases,lead to the placement of genetically unrelated strata(from below and above the subaerial unconformity)within the same sequence.Depending on the develop-ment and placement of unconformities(e.g.,the subaerial unconfor-mity,or the unconformable portion of the maximumflooding surface) relative to the sequence boundaries,all types of sequences(depositional, genetic stratigraphic or transgressive–regressive)may include succes-sions of strata that are not relatively conformable.However,whether unconformities are placed at the sequence boundary or within the sequence(i.e.,at the systems tract boundary),a systems tract always includes a relatively conformable succession of genetically related strata at the selected scale of observation.6.ConclusionTheflexibility afforded by a‘standard’model-independent work-flow that lays emphasis on stratal stacking patterns(genetic units) and bounding surfaces in the rock record,rather than on the selection of any particular boundary-dependent model,eliminates the need for any predefined templates.As such,the practitioner should no longer feel the need to fulfill the predictions of any particular model.Each case study is different,and the sequence stratigraphic organization of the rock record varies greatly with the tectonic and depositional setting.The types of data available for analysis,as well as the scale of observation,also make a difference to what can be interpreted from the rock record.This immense variability underlines the value of defining a model-independent workflow.In spite of this variability, however,there are common elements between all stratigraphic sequences in the rock record,no matter how they are defined:they are all the product of changes in accommodation(whetherfluvial or marine)or sediment supply and they all consist of a combination of the same basic‘building blocks’(i.e.,‘conventional’or‘unconven-tional’systems tracts).The identification of these‘building blocks’, without any expectations in terms of model predictions and templates,provides the key to the universal application of sequence stratigraphy.ReferencesCatuneanu,O.,Abreu,V.,Bhattacharya,J.P.,Blum,M.D.,Dalrymple,R.W.,Eriksson,P.G., Fielding,C.R.,Fisher,W.L.,Galloway,W.E.,Gibling,M.R.,Giles,K.A.,Holbrook,J.M., Jordan,R.,Kendall,C.G.St.C.,Macurda,B.,Martinsen,O.J.,Miall,A.D.,Neal,J.E., Nummedal,D.,Pomar,L.,Posamentier,H.W.,Pratt,B.R.,Sarg,J.F.,Shanley,K.W., Steel,R.J.,Strasser,A.,Tucker,M.E.,Winker,C.,2009.Towards the standardization of sequence stratigraphy.Earth-Science Reviews92,1–33.Johnson,J.G.,Murphy,M.A.,1984.Time-rock model for Siluro–Devonian continental shelf,western United States.Geological Society of America Bulletin95,1349–1359. Johnson,J.G.,Klapper,G.,Sandberg, C.A.,1985.Devonian eustaticfluctuations in Euramerica.Geological Society of America Bulletin96,567–587.Mitchum,R.J.,1977.Glossary of seismic stratigraphy.In:Payton,C.E.(Ed.),Seismic Stratigraphy—Applications to Hydrocarbon Exploration.American Association of Petroleum Geologists Memoir,vol.26,pp.205–212.100O.Catuneanu et al./Earth-Science Reviews94(2009)98–100。

