三级近似束流光学计算程序

为了精确计算束流在离子光学系统中的传输,用Visual FORTRAN 6.5语言编写了一个计算程序,长约13000行. 此程序可以计算由三圆筒单透镜、三膜片单透镜、双元筒透镜、均匀场静电加速管、磁四极透镜、六极磁铁、静电四极透镜、偏转磁铁、螺线管透镜、ExB~正交电磁场分析器、静电偏转器、漂浮管、QWR(Quarter Wave Resonators)和SLR(Split Loop Resonators)射频加速元件等元件任意组成的离子光学系统. 粒子轨迹的计算可精确到三级近似. 粒子的分布类型也可以有多种选择. 程序具有最优化计算功能,即可以自动调整元件的参数,以实现所需要的光学条件. 各元件之后的横向和纵向相图以及系统的束流包络线以图形方式显示在屏幕上.     

Postmodification of poly(9‐alkyl‐9H‐carbazole‐2,7‐diyl)s as a route to new main‐chain‐functionalized carbazole polymers

The postmodification of poly[9‐(2‐hexyldecyl)‐9H‐carbazole‐2,7‐diyl] ( P1 ) upon its reaction with N‐bromosuccinimide affords exclusive and full bromination of the 3,6‐positions of the carbazole repeat units to yield poly[3,6‐dibromo‐9‐(2‐hexyldecyl)‐9H‐carbazole‐2,7‐diyl] ( P2 ). Brominated polymer P2 can be used as a precursor for further functionalization at the 3,6‐positions with the desired functional group to afford other useful polymers. Polymer P2 has hence been reacted with copper(I) cyanide to afford poly[3,6‐dicyano‐9‐(2‐hexyldecyl)‐9H‐carbazole‐2,7‐diyl] ( P3 ). Full substitution of the bromide groups with nitrile‐functional groups has been achieved. The preparation and structural characterization of polymers P2 and P3 are presented together with studies on their electronic conjugation and photoluminescence properties. Cyclic voltammetry studies on polymer P3 indicate that the new polymer is easier to reduce (n‐dope) but more difficult to oxidize than its unsubstituted counterpart ( P1 ) as a result of the introduction of the electron‐withdrawing nitrile‐functional groups at the 3,6‐positions on the carbazole repeat units on the polymer chains. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3336–3342, 2006     

Dependence of calculated electron effective attenuation lengths on transport mean free paths obtained from two atomic potentials

We report changes in electron effective attenuation lengths (EALs) resulting from use of transport mean free paths (TMFPs) obtained from the Dirac–Hartree–Fock (DHF) potential instead of the Thomas–Fermi–Dirac (TFD) potential in an algorithm used in the National Institute of Standards and Technology (NIST) Electron Effective‐Attenuation‐Length Database (SRD 82). TMFPs from the former potential are believed to be more reliable than those obtained from the latter potential. We investigated changes in the EALs for selected photoelectron and Auger‐electron lines in four elemental solids (Si, Cu, Ag, and W), for Si 2p photoelectrons of varying energy in SiO₂, and for photoelectrons excited by Al Kα X rays in four candidate gate‐dielectric materials (HfO₂, ZrO₂, HfSiO₄, and ZrSiO₄). For each material, we computed the change in the average EAL for a range of overlayer‐film thicknesses from zero to a maximum value corresponding to attenuation of the substrate signal to 10% of its original value. This EAL change was a maximum for electrons emitted normally from the surface and decreased monotonically with increasing emission angle. The maximum EAL change varied between ?4.4% and 2.6% for the three groups of materials. We found that the maximum EAL change correlated mainly with the TMFP change. We found that TMFP changes in other solids could generally lead to maximum EAL changes between ?2.6% and 1.9% for electron energies between 500 and 2000 eV. For lower energies, the maximum EAL changes could be larger for some solids. Our revised EALs for Si 2p photoelectrons in SiO₂ excited by Mg and Al Kα X rays agree within 0.5% with values reported by Seah and Spencer from a detailed analysis of SiO₂ film‐thickness measurements by XPS and other techniques. Copyright © 2006 John Wiley & Sons, Ltd.     

