The properties and structures of the mono- and the di- vacancy in Cu crystal

The structures and energies of formation and migration of the mono- and di-vacancy in Cu crystal have been described and calculated with modified analytical embedded atom method (MAEAM). The lattice relaxation is considered with molecular dynamics (MD) method at T=0 K. The results show the FN di-vacancy is the most stable and likely occurs in practice from the energy minimization. Compared with the mono-vacancy, the formation energy of the FN di-vacancy is higher than that of a mono-vacancy, but lower than that of two isolated mono-vacancy. The preferred migration mechanism of the FN di-vacancy is multi-jump of either vacancy (rotating the di-vacancy). The calculated migration energy of the FN di-vacancy is lower than that of a mono-vacancy, so the FN di-vacancy is easier to migrate. All of the calculated results are in good agreement with the experimental values.     

Absorption Complex between Porphyrin and Phenothiazine in Reverse Micelles

Porphyrin derivatives attract much more interest in photodynamic therapy (PDT). Their importance as therapeutic drugs and targeting agents has been widely recognized1, and many of the efforts have been put towards crafting new porphyrin-based molecular entities to achieve enhanced tumor localization, better tissue penetration and increased singlet oxygen quantum yield2. The states of porphyrins in tissue models such as micelles, lipid bilayers are extensively investigated focusing more or l…     

Global Existence and Exponential Stability of Smooth Solutions to a Full Hydrodynamic Model to Semiconductors

 We study a full hydrodynamic semiconductor model in multi-space dimension. The global existence of smooth solutions is established and the exponential stability of the solutions as is investigated. Received November 14, 2000; in revised form March 25, 2002 Published online August 5, 2002     

准二维无序系统的电子结构

对形如N_t×N_l型准二维无序系统，只考虑格点之间的最近邻跳跃积分，采用特殊的格点编号方案，在单电子近似下，系统的哈密顿量可表示为简明对称矩阵，借助豪斯荷尔德变换将其约化为对称三对角矩阵，再利用负本征值理论及传输矩阵等方法,对系统态密度、局域长度及电导等电子结构特性进行数值计算. 重点研究了准一维四平行链和五平行链无序系统， 将结果与一维单链、准一维双链及三链系统进行对比，发现随维度的增加，系统的能带有所展宽，能态密度分布发生很大的变化，其峰值数量呈偶数规律增加. 并且在能带中心处存在有局域长度大于系统大小的扩展态，处于这些态下的系统具有较大电导. 从单链到多链，相当于扩大了系统的关联范围，使系统出现了类似非对角长程关联的行为. 关键词： 准二维无序系统 态密度 局域长度 电导     

空气中水含量的计算及其在色谱分析中的应用

本文介绍了空气中水含量的计算式并编制了空气中的水含量表。实验证明,表上的数据适用于色谱分析。     

HIRFL注入器PIG离子源的研制

本文介绍了兰州重离子加速器(HIRFL)的注入器(SFC)所用PIG离子源的研制和改进工作,使用新研制的PIG源,已在注人器SFC上获得了5μA的O_(16)~(5+)及10μA的C_(16)~(4+)的离子束。     

西咪替丁的应用进展

综述了近年来国内外报道的H2受体抗拮剂－西咪替丁应用于除治疗消化性溃疡以外的其他疾病的进展情况，以其为临床用药提供参考。     

Measurements of the perpendicular width of ionization-produceddouble layers

Measurements of the perpendicular (to B) double-layer widths of ionization-produced (anode) double layers are presented. These widths were determined from measurements of the double-layer charge separations. The variations of the transverse-to-B widths with plasma density and magnetic field strength are given     

约束装箱问题的混合遗传算法求解

本将最佳适应法和遗传算法相结合，提出了一种新的启发式混合遗传算法对具有时间约束的装箱问题进行求解，给出了具体的算法步骤，试算结果表明基于启发式算法的混合遗传算法适合于求解各种约束条件下的大规模装箱问题。