He-HCl体系各向异性势及分波散射截面的理论研究

首先用BFW势函数形式拟合了在CCSD(T)/aug-cc-pVQZ理论水平下计算的He-HCl相互作用能数据，获得了He原子与HCl分子相互作用的各向异性势；然后采用CC近似方法计算了He-HCl碰撞体系的微分散射截面和分波散射截面，并总结了分波散射截面的变化规律.结果表明，拟合势不但表达形式简洁，而且较好地描述了He-HCl系统相互作用的各向异性特征；利用碰撞体系分子间势的量子化学从头计算结果，可解决势能参数难以确定的问题.对进一步研究原子与分子碰撞机理有一定参考价值. 关键词： 各向异性势 势能参数 密耦近似 分波散射截面     

基于扩散势能和自由体积的自扩散系数模型

在考虑自由体积和局部临界扩散势能的基础上,提出一种新的计算自扩散系数模型,并给出新模型中各个因子物理含义．同时还提出一种计算局部临界扩散势能的新方法,并应用于新模型．另外将衍生van der Waals状态方程应用于求解自由体积,式中所需径向分布函数由Morsali-Goharshadi方程得到．在相同条件下,新模型比原自由体积模型更准确．     

“后配额时代”中国纺织品服装出口预测

本文利用单整自回归移动平均模型,依据2000年1月至2004年12月中国纺织品服装出口额数据,对2005年和2006年中国纺织品服装出口走势进行预测分析。     

Atomistic packing models for experimentally investigated swelling states induced by CO2 in glassy polysulfone and poly(ether sulfone)

Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO₂ gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006     

Transversal-Free Translation Nets

Translation planes of order q ² containing non-Desarguesian Baer subplanes are used to construct transversal-free translation nets with very small deficiencies. Also, a generalization of the ideas of Bruen shows that any non-Desarguesian spread in PG(3, q) produces a transversal-free net of small deficiency.     

On CCE graphs of doubly partial orders

Let D be a digraph. The competition-common enemy graph (CCE graph) of D has the same set of vertices as D and an edge between vertices u and v if and only if there are vertices w and x in D such that (w,u), (w,v), (u,x), and (v,x) are arcs of D. We call a graph a CCE graph if it is the CCE graph of some digraph. In this paper, we show that if the CCE graph of a doubly partial order does not contain C₄ as an induced subgraph, it is an interval graph. We also show that any interval graph together with enough isolated vertices is the CCE graph of some doubly partial order.     

E*-酉范畴逆半群的结构

本文通过定义本原逆半群在集合上的部分作用及其整体化,给出了E*-酉范畴逆半群的结构．     

HIGH ACCURACY FINITE VOLUME ELEMENT METHOD FOR TWO-POINT BOUNDARY VALUE PROBLEM OF SECOND ORDER ORDINARY DIFFERENTIAL EQUATIONS

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Some Invariance Principles for Random Vectors in the Generalized Domain of Attraction of the Multivariate Normal Law

For independent identically distributed random vectors belonging to the generalized Domain of Attraction of the multivariate normal law, we define two partial sum processes analogous to that of Donsker's Theorem. We prove that each converges in distribution to a Brownian Motion in the space of continuous functions. One process uses nonrandom operator normalization, and the other is a studentization of the first, using normalization by the empirical covariance operator.     

有限体积KFVS方法在二维溃坝中的应用

本文采用了基于KFVS格式的有限体积方法 (FVM)求解了控制水流运动的二维浅水方程 ,建立了二维水坝瞬间溃坝的洪水演进模型 .并应用此模型模拟了二维非对称溃坝和对称溃坝情形下坝左下角有障碍物时的洪水波演进过程 .模拟结果表明该数学模型对二维浅水运动的模拟很有效 .