Single defect centres in diamond-A review

Single defect centres in diamond-A review

phys. stat. sol. (a) 203, No. 13, 3207–3225 (2006) / DOI 10.1002/pssa.200671403© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim Review ArticleSingle defect centres in diamond: A reviewF. Jelezko and J. Wrachtrup *3. Physikalisches Institut, Universität Stuttgart, 70550 Stuttgart, GermanyReceived 9 February 2006, revised 28 July 2006, accepted 9 August 2006Published online 11 October 2006PACS 03.67.Pp, 71.55.–r, 76.30.Mi, 76.70.–rThe nitrogen vacancy and some nickel related defects in diamond can be observed as single quantum sys-tems in diamond by their fluorescence. The fabrication of single colour centres occurs via generation of vacancies or via controlled nitrogen implantation in the case of the nitrogen vacancy (NV) centre. The NV centre shows an electron paramagnetic ground and optically excited state. As a result electron and nuclear magnetic resonance can be carried out on single defects. Due to the localized nature of the electron spin wavefunction hyperfine coupling to nuclei more than one lattice constant away from the defect as domi-nated by dipolar interaction. As a consequence the coupling to close nuclei leads to a splitting in the spec-trum which allows for optically detected electron nuclear double resonance. The contribution discusses the physics of the NV and other defect centre from the perspective of single defect centre spectroscopy.© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim1 IntroductionThe ever increasing demand in computational power and data transmission rates has inspired researchers to investigate fundamentally new ways to process and communicate information.Among others, physicists explored the usefulness of “non-classical”, i.e. quantum mechanical systems in the world of information processing. Spectacular achievements like Shors discovery of the quantum factoring algorithm [1] or the development of quantum secure data communication gave birth to the field of quantum information processing (QIP) [2]. After an initial period where the physical nature of infor-mation was explored [3] and how information processing can be carried out by unitary transformation in quantum mechanics, researchers looked out for systems which might be of use as hardware in QIP. From the very beginning it became clear that the restrictions on the hardware of choice are severe, in particular for solid state systems. Hence in the recent past scientists working in the development of nanostructured materials and quantum physics have cooperated on different solid-state systems to define quantum me-chanical two-level system, make them robust against decoherence and addressable as individual units. While the feasibility of QIP remains to be shown, this endeavour will deepen our understanding of quan-tum mechanics and also marks a new area in material science which now also has reached diamonds as a potential host material. The usefulness of diamond is based on two properties. First defects in diamond are often characterized by low electron phonon coupling, mostly due to the low density of phonon states i.e. high Debye temperature of the material [4]. Secondly, colour centres in diamond are usually found to be very stable, even under ambient conditions. This makes them unique among all optically active solid-state systems.* Corresponding author: e-mail: wrachtrup@physik.uni-stuttgart.de3208 F. Jelezko and J. Wrachtrup: Single defect centres in diamond: A review© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim The main goal of QIP is the flexible generation of quantum states from individual two-level systems (qubits). The state of the individual qubits should be changed coherently and the interaction strength among them should be controllable. At the same time, those systems which are discussed for data com-munication must be optically active which means, that they should show a high oscillator strength for an electric dipole transition between their ground and some optically excited state. Individual ions or ion strings have been applied with great success. Here, currently up to eight ions in a string have been cooled to their ground state, addressed and manipulated individually [5]. Owing to careful construction of the ion trap, decoherence is reduced to a minimum [6]. Landmark experiments, like teleportation of quantum states among ions [7, 8] and first quantum algorithms have been shown in these systems [9, 10].In solid state physics different types of hardware are discussed for QIP. Because dephasing is fast in most situations in solids only specific systems allow for controlled generation of a quantum state with preservation of phase coherence for a sufficient time. Currently three systems are under discussion. Su-perconducting systems are either realized as flux or charge quantized individual units [11]. Their strength lies in the long coherence times and meanwhile well established control of quantum states. Main pro-gresses have been achieved with quantum dots as individual quantum systems. Initially the electronic ground as well as excited states (exciton ground state) have been used as definition of qubits [12]. Mean-while the spin of individual electrons either in a single quantum dot or coupled GaAs quantum dots has been subject to control experiments [13–15]. Because of the presence of paramagnetic nuclear spins, the electron spin is subject to decoherence or a static inhomogeneous frequency distribution. Hence, a further direction of research are Si or SiGe quantum dots where practically no paramagnetic nuclear spins play a significant role. The third system under investigation are phosphorus impurities in silicon [16]. Phospho-rus implanted in Si is an electron paramagnetic impurity with a nuclear spin I = 1/2. The coherence times are known to be long at low temperature. The electron or nuclear spins form a well controllable two-level system. Addressing of individual spins is planned via magnetic field gradients. Major obstacles with respect to nanostructuring of the system have been overcome, while the readout of single spins based on spin-to-charge conversion with consecutive detection of charge state has not been successful yet. 2 Colour centres in diamondThere are more then 100 luminescent defects in diamond. A significant fraction has been analysed in detail such that their charge and spin state is known under equilibrium conditions [17]. For this review nitrogen related defects are of particular importance. They are most abundant in diamond since nitrogen is a prominent impurity in the material. Nitrogen is a defect which either exists as a single substitutional impurity or in aggregated form. The single substitutional nitrogen has an infrared local mode of vibration Fig. 1 (online colour at: ) Schematic represen-tation of the nitrogen vacancy (NV) centre structure.phys. stat. sol. (a) 203, No. 13 (2006) 3209 © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim65070075080050010001500T =300KT =1.8K F l u o r e s c e n c e I n t e n s i t y ,C t s Wavelength,nm ZPL 637.2nmat 1344 cm –1. The centre is at a C 3v symmetry site. It is a deep electron donor, probably 1.7 eV below the conduction band edge. There is an EPR signal associated with this defect, called P1, which identifies it to be an electron paramagnetic system with S = 1/2 ground state [17]. Nitrogen aggregates are, most com-monly, pairs of neighbouring substitutional atoms, the A aggregates, and groups of four around a va-cancy, the B aggregate. All three forms of nitrogen impurities have distinct infrared spectra.Another defect often found in nitrogen rich type Ib diamond samples after irradiation damage is the nitrogen vacancy defect centre, see Fig. 1. This defect gives rise to a strong absorption at 1.945 eV (637 nm) [18]. At low temperature the absorption is marked by a narrow optical resonance line (zero phonon line) followed by prominent vibronic side bands, see Fig. 2. Electron spin resonance measure-ment have indicated that the defect has an electron paramagnetic ground state with electron spin angular momentum S = 1 [19]. The zero field splitting parameters were found to be D = 2.88 GHz and E = 0 indicating a C 3v symmetry of the electron spin wavefunction. From measurements of the hyperfine cou-pling constant to the nitrogen nuclear spin and carbon spins in the first coordination shell it was con-cluded that roughly 70% of the unpaired electron spin density is found at the three nearest neighbour carbon atoms, whereas the spin density at the nitrogen is only 2%. Obviously the electrons spend most of their time at the three carbons next to the vacancy. To explain the triplet ground state mostly a six elec-tron model is invoked which requires the defect to be negatively charged i.e. to be NV – [20]. Hole burn-ing experiments and the high radiative recombination rate (lifetime roughly 11 ns [21], quantum yield 0.7) indicate that the optically excited state is also a spin triplet. The width of the spectral holes burned into the inhomogeneous absorption profile were found to be on the order of 50 MHz [22, 23]. Detailed investigation of the excited state dephasing and hole burning have caused speculations to as whether the excited state is subject to a J an–Teller splitting [24, 25]. From group theoretical arguments it is con-cluded that the ground state is 3A and the excited state is of 3E symmetry. In the C 3v group this state thus comprises two degenerate substrates 3E x,y with an orthogonal polarization of the optical transition. Photon echo experiments have been interpreted in terms of a Jan Teller splitting of 40 cm –1 among these two states with fast