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The interatomic potentials are very important in the computer simulation of condensed matters, especially for their properties and evolution processes based on molecular dynamics and Monte Carlo method. The choice of interatomic potentials affects the results greatly, which depends on the types of interaction, e.g.

原子间相互作用势是凝聚态物质在原子尺度上进行计算机模拟的基础，特别是用分子动力学和Monte Carlo方法对凝聚态物质的性质和过程进行模拟时，合适的原子间相互作用势是得到有意义的结果的前提和条件。

The results showed that the biological activities are closely related to the steric conformation and distribution of electrostatic potential of carboxyl group: The coplanatity between the group of C-3 position and the parent nucleus and the coplanatity between the group of C-3 position and C-4 keto group are very important for biological activities.

结果发现该类药物的抗菌活性与C 3位的空间构象和静电势分布有着紧密的联系。C-3位羧基与C-4位酮基共面性、以及它和母核共面性对抗菌活性十分重要，C-3位两个氧原子周围较强的负静电势也是影响活性的重要因素。

In the impulse barrier penetration problem, we use the set of rules of constructing the semiclassical green function to obtain the transmission coefficient which is identical to the results evaluated via standard methods.

在脉冲型势垒的透射问题中，我们利用前面提到的求解体系格林函数的规则，得到了脉冲性势垒的透射系数，数值分析表明与用标准的量子力学方法得到的结果相一致。

The eco-physiological characteristics of drought endurance of Pinus sylvestris var.mongolica were studied under different climatic regions, soil water and leaf water condition.Furthemore,the response and adaptability of trees to water stress was done.The below showed the results. 1 The parameters of drought endurance of P. sylvestris var. mongolica was measure and studied by PV technology in the subhumid, semiarid and arid regions The results indicated the osmotic potentials at water saturation condition and at the initial loss turgor decreased as the climatic drought degree increased,and related linearly with the climatic moisture index.It was proved that the drought endurance of P. sylvetris var. mongolica was varible and the elevation of the osmotic adjust capability was a main way to the adaptation of trees to the drought climatic environment.

本文研究了樟子松(Pinus sylvestris var.mongolica)的主要耐旱生理生态特征在不同地区、不同土壤水分状况和叶水分状况下的变化，进而研究了樟子松对水分胁迫的反应和适应，结果如下： 1 应用 PV 技术对半湿润区、半干旱区和干旱区樟子松耐旱性指标测定研究指出，水饱和总体渗透势和初始失膨点总体渗透势随着气候干旱程度增加而增加，与气候湿度指标呈直线相关，证明了樟子松属于耐旱性可变的树种，渗透调节能力增加是其对干旱气候适应的主要途径。

In the symplectic geometry space, which consist of the original variables, the displacement, electric potential, magnetic potential, and their duality variables, lengthways shearing stress, electric displacement and magnetic flux, the magnetoelectroelastic solids problems are led into symplectic solution system, so the effective methods of mathematical physics like the separation of variables and symplectic eigenfunction expansion can be employed to solve the problem.

在由原变量-位移、电势和磁势以及它们的对偶变量-纵向的剪应力、电位移和磁感应强度分量组成的辛几何空间，将电磁弹性固体问题导入辛求解体系，从而使有效的数学物理方法如分离变量法及辛本征向量展开法可以用于该问题的求解。

ZHOU Zhangjian（Laboratory of Special Ceramics and Powder Metallurgy, USTBeijing, Beijing, 100083, China）Abstract:On the basis of analysisof developing background and theory of thermoelectric graded materials, p-type (Bi1-0.85Sb0.85)2Te3and PbTe two segments thermoelectrical graded materials with different barriers werefabricated by conventional hot-pressing process.

具有不同扩散势垒的p型(Bi1-0.85Sb0.85)2Te3和PbTe二元梯度热电材料的研制徐桂英葛昌纯高艳平周张健摘要：在分析了热电材料的发展背景和研究理论的基础上，采用热压法制备出单体和双层具有不同扩散势垒的(Bi1-0.85Sb0.85)2Te3与PbTe体系二元梯度热电材料。

The Ehrlich-Schwoebel barriers of an adatom Cu diffusing down an island of fcc Cu are calculated by molecular dynamical simulation.The two-dimensional(2D) and three-dimensional(3D) ES barriers are calculated and compared with the results of Al.

利用分子动力学中的静态结构弛豫方法对Cu原子在面心立方铜的台阶表面扩散过程中的Ehrlich-Schwoebel势垒进行了模拟计算，研究了二维和三维ES势垒的差别，并将Cu与面心立方Al的结果进行了比较。

The four reaction channels including hydroxyl-type benzaldoxime are endothermic reaction, thermodynamically non-spontaneous process, but the other four reaction channels including ion-type benzaldoxime participation are exothermic reaction and thermodynamically spontaneous process. The latter four reaction channels, which have lower reaction barriers, faster reaction velocities and bigger equilibrium constants than those of the former fours, are the chief reaction channels.

苯甲醛肟以羟基型参与反应的4个反应通道均为吸热反应和热力学非自发过程，它们均具有较高的反应势垒、较慢的反应速率和较小的平衡常数；而以离子型参与反应的四个反应通道均为放热反应和热力学自发过程，它们的反应势垒较低，反应速度较快，平衡常数也较大，故苯甲醛肟应主要以离子型参与反应。

The effects of interatomic potentials on the action of helium in α- Fe are investigated by using molecular dynamics simulations.

采用分子动力学方法研究了不同相互作用势对氦在α-Fe中行为的模拟结果的影响，发现不同的作用势会影响到单个氦原子在α-Fe中的稳定位置，但对氦泡中氦原子的分布无实质性影响。

This article discusses the principle of molecular dynamics, interatomic potentials (for example, Lennard-Jones potential), some common finite difference algorithms, several molecular dynamics simulation ensembles , and the extraction of useful information.

介绍了分子动力学模拟的基本原理及常用的原子间相互作用势，如Lennard-Jones势；论述了几种常用的有限差分算法，如Verlet算法；说明了分子动力学模拟的几种系综及感兴趣的宏观统计量的提取。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。