Quantitative surface analysis by Auger and x-ray photoelectron spectroscopy

Recent developments in quantitative surface analysis by Auger (AES) and x-ray photoelectron (XPS) spectroscopies are reviewed and problems relating to a more accurate quantitative interpretation of AES/XPS experimental data are discussed. Special attention is paid to consideration of elementary physical processes involved and influence of multiple scattering effects on signal line intensities. In particular, the major features of core-shell ionization by electron impact, Auger transitions and photoionization are considered qualitatively and rigorous approaches used to calculate the respective transition probabilities are analysed. It is shown that, in amorphous and polycrystalline targets, incoherent scattering of primary and signal Auger and photoelectrons can be described by solving analytically a kinetic equation with appropriate boundary conditions. The analytical results for the angular and energy distribution, the mean escape depth, and the escape probability as a function of depth of origin of signal electrons as well as that for the backscattering factor in AES are in good agreement with the corresponding Mote Carlo simulation data. Methods for inelastic background subtraction, surface composition determination and depth-profile reconstructions by angle-resolved AES/XPS are discussed. Examples of novel techniques based on x-ray induced photoemission are considered.     

无脂链磺化酞菁铜多层膜体系：电子非弹性平均自由程的研究

磺化酞菁铜多层膜体系是利用Langmuir-Blodgett技术制备的有序有机分子膜,它对于XPS测试有很好的稳定性,本文在固定电子出射角的条件下利用XPS方法研究了不同厚度的膜样品中Cu_((2(?))_(3/2))、Ni_(1(?))、S_(2p)峰强度的变化规律,讨论了膜内分子有序排列引起的散射效应对电子平均自由程的影响。     

The de novo design of median molecules within a property range of interest

Summary In this paper an application is presented of the median molecule workflow to the de novo design of novel molecular entities with a property profile of interest. Median molecules are structures that are optimised to be similar to a set of existing molecules of interest as an approach for lead exploration and hopping. An overview of this workflow is provided together with an example of an instance using the similarity to camphor and menthol as objectives. The methodology of the experiments is defined and the workflow is applied to designing novel molecules for two physical property datasets: mean molecular polarisability and aqueous solubility. This paper concludes with a discussion of the characteristics of this method.     

Electric-field-driven deracemization.

We demonstrate, both theoretically and experimentally, that it is possible to use an electric field to drive the formation of macroscopic chiral (conglomerate) domains from an initially homogeneous fluid racemate. Field-induced segregation is exhibited in a fluid smectic liquid-crystal phase of a racemic mesogen, wherein enantiomerically-enriched domains are readily identifiable by their chiral electro-optical response. The sharp field-generated boundaries that form between opposite-handed domains broaden by diffusion in the absence of field, but reform rapidly if the field is switched on again, providing unambiguous evidence for the field-driven physical separation of enantiomers. A mean-field model successfully describes the steady-state and the dynamic evolution of conglomerate formation.     

On the population monotonicity of independent set games

An independent set game is a cooperative game dealing with profit sharing in the maximum independent set problem. A population monotonic allocation scheme is a rule specifying how to share the profit of each coalition among its participants such that every participant is better off when the coalition expands. In this paper, we provide a necessary and sufficient characterization for independent set games admitting population monotonic allocation schemes. Moreover, our characterization can be verified efficiently.     

带有随机初值的复值Ginzburg-Landau方程的弱平均动力学*

本文研究了无界域上的带有随机初值的复值Ginzburg-Landau方程.首先, 基于解过程的全局适定性, 建立了带有随机初值的Ginzburg-Landau方程的平均随机动力系统.然后, 证明了弱拉回平均随机吸引子的存在唯一性以及随机吸引子的周期性,并将其进一步推广到加权空间L²(?, L²_σ(R)).     