relaxation among them [24]. However, no further experimental evidence is found to sup-port this conclusion. Hole burning experiments showed two mechanisms for spectral hole burning: a permanent one and a transient mechanism with a time scale on the order of ms [23]. This is either inter-preted as a spin relaxation mechanism in the ground state or a metastable state in the optical excitation-emission cycle. Indeed it proved difficult to find evidence for this metastable state and also number and energetic position relative to the triplet ground and excited state are still subject of debate. Meanwhile it seems to be clear that at least one singlet state is placed between the two triplet states. As a working hypothesis it should be assumed throughout this article that the optical excitation emission cycle is de-scribed by three electronic levels.Fig. 2 Fluorescence emission spectra of single NVcentres at room temperature and LHe temperatures.Excitation wavelength was 514 nm.3210 F. Jelezko and J. Wrachtrup: Single defect centres in diamond: A review© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim 3 Optical excitation and spin polarizationGiven the fact that the NV centre has an electron spin triplet ground state with an optically allowed tran-sition to a 3E spin triplet state one might wonder about the influence of optical excitation on the electron spin properties of the defect. Indeed in initial experiments no electron spin resonance (EPR) signal of the defect was detected except when subject to irradiation in a wavelength range between 450 and 637 nm[19]. Later on it became clear that in fact there is an EPR signal even in the absence of light, yet the signal strength is considerably enhanced upon illumination [26]. EPR lines showed either absorptive or emissive line shapes depending on the spectral position. This indicates that only specific spin sub-levels are affected by optical excitation [27]. In general a S = 1 electron spin system is described by a spin Hamiltonian of the following form: e ˆˆˆH g S SDS β=+B . Here g e is the electronic g -factor (g = 2.0028 ± 0.0003); B 0 is the external magnetic field and D is the zero field splitting tensor. This ten-sor comprises the anisotropic dipolar interaction of the two electron spins forming the triplet state aver-aged over their wave function. The tensor is traceless and thus characterized by two parameters, D and E as already mentioned above. The zero field splitting causes a lifting of the degeneracy of the spin sub-levels m s = ±1,0 even in the absence of an external magnetic field. Those zero field spin wave functions T x,y,z do not diagonalize the full high-field Hamiltonian H but are related to these functions by121212=x T T T ββαα-+-=-〉〉,121211y T T T ββαα-++=+〉〉,12120|.z T T αββα+=〉〉 The expectation value of S z for all three wave functions ,,,,||x y z z x y z T S T 〈〉 is zero. Hence there is no magnetization in zero external field. There are different ways to account for the spin polarization process in an excitation scheme involving spin triplets. To first order optical excitation is a spin state conserving process. However spin–orbit (LS) coupling might allow for a spin state change in the course of optical excitation. Cross relaxation processes on the other hand might cause a strong spin polarization as it is observed in the optical excitation of various systems, like e.g. GaAs. However, optical spectroscopy and in particular hole burning data gave little evidence for non spin conserving excitation processes in the NV centre. In two laser hole burning experiments data have been interpreted by assuming different zero field splitting parameters in ground and excited state exc exc (2GHz,0,8GHz)D E ªª by an otherwise spin state preserving optical excitation process [28]. Indeed this is confirmed by later attempts to gener-ate ground state spin coherence via Raman process [29], which only proves to be possible when ground state spin sublevels are brought close to anticrossing by an external magnetic field. Another spin polaris-ing mechanism involves a further electronic state in the optical excitation and emission cycle [30, 31]. Though being weak, LS coupling might be strong enough to induce intersystem crossing to states with different spin symmetry, e.g. a singlet state. Indeed the relative position of the 1A singlet state with re-spect to the two triplet states has been subject of intense debate. Intersystem crossing is driven by LS induced mixing of singlet character into triplet states. Due to the lack of any emission from the 1A state or noticeable absorption to other states, no direct evidence for this state is at hand up to now. However, the kinetics of photo emission from single NV centres strongly suggests the presence of a metastable state in the excitation emission cycle of the state. As described below the intersystem crossing rates from the ex-cited triplet state to the singlet state are found to be drastically different, whereas the relaxation to the 3A state might not depend on the spin substate. This provides the required optical excitation dependent relaxa-tion mechanism. Bulk as well as single centre experiments show that predominantly the m s = 0 (T z ) sublevel in the spin ground state is populated. The polarization in this state is on the order of 80% or higher [27].phys. stat. sol. (a) 203, No. 13 (2006) 3211 © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim4 Spin properties of the NV centreBecause of its paramagnetic spin ground and excited state the NV centre has been the target of numerous investigations regarding its magnetooptical properties. Pioneering work has been carried out in the groups of Manson [32–36], Glasbeek [37–39] and Rand [26, 40, 41].The hyperfine and fine structure splitting of the NV ground state has been used to measure the Aut-ler–Townes splitting induced by a strong pump field in a three level system. Level anticrossing among the m s = 0 and m s = –1 allows for an accurate measurement of the hyperfine coupling constant for the nitrogen nucleus, yielding an axially symmetric hyperfine coupling tensor with A || = 2.3 MHz and A ^ = 2.1 MHz [42, 43]. The quadrupole coupling constant P = 5.04 MHz. Because of its convenient access to various transitions in the optical, microwave and radiofrequency domain the NV centre has been used as a model system to study the interaction between matter and radiation in the linear and non-linear regime. An interesting set of experiments concerns electromagnetically induced transparency in a Λ-type level scheme. The action of a strong pump pulse on one transition in this energy level scheme renders the system transparent for radiation resonant with another transitions. Experiments have been carried out in the microwave frequency domain [44] as well as for optical transitions among the 3A ground state and the 3E excited state [29]. Here two electron spin sublevels are brought into near level anticrossing such that an effective three level system is generated with one excited state spin sublevel and two allowed optical transitions. A 17% increase in transmission is detected for a suitably tuned probe beam.While relatively much work has been done on vacancy and nitrogen related impurities comparatively little is known about defects comprising heavy elements. For many years it was difficult to incorporate heavy elements as impurities into the diamond lattice. Only six elements have been identified as bonding to the diamond lattice, namely nitrogen, boron, nickel, silicon, hydrogen and cobalt. Attempts to use ion implantation techniques for incorporation of transition metal ions were unsuccessful. This might be due to the large size of the ions and the small lattice parameters of diamond together with the metastability of the diamond lattice at ambient pressure. Recent developments in crystal growth and thin film technology have made it possible to incorporate various dopants into the diamond lattice during growth. This has enabled studies of nickel defects [45, 46]. Depending on the annealing conditions Ni can form clusters with various vacancies and nitrogen atoms in nearest neighbour sites. Different Ni related centres are listed with NE as a prefix and numbers to identify individual entities. The structure and chemical compo-k 23k 12k 31k 213A 3E 1AOptical excitation 3A 3E 1A z x,yz´x´y´k 23k 31a bFig. 3 a) Three level scheme describing the optical excitation and emission cycle of single NV centres. 3A and 3E are the triplet ground and excited state. 