Kinetic limit of a conservative lattice gas dynamics showing long-range correlations

An anisotropic lattice gas dynamics is investigated for which particles on ^d jump to empty nearest neighbor sites with (fast) rate ^–2 in a specified direction and some particular configuration-dependent rates in the other directions. The model is translation and reflection invariant and is particle conserving. The space coordinate in the fast-rate direction is rescaled by ^–1. It follows that the density field converges in probability, as 0, to the corresponding solution of a nonlinear diffusion-type equation. The microscopic fluctuations about the deterministic macroscopic evolution are determined explicitly and it is found that the stationary fluctuations decay via a power law (1/r ^d ) with the direction dependence of a quadrupole field.     

On the Snider equation

We study the physical content of the Snider quantum transport equation and the origin of a puzzling feature of this equation, which implies contradictory values for the one-particle density operator. We discuss in detail why the two values are in fact not very different provided that the studied particles have sufficiently large wave packets and only a small interaction probability, a condition which puts a limit on the validity of the Snider equation. In order to improve its range of application, we propose a reinterpretation of the equation as a mixed equation relating the real one-particle distribution function (on the left-hand side of the equation) to the free distribution (on the right-hand side), which we have introduced in a recent contribution. In its original form, the Snider equation is valid only when used to generate Boltzmann-type equations where collisions are treated as point processes in space and time (no range, no duration); in this approximation, virial corrections are not included, so that the real and free distributions coincide. If the equation is used beyond this approximation to generate nonlocal and density corrections, we conclude that the results are not necessarily correct.     

Current distribution on a three-dimensional,bond-diluted,random-resistor network at the percolation threshold

Current and logarithm-current distributions on a three-dimensional random-bond percolation cubic network were studied at the percolation threshold by computer simulations. Predictions of a hierarchical model that combine fractal structure and randomness agree with our numerical simulations. In the thermodynamic limit the logarithm-current distribution exhibits ann(ln(i))i ^1/3 dependence below some characteristic currenti _c. This distribution may scale with lni/lnL, but the data are insufficient to make this a definite conclusion. Due to the small range of lnL considered, a study of the moments does not reveal this behavior and a study of the distribution itself is required.     

Relationships between characteristics in periodic Poisson queues

We study single server periodic queues in the day equilibrium conditions. The following characteristics of interest are considered at time of dayt: V^p(t)-the work load, L^p(t)-the number of customers and u^p(t)-the departure rate. We give relationships between E[V^p(t)], E[L^p(t)] and u^p(t). We also prove that E[V^p(t)] < and E[L^p(t)] < provided the second moment of the service time is finite.     

Slow quenching for a one-dimensional kinetic Ising model: Residual energy and domain growth

A one-dimensional kinetic Ising model with Glauber dynamics subjected to a slow continuous quench to zero temperature is studied. For a rather general class of cooling schemes, described by a time-dependent temperatureT(t), the mean domain sizeL(t) is calculated along with the residual energye _res (r) as a function of the cooling rater. If the attempt frequency =₀ exp(–/kT), entering into the transition rates, is temperature dependent (i.e., the barrier is non-zero), the asymptotic growth ofL(t) is given byL()–L(t)~exp[–/kT(t)]. For this case the residual energy exhibits a power-law behaviore _res(r) ~r ^{/2(1 + )} forr small, where =4J/ andJ is the nearest neighbor coupling constant. For =0 and for certain cooling schemes the residual energy is zero andL(t)~t1/2, independent ofr.     

粒径和流速对吸附速率的影响

本文主要考察了吸附剂的粒径大小及动态循环时流速大小对吸附速率的影响，根据膜扩散限制和孔隙扩散限制的理论模型对其影响作了定量描述。     

椭圆法用于阳极溶出伏安法测定微量银

用新物理量Ｖｏｐ的椭圆法对阳极溶出伏安法分析的含银离子浓度为１０＾５－１０＾－９ｍｏｌ／Ｌ的一系列溶液进行了研究。结果表明：光学方法与电化学方法所得分析结果相同；椭圆法可检测的浓度下限比电化学方法低一个数量级以上。而且测量的相对平均偏差也小于电化学方法。