煤炭码头船货匹配下泊位动态分配多目标优化模型及算法

本文针对输出型煤炭码头船货匹配下泊位动态分配问题,构建了堆场-取装线-泊位-船舶联合分配优化数学模型,并设计了采用仿真推演策略解码的遗传算法求解。首先,综合考虑船舶、泊位、堆场、取装线、煤种、航道开放时间和装船作业规则等要素,以船舶在港时间最短和作业效率最大为目标建立了相应的多约束多目标优化模型。然后,综合多目标优化、遗传算法以及仿真推演技术,设计了相应的遗传算法求解,包括:组合式编码、采用仿真推演策略的解码方法,追加了具有合法性检查的染色体生成算法,设计了采用多种策略的遗传操作等。最后实例表明,本算法的执行效率高而且优化效果好。     

Estimation of a quantile in some nonstandard cases

A necessary condition for the asymptotic normality of the sample quantile estimator isf(Q(p))=F(Q(p))>0, whereQ(p) is thep-th quantile of the distribution functionF(x). In this paper, we estimate a quantile by a kernel quantile estimator when this condition is violated. We have shown that the kernel quantile estimator is asymptotically normal in some nonstandard cases. The optimal convergence rate of the mean squared error for the kernel estimator is obtained with respect to the asymptotically optimal bandwidth. A law of the iterated logarithm is also established.This research was partially supported by the new faculty award from the University of Oregon.     

The diagnonal multivariate natural exponential families and their classification

A natural exponential family (NEF)F in ? ⁿ ,n>1, is said to be diagonal if there existn functions,a ₁,...,a _n , on some intervals of ?, such that the covariance matrixV _F (m) ofF has diagonal (a ₁(m ₁),...,a _n (m _n )), for allm=(m ₁,...,m _n ) in the mean domain ofF. The familyF is also said to be irreducible if it is not the product of two independent NEFs in ? ^k and ? ^n-k , for somek=1,...,n?1. This paper shows that there are only six types of irreducible diagonal NEFs in ? ⁿ , that we call normal, Poisson, multinomial, negative multinomial, gamma, and hybrid. These types, with the exception of the latter two, correspond to distributions well established in the literature. This study is motivated by the following question: IfF is an NEF in ? ⁿ , under what conditions is its projectionp(F) in ? ^k , underp(x ₁,...,x _n )∶=(x ₁,...,x _k ),k=1,...,n?1, still an NEF in ? ^k ? The answer turns out to be rather predictable. It is the case if, and only if, the principalk×k submatrix ofV _F (m ₁,...,m _n ) does not depend on (m _k+1,...,m _n ).     

Characterizations based on conditional expectations of the doubled truncated distribution

The expression of the continuous distribution function F(x) is obtained whenever % MathType!MTEF!2!1!+-% feaafeart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn% hiov2DGi1BTfMBaeXafv3ySLgzGmvETj2BSbqefm0B1jxALjhiov2D% aebbfv3ySLgzGueE0jxyaibaiGc9yrFr0xXdbba91rFfpec8Eeeu0x% Xdbba9frFj0-OqFfea0dXdd9vqaq-JfrVkFHe9pgea0dXdar-Jb9hs% 0dXdbPYxe9vr0-vr0-vqpWqaaeaabiGaciaacaqabeaadaqaaqGaaO% qaaerbhv2BYDwAHbacfiGaa8xBaiaabIcacaWG4bGaaiilaiaadMha% caqGPaGaa8hiaiaab2dacaWFGaGaa8xraiaa-HcacaWFybGaa8hiai% aa-XhacaWFGaGaa8hEaiaa-bcacqGHKjYOcaWFGaGaa8hwaiaa-bca% cqGHKjYOcaWFGaGaa8xEaiaa-Lcaaaa!53EE!\[m{\rm{(}}x,y{\rm{)}} {\rm{ = }} E(X | x \le X \le y)\]is known. Moreover, we obtain the necessary and sufficient conditions so that any function m: ² is the conditional expectation % MathType!MTEF!2!1!+-% feaafeart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn% hiov2DGi1BTfMBaeXafv3ySLgzGmvETj2BSbqefm0B1jxALjhiov2D% aebbfv3ySLgzGueE0jxyaibaiGc9yrFr0xXdbba91rFfpec8Eeeu0x% Xdbba9frFj0-OqFfea0dXdd9vqaq-JfrVkFHe9pgea0dXdar-Jb9hs% 0dXdbPYxe9vr0-vr0-vqpWqaaeaabiGaciaacaqabeaadaqaaqGaaO% qaaiaadweacaGGOaGaamiwaerbhv2BYDwAHbacfiGaa8hiaiaacYha% caWFGaGaa8hEaiaa-bcacqGHKjYOcaWFGaGaa8hwaiaa-bcacqGHKj% YOcaWFGaGaa8xEaiaacMcaaaa!4D0D!\[E(X | x \le X \le y)\]of a random variable X with continuous distribution function. Furthermore, we relate m(x,y) to order statistics.