1A is a metastable singlet state. No information is at hand presently about the number and relative position of singlet levels. The arrows and k ij denote the rates of transition among the various states. b) More detailed energy level scheme differentiating between trip-let sublevels in the 3A and 3E state.3212 F. Jelezko and J. Wrachtrup: Single defect centres in diamond: A review© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim sition of defects have mostly been identified by EPR on the basis of the hyperfine coupling to nitrogen nuclei [46]. A particularly rich hyperfine structure has been identified for the NE8 centre.Analysis of the angular dependence of the EPR spectrum for the NE8 centre showed that this centre has electronic spin S = 1/2 and a g -value typical of a d -ion with more than half filled d -shell. The NE8 centre has been found not only in HPHT synthetic diamonds but also in natural diamonds which contain the nickel-nitrogen centres NE1 to NE3 [46]. The structure of the centre is shown in Fig. 4. It comprises 4 substitutional nitrogen atoms and an interstitial Ni impurity. The EPR signature of the system has been correlated to an optical zero phonon transition at around 794 nm. The relative integral intensity of the zero phonon line and the vibronic side band at room temperature is 0.7 (Debey–Waller factor) [47]. The fluorescence emission statistics of single NE8 emitters shows a decay to a yet unidentified metastable state with a rate of 6 MHz.5 Single defect centre experimentsExperiments on single quantum systems in solids have brought about a considerable improvement in the understanding of the dynamics and energetic structure of the respective materials. In addition a number of quantum optical phenomena, especially when light–matter coupling is concerned, have been investi-gated. As opposed to atomic systems on which first experiments on single quantum systems are well established, similar experiments with impurity atoms in solids remain challenging. Single quantum sys-tems in solids usually strongly interact with their environment. This has technical as well as physical consequences. First of all single solid state quantum systems are embedded in an environment which, for example, scatters excitation light. Given a diffraction limited focal volume usually the number of matrix atoms exceed those of the quantum systems by 106–108. This puts an upper limit on the impurity content of the matrix or on the efficiency of inelastic scattering processes like e.g. Raman scattering from the matrix. Various systems like single hydrocarbon molecules, proteins, quantum dots and defect centres have been analysed [48]. Except for some experiments on surface enhanced Raman scattering the tech-nique usually relies on fluorescence emission. In this technique an excitation laser in resonance with a strongly allowed optical transition of the system is used to populate the optically excited state (e.g. the 3E state for the NV centre), see Fig. 3a. Depending on the fluorescence emission quantum yield the system either decays via fluorescence emission or non-radiatively, e.g. via inter-system-crossing to a metastable Fig. 4 (online colour at: ) Structure of the NE8 cen-tre.phys. stat. sol. (a) 203, No. 13 (2006) 3213© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimF l u o r .I n t e n s i t y ,k C t s /s Excitation power,mW.state (1A in the case of the NV). The maximum numbers of photons emitted are given when the optical transition is saturated. In this case the maximum fluorescence intensity is given as312123F max 3123()=.2k k k I k k Φ++ Here k 31 is the relaxation rate from the metastable to the ground state and k 21 is the decay rate of the opti-cally excited state, k 23 is the decay rate to the metastable state and φF marks the fluorescence quantum yield. For the NV centre I max is about 107 photon/s. I max critically depends on a number of parameters. First of all the fluorescence quantum yield limits the maximum emission. A good example to illustrate this is the GR1 centre, the neutral vacancy defect in diamond. The overall lifetime of the excited state for this defect is 1 ns at room temperature. However, the radiative lifetime is on the order of 100 ns. Hence φF is on the order of 0.01. Given the usual values for k 21 and k 31 this yields an I max which is too low to allow for detecting single GR1 centres with current technology. Figure 5 shows the saturation curve of a single NV defect. Indeed the maximum observable emission rate from the NV centre is around 105 pho-tons/s which corresponds well to the value estimated above, if we assume a detection efficiency of 0.01. Single NV centres can be observed by standard confocal fluorescence microscopy in type Ib diamond. In confocal microscopy a laser beam is focussed onto a diffraction limited spot in the diamond sample and the fluorescence is collected from that spot. Hence the focal probe volume is diffraction limited with a volume of roughly 1 µm 3. In order to be able to detect single centres it is thus important to control the density of defects. For the NV centre this is done by varying the number of vacancies created in the sam-ple by e.g. choosing an appropriate dose of electron irradiation. Hence the number of NV centres de-pends on the number of vacancies created and the number of nitrogen atoms in the sample. Figure 7 shows an image of a diamond sample where the number of defects in the sample is low enough to detect the fluorescence from single colour centres [49]. As expected the image shows diffraction limited spots. From the image alone it cannot be concluded whether the fluorescence stems from a single quantum system or from aggregates of defects. To determine the number of independent emitters in the focal vol-ume the emission statistics of the NV centre fluorescence can be used [50–52]. The fluorescence photon number statistics of a single quantum mechanical two-level system deviates from a classical Poissoniandistribution. If one records the fluorescence intensity autocorrelation function 2()()=()t I t g t ΙττΙ+2〈()〉〈〉 for short time τ one finds g 2(0) = 0 if the emission stems from a single defect centre (see Fig. 6). This is due to the fact that the defect has to be excited first before it can emit a single photon. Hence a single defect never emits two fluorescence photons simultaneously, in contrast to the case when a number of independent emitters are excited at random. If one adopts the three level scheme from Fig. 3a, rate equa-tions for temporal changes of populations in the three levels can be set up. The equations are solved by 12(2)()=1(1)e e ,k k g K K τττ-++Fig. 5 Saturation curve of the fluorescence inten-sity of a single NV centre at T = 300 K. Excitationwavelength is 514 nm. The power is measured atthe objective entrance.3214F. Jelezko and J. Wrachtrup: Single defect centres in diamond: A review © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheimg (2)(τ)τ,nswith rates 1,2=k -P = k 21 + k 12 + k 23 + k 31 and Q = k 31(k 21 + k 12) + k 23(k 31 + k 12) with23231123112= .k k k k k K k k+-- This function reproduces the dip in the correlation function g 2(τ) for τ → 0 shown in Fig. 6, which indicates that the light detected originates from a single NV. The slope of the curve around 0τ= is de-terminded by the pumping power of the laser k 12 and the decay rate k 21. For larger times τ a decay of the correlation function becomes visible. This decay marks the ISC process from the excited triplet 3E to the metastable singlet state 1A. Besides the spin quantum jumps detected at low temperature the photon sta-tistics measurements are the best indication for detection of single centres. It should be noted that the radiative decay time depends on the refractive index of the surrounding medium as 1/n medium . Because n medium of diamond is 2.4 the decay time should increase significantly if the refractive index of the sur-rounding is reduced. This is indeed observed for NV centres in diamond nanocrystals [51]. It should beFig. 7 (onl ine col our at: ) Confocal fl uorescence image of various diamond sampl es with different electron irradiation dosages.Fig. 6 Fluorescence intensity autocorrelation function of a single NV defect at room temperature.phys. stat. sol. (a) 203, No. 13 (2006) 3215 © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheimnoted, that owing to their stability single defect centres in diamond are prime candidates for single pho-ton sources under ambient conditions. Such sources are important for linear optics quantum computing and quantum cryptography. Indeed quantum key distribution has been successful with fluorescence emis-sion from single defect centres [53].A major figure of merit for single photon sources is the signal to background ratio, given (e.g.) by the amplitude of the correlation function at 0τ=. This ratio should be as high as possible to ensure that a single bit of information is encoded in a single photon only. The NV centre has a broad emission range which does not allow efficient filtering of background signals. This is in sharp contrast to the NE8 defect which shows a very narrow, only 1.2 nm wide spectrum. As a consequence the NE8 emission can be filtered out efficiently [47]. The correlation function resembles the one from the NV centre. Indeed the photophysical parameters of the NV and NE8 are similar, yet under comparable experimental conditions the NE8 shows an order of magnitude improvement in signal-to-background ratio because of the nar-rower emission range.Besides application in single photon generation, photon statistical measurements also allow to derive conclusions on photoionization and photochromism of single defects. Most notably the NV centre is speculated to exist in two charge forms, the negatively charged NV with zero phonon absorption at 637 nm and the neutral from NV 0 with absorption around 575 nm [20, 54]. Although evidence existed that both absorption lines stem from the same defect no direct charge interconversion has been shown in bulk experiments. The best example for a spectroscopically resolved charge transfer in diamond is the vacancy, which exists in two stable charge states. In order to observe the charge transfer from NV to NV 0 photon statistical measurements similar to the ones described have been carried out, except for a splitting of photons depending on the emission wavelength [55]. This two channel set up allows to detect the emission of NV 0 in one and NV in another detector arm. Figure 8 shows the experimental result. For delay time 20,()g ττ= shows a dip, indicating the sub-Poissonian statistics of the light emitted. It should -300-200-10001002000,00,40,8g (2)(τ)τ,nsPhotonsDichroicBSStartNV 0Stop NV - Fig. 8 (online colour at: ) Fluorescence cross correlation function between the NV 0 and NV emission of a single defect.。

