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分子动力学计算机模拟
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  “分子动力学计算机模拟”译为未确定词的双语例句
     Computer Simulation of Molecular Dynamics in Fe_3Al Alloy Melt
     Fe_3Al合金熔体分子动力学计算机模拟
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     COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li, K?F, Cl SYSTEM BY MOLECULAR DYNAMICS METHOD
     Li,K|F,Cl互易系熔盐溶液的分子动力学计算机模拟研究
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     Busing inter-ionic potential function are used for the molecular dynamics simulation of ZnCl2-KCl molten salt solution.
     用Busing离子间势,对ZnCl_2—KCl系熔盐溶液的结构作分子动力学计算机模拟研究.
短句来源
     This paper reports a computer simulation approach of molecular dynamics to study the correlations of ions K+, Na+ and Li+ to water molecules in a right-handed Gramicidin A model channel.
     基于右手螺旋短杆菌肽A离子通道模型,利用分子动力学计算机模拟方法研究了通道内离子K+,Na+,Li+与水分子的相关性.
短句来源
     The structure and thennodynamics properties of AlCl3-NaCl melt have been presented withMolecular Dynamics (MD)simulation method.
     用分子动力学计算机模拟方法研究熔融AlCl3-NaCl体系的微观结构和动力学性质、计算了熔体的径向分布函数,离子配位数,平衡常数和扩散系数。
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  相似匹配句对
     Molecular Chiral Dynamics
     分子手性动力学
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     The Dynamics of Molecular Motor
     分子马达动力学
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     10 ?
     分子
短句来源
     MOLECULAR DYNAMICS SIMULATION OF DIFFUSIVITY
     扩散系数的分子动力学模拟
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     AN OVERVIEW ON MOLECULAR DYNAMICS SIMULATION
     分子动力学模拟的主要技术
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  molecular dynamics computer simulation
The phenomenon of water penetration into sodium octanoate micelles studied by molecular dynamics computer simulation
      
The analysis of this phenomenon was based on a molecular dynamics computer simulation.
      
With a molecular dynamics computer simulation we investigated the dynamic properties of a monododecyl pentaethylene glycol (C12E5) molecule adsorbed at air/water and oil/water interfaces.
      
We use the molecular dynamics computer simulation technique to study the behavior of electron plasmas in the presence of highly charged ions and strong magnetic fields.
      
A new nonequilibrium molecular dynamics computer simulation method has been developed for the study of rapid interface kinetics.
      
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We investigate in this paper the mechanism of energy transfer in homonuclear diatomic molecular solid system by the computer simulation with molecular dynamical method. It gave the intra-molecular vibrational frequencies for various parameters of interatomic potential. We verify the theory of same weight for distribution in molecular energy about the term of vibrational potential as well as various degrees of freedom of the molecules. The relaxation rate for various vibrational frequencies are calculated also....

We investigate in this paper the mechanism of energy transfer in homonuclear diatomic molecular solid system by the computer simulation with molecular dynamical method. It gave the intra-molecular vibrational frequencies for various parameters of interatomic potential. We verify the theory of same weight for distribution in molecular energy about the term of vibrational potential as well as various degrees of freedom of the molecules. The relaxation rate for various vibrational frequencies are calculated also.

本文应用分子动力学计算机模拟方法研究同核双原子分子晶体体系的内部传能机制。计算了不同势参数下分子内部的振动频率;验证了振动势能项将以与平动、振动、转动各自由度一样的权重分配分子能量的理论;计算了不同振动频率下的弛豫速率。

Molecular dynamics was introduced into the simulating computation for the thermodynamic and structural properties of molten NaCl,including melt's potential energy, kinetic energy,Virial coefficient, temperature and pressure, as well as the partially radial distribution function and metastructural coefficient. The results were employed in calculating some thermodynamic values with the melt microstructure discussed Partly. The calculation results reveals that melts are ordered only in stort-range with a relaxation...

Molecular dynamics was introduced into the simulating computation for the thermodynamic and structural properties of molten NaCl,including melt's potential energy, kinetic energy,Virial coefficient, temperature and pressure, as well as the partially radial distribution function and metastructural coefficient. The results were employed in calculating some thermodynamic values with the melt microstructure discussed Partly. The calculation results reveals that melts are ordered only in stort-range with a relaxation process taking place. The diffusion coefficients of Na+and Cl- are 1.187×10-4 and 1.03×10-4cm2/s, respectively.

分子动力学计算机模拟方法对熔融氯化钠结构和热力学性质进行模拟研究。计算了熔体的势能、动能、维里值、温度、压力等热力学性质和偏径向分布函数、偏结构系数,利用所得结果计算了有关的热力学量,讨论了熔体的局部微观结构。计算结果表明:熔体只存在近程有序,熔体存在松弛过程,Na~+和Cl~-的扩散系数分别为1.187×10~(-4)cm~2/S,1.03×10~(-4)cm~2/S。

Based on the embedded-atom-method, the st ructures of liquid noble metal Au and Ag have been investigated using Molecular Dynamics computer simubation. Results show that, near the melting point, there exists local cubic symmertry, and long-range correlations among these symmertries, are very weak.

采用镶嵌原子模型和分子动力学计算机模拟方法研究了液态贵金属Au,Ag在熔点附近的结构。结果表明,在熔点附近,液态Au和Ag存在局域立方对称性,并且这种对称性之间的长程取向关联较弱。

 
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