基于COMPOSITE设计模式与XML实现变差函数模型的一致表达与存储

采用COMPOSITE设计模式表达复合变差函数的内存模型,为各种类型的变差函数模型实现了统一的访问接口,显著提高了核心代码的重用程度及系统的可维护性和扩展性。同时利用XML实现了变差函数模型的序列化和动态导入,不仅可以方便地记录模型信息,还可以清晰地展现模型的内部结构,为模型的评价分析、模型的对比选择以及相似地质背景下的复用提供了基础。     

Molecular motions and conformational transition between different conformational states of HIV-1 gp 120 envelope glycoprotein

The HIV-1 gp120 exterior envelope glycoprotein undergoes a series of conformational rearrangements while sequentially interacting with the receptor CD4 and coreceptor CCR5 or CXCR4 on the surface of host cells to initiate virus entry. Both the crystal structures of the HIV-1 gp120 core bound by the CD4 and antigen 17b and the SIV gp120 core pre-bound by CD4 are known. Despite the wealth of knowledge on these static snapshots of molecular conformations,the details of molecular motions involved in conformational transition that are crucial to intervention remain elusive. We presented comprehensive comparative analyses of the dynamics behaviors of the gp120 in its CD4-complexed,CD4-free and CD4-unliganded states based on the homology models with modeled V3 and V4 loops by means of CONCOORD computer simulation to generate ensembles of feasible protein structures that were sub-sequently analysed by essential dynamics analyses to identify preferred concerted motions. The re-vealed collective fluctuations are dominated by complex modes of combinational motions of the rota-tion/twisting,flexing/closure,and shortness/elongation between or within the inner,outer,and bridg-ing-sheet domains,and these modes are related to the CD4 association and HIV neutralization avoid-ance. Further essential subspace overlap analyses were performed to quantitatively distinguish the preference for conformational transitions between the three states,revealing that the unliganded gp120 has a greater potential to translate its conformation into the conformational state adopted by the CD4-complexed gp120 than by the CD4-free gp120,whereas the CD4-free gp120 has a greater potential to translate its conformation into the unliganded state than the CD4-complexed gp120 does. These dynamics data of gp120 in its different conformations are helpful in understanding the relationship between the molecular motion/conformational transition and the function of gp120,and in gp120-structure-based subunit vaccine design.     

积分中值定理中间点渐近性态的研究

对积分区间长度趋于零时，积分中值定理中间点的渐近性态作了近一步研究，得到一个更具一般性的新结果，并研究了当积分区间长度趋于无穷时积分中值定理中间点的渐近性态。     

弹性滚柱与刚性平面稳态滚动接触问题的边界元分析

用边界元法分析弹性滚柱与刚性平面的接触问题,需要采用迭代算法。文章在小变形、不计惯性力及摩擦力服从库仑摩擦定律的前提下,采用凝聚法计算大大缩短了迭代时间;针对边界元法中近边界点的几乎奇异积分,文中采用一种新的正则化技术,将奇异积分化为无奇异的规则积分与解析积分之和,成功地求解了滚柱内近边界点的力学参量。     

带粗糙核的多线性振荡奇异积分算子加权有界的判别准则

研究了带粗糙核的多线性振荡奇异积分算子加权有界性，利用Hardy-Littlewood极大函数和Stein—Weiss的变测度插值定理的方法，得到关于A^～p(R )权函数的判别准则，推广了已有的结果。     

MINDO/3级别上的最大重迭对称性分子轨道

建立了MINDO/3级别上的最大重迭对称性分子轨道计算方案 (MOSMO).并采用通常的半经验分子轨道方法MINDO/3级别中完全相同的参数方案,计算了各种分子的几何参数、电离能、能级等,所得结果与实验值及MINDO/3半经验分子轨道方法计算结果相符,说明提出的计算方案是可行的.同时,由于提出的计算方案过程简单,更易推广使用到从头算方法难以解决的大分子体系和超分子体系的结构和性质研究.     

影响圆盘剪带材剪切质量的因素分析

介绍了圆盘剪在设计、制造以及使用中影响圆盘剪精度的关键技术要点和主要技术参数：刀盘、侧隙、重叠量等,结合工作中的经验对圆盘剪关键点进行了分析和探讨,通过合理的设计、制造及使用方法使圆盘剪剪切出的带材质量合格、稳定,对相关设计、制造和使用具有积极的参考价值.     

双调和Abel—Poisson算子对Zygmund函数类的逼近

建立了双调和Abel—Poisson算子对Zygmund函数类的逼近度的渐近等式．     

Haar尺度函数下多分辨分析的鞅性及其在信号处理中的应用

该文将随机分析理论引入Ｈａａｒ尺度函数下的多分辨分析，证明了Ｈａａｒ尺度函数下多分辨分析的鞅性。在此基础上利用构造相应的停时对鞅做局部化的手法对原信号进行重构或去噪声。     

多点格林函数数值积分(费曼参数积分)的程序分析及应用

高能物理中的费曼参数积分是理论计算所必须解决的问题，同时也是长期以来困扰理论物理工作的主要难点．本针对近年来开发的费曼参数积分软件包LoopTools做一定的分析，介绍它的操作方法和工作原理，并用此软件包对一个复杂的过程进行计算．所引献在一定近似条件下得到了此过程反应截面的解析表达式，选取同样的近似条件时，结果与献的结果在误差区域内相吻合．