First-principles study of the structural, vibrational, phonon and thermodynamic

First-principles study of the structural, vibrational, phonon and thermodynamic

1. Introduction Ultra-high temperature ceramics (UHTCs) with melting temperatures in excess of 3000 K are usually composed by the refractory borides, carbides and nitrides of early transition metals [1–7]. Among the UHTCs, transition metal carbides (TMC) such as TiC, ZrC and HfC are metallic compounds with unique physical and chemical properties including an extremely high melting point and hardness, chemical stability, corrosion resistance combined with metallic electrical and thermal conductivities [5–10]. These features give transition metal carbides the capability to withstand high temperatures in oxidizing environments, making them candidates for applications in the atmosphere of extreme thermal and chemical environments [6,7]. The structural, vibrational, phonon and thermodynamic properties of IVb group transition metal carbides have been investigated experimentally [10–17] and theoretically [13,18–28] in the earlier reports. In the 1970s, the phonon dispersion relations of TiC, ZrC and HfC were measured using inelastic neutron scattering by Pintschovius et al. [10] and Smith et al. [15–17]. Lattice dynamics calculation and the phonon dispersion relations of transition metal carbides such as ZrC and HfC were reported using a phenomenological ‘‘double-shell’’ model theory [18] where long-range interatomic interactions were taken into account in order to get a

The impact of cosmic neutrinos on the gravitational-wave background

The impact of cosmic neutrinos on the gravitational-wave background
II. SECOND-ORDER GRAVITATIONAL WAVES
A.
Metric perturbations in the Poisson gauge
In this paper we consistently account for the presence of cosmic neutrinos to analyze their impact on the evolution of the second-order gravitational-wave background. At linear order it has been shown that there is a damping effect due to the anisotropic stress of free-streaming neutrinos that strongly affects the primordial gravitationalwave background on those wavelengths which enter the horizon during the radiation dominated epoch (at the level of 30%) [15, 16, 17, 18, 19, 20, 21] (see also Ref. [22]). At second order, along with the analogous damping effect, we find that free-streaming neutrinos are an important source for the second-order gravitational-wave background during the radiation-dominated epoch. We find completely new source terms, arising because of the fact that neutrinos give a relevant contribution to the total energy density during this epoch and they behave as ultrarelativistic collisionless particles after their decoupling: their high velocity dispersion acts as an extra source for the second-order gravitational waves. To compute such a contribution we evaluate the second-order tensor part of the neutrinos’ anisotropic stress tensor, that has been neglected so far. This is achieved by computing and solving the Boltzmann equation for neutrinos. Approximating the neutrino contribution as a perfect fluid of relativistic particles during the radiation era leads to a serious underestimate of their role. Let us stress that the new contribution is at least of the same order of magnitude as that computed by adopting a fluid treatment in the source of the scalar-induced gravitational waves. Moreover it has a clear physical interpretation. It arises in the Boltzmann equation from a “lensing” effect of the neutrinos as they travel through the inhomogeneities of the gravitational potential.

first-order inactivation kinetic model

first-order inactivation kinetic model

first-order inactivation kinetic model全文共四篇示例,供读者参考第一篇示例:一阶失活动力学模型是一种用于描述化学反应中物质失活过程的数学模型。

该模型假设失活过程的速率与反应物的浓度成正比,即当反应物的浓度减少时,失活过程的速率也会相应减少。

这种模型在许多化学领域中都有广泛的应用,特别是在药物研究和生物化学中。

一阶失活动力学模型可以用数学公式表示为:d[A]/dt = -k[A]其中d[A]/dt表示反应物的浓度随时间的变化率,k为失活速率常数,[A]为反应物的浓度。

根据这个模型,反应物浓度随时间的变化率与当前反应物浓度成正比,即反应物的失活速率与当前反应物浓度成一阶关系。

在实际应用中,一阶失活动力学模型通常用来描述生物体内某些药物的代谢过程。

一些药物在体内处于活性状态一段时间后会被代谢成无活性的代谢物,这种失活过程通常可以用一阶失活动力学模型进行描述。

通过测量药物在体内的浓度随时间的变化,可以确定失活速率常数k,进而评估药物的代谢速率和半衰期。

一阶失活动力学模型还可以应用于燃烧和化学工程领域。

在燃烧反应中,燃料的吸引速率通常遵循一阶动力学,燃烧速率随着燃料浓度的降低而减缓。

在化学反应工程中,一阶失活模型可以用来描述催化剂的活性随时间的变化,通过控制反应条件来延长催化剂的寿命。

一阶失活动力学模型是描述许多化学反应和生物代谢过程的重要工具。

通过对失活速率常数的测量和分析,可以更好地理解化学反应的动力学特性,从而优化反应条件和提高反应效率。

希望未来能够进一步完善一阶失活动力学模型,在更多领域得到广泛的应用和发展。

第二篇示例:首先我们先来了解一下什么是一阶失活动力学模型(first-order inactivation kinetic model)。

一阶失活动力学模型是一种描述生物活性物质与时间相关的失活过程的数学模型。

在这种模型中,失活速率与底物的浓度无关,而是只与时间有关。

Unit IV Electrophysiology Continued

Unit IV Electrophysiology Continued
• allows fine localization of sensation by cerebral cortex °fasciculus cuneatus -- consists of neurons with impulses arising from upper half of trunk, upper limbs and neck °fasciculus gracialis -- consists of neurons with impulses arising from lower trunk and lower limbs
• most pathways consist of a chain of 2-3 neurons • pathways exist as right/left pairs
Fig. 12.29, p. 466
Ascending (Sensory) Tracts
• conduct sensory impulses from general sensory receptors toward brain °from skin
*first-order sensory neurons are part of PNS *second- and third-order neurons are part of CNS
Specific Pathway: Dorsal Column Tracts
• first-order neuron enters via dorsal root and ascends dorsal column without synapsing °first-order neuron synapses with second-order neuron in medulla oblongata (in either nucleus cuneatus or nucleus gracilis)

名词简答整理

名词简答整理

增强子:是指能使与它连锁的基因转录频率明显增加的DNA序列。

它可以在启动子的上游,也可以在启动子的下游,绝大多数增强子具有组织特异性。

Operon:是细菌基因表达调控的一个完整单元,包含结构基因以及能够被调节基因产物所识别并结合的顺式作用元件。

朊病毒:是一种无免疫原性但能在细胞内复制、并能侵染动物的疏水性蛋白质。

致病途径具有自发性、遗传性和传染性三个特征。

C值矛盾:生物体进化程度高低与大C值不成明显相关(非线性);亲缘关系相近的生物大C值相差较大;一种生物内大C值与小c值相差极大。

RNAi:是由外源双链RNA产生的21~25nt小的干涉RNA而触发内生同源mRNA降解的过程,是一种转录后水平上的基因沉默机制。

RNA编辑:RNA编辑是指由RNA水平的核苷酸改变所引起的密码子发生变化的一种预定修饰,一种RNA编辑是以另一RNA为模板来修饰mRNA前体。

通过编辑,可以给mRNA前体添加新的遗传信息。

移码突变:由于缺失或插入而导致突变位点以后的三联体密码可读矿改变。

Transcription:是指以DNA为模板,在依赖于DNA的RNA聚合酶的催化下,以4种NTP(A TP、CTP、GTP和UTP)为原料,合成RNA的过程。

顺式作用元件:是指DNA上对基因表达有调节活性的某些特定的调控序列,其活性仅影响与其自身处于同一DNA分子上的基因。

分子伴侣:是结合其他不稳定蛋白质并稳定其构象的一类蛋白质。

通过与部分折叠的多肽协调性地结合与释放,分子伴侣促进了包括蛋白质折叠、寡聚体装配、亚细胞定位和蛋白质降解等多个过程。

转座子:是染色体或质粒上的一段独立的DNA序列,作为一个可以重组但不交换的遗传单元,能在原位保留其本身的情况下,从一个位点转移到另一个位点。

DNA复杂度:是DNA分子中无重复的核苷酸序列的最大长度。

负调控:阻遏蛋白结合在操作子位点,阻止基因的表达。

没有调节蛋白时操纵元内结构基因是表达的,而加入调节蛋白后结构基因的表达活性被关闭,这种调节称为负调节。

磁共振序列及技术

磁共振序列及技术

.自旋回波序列类SE(惯例自旋回波序列)(SpinEcho)(西门子也称SE)依据TR的TE的不一样组合,可获取T1加权像(T1WI),质子加权像(PDWI),T2加权像(T2WI)。

T1WI现正在宽泛使用于平常工作中,而PDWI和T2WI因扫描时间太长几乎完整被迅速SE代替。

2.FSE(迅速自旋回波序列)(FastSpinEcho)(欧洲厂家西门子和飞利浦以“turbo来”表示迅速,故称之为TSE(TurboSpinEcho))该序列的长处是(1)速度快,图像对照不降低,因此此刻特别在T2加权成像方面几乎已经完整代替了惯例SE序列而成为临床标准序列。

(2)与惯例SE序列相同,对磁场的不均匀性不敏感;该序列的弊端有(1)如收集次数不变,S/N有所降低,一般多次收集;(2)T2加权像上脂肪信号比惯例SE像更亮,显得有些发白,易对图像产生扰乱,解决的方法主假如用化学法或STIR序列进行脂肪克制;(3)当ETL>8此后,图像高频部分缺失,致使一种滤波效应产生模糊,常在相位编码方向上出现图像的细节丢掉;(4)RF射频能量的积蓄;(5)磁化转移效应等。

(单次发射迅速SE)(SingleshotFSERARE)(西门子称SS-TSE)(半傅里叶单发射迅速SE序列)(half-fourieracquisitionsingle-shotturbospin-echo)(西门子也称HASTE)该序列的有效回波时间可较短,比如80ms,提升了信噪比和组织对照。

HASTE序列应用愈来愈宽泛,除用于不可以配合检查的患者外,还因速度快,在腹部成像中应用许多。

如用于不可以平均呼吸又不可以屏气的病例,,磁共振胰胆管成像(MRCP)、磁共振尿路成像(MRU)、肝脏扫描中增添囊性病变与实性病变的对照、显示肠壁增厚和阻塞性肿块、肿块表面和肠壁受入侵状况、MR结肠造影等。

5.FRFSE (fastrecovery) (迅速恢复迅速自旋回波序列)(西门子为TSE-Restore)(1)在本质工作中,常常会碰到T2WI扫描时TR不可以降低,但扫描层次却较少的场合,比方脊柱,颈椎矢状位等,此时梯度的工作周期远未靠近100%,此时采纳FRFSE序列,减少TR,可提升工作效率,或改良图像质量(增添收集次数)。

zemax中文教程全

zemax中文教程全
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BOX 命令以 x1, y1 和 x2, y2 为对角位置绘制一个方框。X 和 Y 的单位和坐标系统与上面 TEXT 命令中的确定方法完全相同。 ELLIPSE x y rx ry ELLIPSE 命令以 x ,y 为中心,长半轴为 rx,短半轴为 ry 画椭 圆。如果 rx 与 ry 相同,或者 ry 省略,那么画出来的是一个半径为 rx 的圆。 在注释对话框中有几个按钮: OK:接受显示的注释并退出。 Cancle:恢复为原先的注释并退出。 SAVE:打开“保存为”对话框,可以按给定的文件名对注释进行 保存。 LOAD:打开装载对话框,可以选择装载文件。装载进来的文件 包含有注释。 RESET:清除编辑缓存。 HELP:在线帮助功能。 使用移动和缩放功能 任何图形窗口都可以被移动(左右上下移动)或者被缩放。要激 活移动和缩放功能,选择任意 ZEMAX 的图形窗口,在窗口任何位 置单击鼠标左键并持续按住 1/2 秒钟,这时光标将由箭头变为十字。 向右下方拖动鼠标,当出现的矩形框大小覆盖需要聚焦放大的区域 后,释放鼠标。选中的区域会放大到充满整个窗口,但是图形的纵横 比仍然保持不变。
4
对话框。单击鼠标右键也会弹出 solve 对话框。 图形窗口操作 图形窗口有一下菜单条: 刷新:这一功能根据现有设置重新计算在窗口中要显示的数据; 设置:激活控制这一窗口的对话框; 打印:打印窗口内容; 窗口:窗口菜单下有这些子菜单: 注释:详见“使用注释功能” ,注释下面的菜单有: 划线:在图形窗口中画一条直线; 文本:在图形窗口中创建并标注文字; 方框:在图形窗口中绘制方框; 编辑:允许对注释功能进行扩展编辑; 复制剪切板: 将窗口内容拷贝到 Windows 的剪切板。 下面的 部分有详细的解释: 输出:将显示的图形以 Windows Metafile,BMP 或者 JPG 的 格式输出。JPG 格式还支持高、中、低三种图像质量。中等图像质 量能够在保证图形质量的情况下,大大减小文件的尺寸。 锁定:如果“锁定”被选中,窗口会变为“静态”窗口,数 据不能被改变。被锁定窗口的内容可以被打印、可以拷贝到剪切板, 也可以存为一个文件。这一功能可以用于对不同镜头文件进行比较。 一旦窗口被锁定,就不能被刷新。因此,随后打开的任何新的镜头文 件可以与被锁定的窗口的数据进行对比分析。 如果窗口被锁定了, 就
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a rXiv:g r-qc/9655v11May1996To appear in Physical Review Letters First-order symmetric-hyperbolic Einstein equations with arbitrary fixed gauge Simonetta Frittelli ∗Department of Physics and Astronomy,University of Pittsburgh,Pittsburgh,PA 15260.Oscar A.Reula †‡FAMAF,Universidad Nacional de C´o rdoba,5000C´o rdoba,Argentina.(April 29,1996)We find a one-parameter family of variables which recast the 3+1Einstein equations into first-order symmetric-hyperbolic form for any fixed choice of gauge.Hyperbolicity considerations lead us to a redefinition of the lapse in terms of an arbitrary factor times a power of the determinant of the 3-metric;under certain assumptions,the exponent can be chosen arbitrarily,but positive,with no implication of gauge-fixing.04.20.Ex,04.25.Dm,04.20.-q The issue of setting up a well-posed initial-value formulation for general relativity has been studied with the help of varied strategies,including special gauges and higher-order formulations [1].Recently,a renewed interest [2]in the problem has arisen,in connection with the numerical evolution of the Einstein equations away from an initial hypersurface.Although the relevance of a manifestly hyperbolic formulation to the numerical integration of the Einstein equations is not yet clear,it is believed that a code tailored in a hyperbolic formulation would share properties of the exact system;namely,it would guarantee uniqueness and stability of solutions evolved from proper initial data.However,technical issues,associated with the discretization of the equations and the precision of the approximation,which may concern numerical stability,are not necessarily ruled out by a pure theoretical hyperbolic development.In regards to the manifest hyperbolicity of the Einstein equations,the relevance of gauge choices has long been a question open to consideration.The gauge freedom of 3+1general relativity is embodied by the lapse function and shift vector,which are completely arbitrary since their evolution is not determined by the theory.In general,a theory expressed in terms of equations on fields which admit gauge freedom may not admit a well-posed formulation unless improper gauge choices are ruled out,or the true gauge-invariant variables of the theory are found.A typical example is Maxwell’s theory;on the one hand,it admits a hyperbolic formulation at fixed gauge and in terms of gauge invariant variables as well;on the other hand,anomalous gauges can be found for which the resulting system does not have a well-posed initial-value formulation.Our intention is to give an explicit argument to rewrite the 3+1Einstein equations into a manifestly well-posed form,without the need of resorting to a choice of gauge.It has certainly been known that general relativity in special gauges can be set in symmetric hyperbolic form [3].Furthermore,it has recently been shown that,for certain special first-order variables,general relativity admits a symmetric hyperbolic formulation for arbitrary fixed gauge [4,5].Here we extend the existing results by showing that,under certain assumptions,there is a one-parameter family of newfirst-order variables for general relativity which satisfy first-order symmetric hyperbolic evolution for arbitrary but fixed choice of gauge.Several concepts of hyperbolicity (e.g.,strict,strong)can assert the well-posedness of a system of PDE’s.Among all different concepts,symmetric hyperbolicity is especially appealing,for the reason that most interesting physical systems admit a formulation of this type [6].Symmetric hyperbolicity is based on the symmetry properties of the differential operator [7];therefore,multiple eigenvalues,which usually occur due to the presence of symmetries,play no role,as opposed to the case of other types of hyperbolicity.The reason for the well-posedness in the symmetric-hyperbolic case is that the energy norm (an integral expression in terms of the fields)at later times can still be seen to be bounded by the norm at the initial time,because of cancellation of terms under integration by parts.The symmetry of the differential operator in the evolution equations guarantees the cancellation.In the following,we set up the problem of general relativity in the3+1formulation due to Arnowitt,Deser and Misner in a non-canonical(though widely used)choice of variables;i.e.,the intrinsic metric and the extrinsic curvature of the spatial hypersurfaces.We then redefine the variables in order to reduce the system tofirst order;the redefined variables depend on a set of parameters to befixed by hyperbolicity considerations.Finally,we use the argument of the cancellation of terms under integration by parts in the energy norm to determine the parameters.In the process, wefind that the lapse function must be redefined in terms of the determinant of the3-metric,without any loss of gauge freedom.In order tofix notation,we summarize some necessary points of the3+1formulation.The3+1splitting of the fully 4-dimensional formalism consists of a spacelike foliation by the level surfaces of a function t(x a).The unit normal form is n a=−N∇a t,where N is the lapse function.The unit normal vector is given by n a=−12£n h ab,and is also a3-tensor.The equations for the evolution of the intrinsic contravariant metric h ij and the extrinsic curvature K ij can be taken as(from[8],with the notation of Chapter10and Appendix E of[9])˙h ij=2NK ij−D i N j−D j N i(1)˙K ij=N R ij−2K ik K j k+K ij K−κ S ij−12(R+K2−K ij K ij)−κρ=0,(3)C i:=D j K ij−D i K−κJ i=0,(4) where J i is the mixed projection of T ab onto the hypersurface and the normal.If C and C i can be shown to be conserved as a consequence of(1)and(2),then the constraints only need to be imposed on an initial hypersurface. This will be our point of view in the following.Introduction of the parameters.In order to show that there exists a one-parameter family of variables for which general relativity takes afirst-order symmetric-hyperbolic form,wefirst introduce a set of four parameters,α,β,γand ǫ;we eventually require the parameters to satisfy a set of three algebraic conditions that guarantee the hyperbolicity. Two parameters,αandβ,are used to redefine variables as followsM ij k≡12hα h−αh ij ,k,where h is the determinant of h ij.Equations(5)and(6)can be inverted intoh ij,k≡2(M ij k−α3β+1h ij P,(8) with the notation M k≡h ij M ij k.A third parameter,γ,is introduced in the evolution equations to allow for a combination of(1)and(2)with the constraints(3)and(4).In this way,the principal part of the evolution equations(1)and(2)can be modified.The constraints(3)and(4)will be assumed to be conserved by the resulting equations.Sinceγplays a crucial role in the hyperbolicity of the system,in the following we point out its exact place in the evolution equations.The evolution equation for M ij k can be obtained by,first,taking a space derivative∂/∂x k of Eq.(1),and then tracing and combining the resultant equation according to the definition(5).We also add the vector constraint C i with an appropriate–uniquely determined–factor,obtaining the following:˙M ijk =1N≡ǫM k+(ln Q),k.(12)Since second derivatives of the lapse appear in(10),this redefinition allows for a modification of the principal terms in(10).Hyperbolicity imposed on the system.We define the energy norm of the system at time t asE(t)=1with Γk ij =−12h jl h kl ,i +13α+1δk (i M j )−α3α+1h ik h jl M k ,l +2β(α+1)−α3α+1h kl M k ,l .(16)The principal terms of (9)are the following:˙M ij k =N l M ij k ,l +N P ij ,k +α−β3β+1δ(ik h j )l P,l .(17)In view of (16)and (17),the cancellation under integration by parts in (14)takes place if the following algebraic conditions are imposed on the parameters α,β,γand ǫ:2α+13β+1+β+γ=0,(18b)2(β+γ)(α+1)−α3β+1−βǫ=0.(18c)Condition (18a)has the effect of the cancellation of the fourth and seventh terms in (16),even before their contribution to the energy is considered.This is done in this way,because the fourth term in (16)has no symmetric counterpart in(17)with respect to its contribution to the energy,and,therefore,needs to be eliminated from the system.Condition (18b)guarantees the cancellation,under integration by parts,of the sixth and ninth terms in (16),together with their symmetric counterpart,i.e.the fifth term in (17).Lastly,condition (18c)guarantees the symmetry of the fifth,eighth and tenth terms in (16)with the third term in (17),which subsequently make no contribution to ˙E.With the assumptions that Q >0,that h ij is positive definite,that the algebraic conditions (18)are met by the four parameters α,β,γand ǫ,and that the constraints C and C i are conserved,the fields (h ij ,M ij k ,P ij )satisfy a symmetric hyperbolic system of PDE’s,namely Eqs.(1),(9)and (10),with the initial data constrained by (3),(4)and (5).Notice that the conditions (18)leave free one of the four parameters.Any one of the parameters can be chosen freely,within a real range that allows for real values for the remaining three parameters as solutions of (18).For instance,if αis considered as the free parameter,then αcan take values in −∞,−1/2 ,while βmust be chosen as a root of the following quadratic equation:3β2+2β+(3α+1)(α+1)+1h ,andthe number of terms in the principal parts in Eqs.(16)and (17)reduces considerably.Regarding the propagation of the constraints,for γ=1it can be shown that the Bianchi equations imply a homogeneous symmetric hyperbolic evolution system for C and C i .It follows that the constraints are conserved.This case was explored earlier by theauthors,and has been found suitable for the development of a smooth newtonian limit[4]if certain gauge choices are imposed in addition to the well-posed formulation.Most remarkably,forγ=1the evolution of the constraints is not symmetric hyperbolic nor strictly hyperbolic,and the validity of the assumption of the conservation of the constraints must be studied carefully.The details will soon appear elsewhere.√Eq.(18a)shows that the exponent of[1]Many such works are quoted in the excellent review article by Y.Choquet-Bruhat and J.W.York,in General Relativityand Gravitation(Plenum,New York,1980)Vol.I,A.Held,ed.Thefirst departures fromfixed harmonic gauges or the corresponding maps for the characteristic initial value problem were done by H.Friedrich,Proc.Roy.Soc.A375,169 (1981).Later works include Y.Choquet-Bruhat and T.Ruggeri,Commun.Math.Phys.89,269(1983);H.Friedrich, Commun.Math.Phys.103,35(1986),and Commun.Math.Phys.107,587(1986);C.Bona and J.Masso,Phys.Rev.Lett.68,1097(1992);and[5]below.[2]A.Abrahams et al,Phys.Rev.Lett.75,3377(1995);C.Bona et al,Phys.Rev.Lett.75,600(1995).[3]Symmetric hyperbolic evolution in harmonic coordinates in general relativity wasfirst achieved by A.Fischer and J.Marsden,Commun.Math.Phys.28,1-38(1972).Spinorial arguments to obtain symmetric hyperbolic systems have been given by H.Friedrich;see references in[5].[4]S.Frittelli and O.A.Reula,Commun.Math.Phys.166,221(1994).[5]H.Friedrich Hyperbolic reductions for Einstein’sfield equations,Albert-Einstein-Institut preprint AEI-001(1996);to appearin Class.Quantum Grav.[6]R.Geroch,Partial Differential Equations of Physics,gr-qc/9602055.[7]R.Courant and D.Hilbert,Methods of Mathematical Physics(Interscience Publishers,New York-London,1962),Vol.II;F.John,Partial Differential Equations.(Applied Mathematical Sciences;1,4th Ed.(Springer-Verlag,New York,1982).[8]J.W.York,in Sources of Gravitational Radiation(Cambridge University Press,Cambridge,1979).[9]R.M.Wald,General Relativity(The University of Chicago Press,Chicago,1984).[10]x,Commun.P.App.Math.VIII,615(1955).[11]We take the standard definition of characteristics by R.Courant and D.Hilbert in Chapter VI of[7],p.581.[12]x,Hyperbolic systems of conservation laws and the mathematical theory of shock waves(SIAM,Philadelphia,PA,1973).。

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