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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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| 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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| Molecular Dynamics Simulations of the Variation of Structure and Energy in the Solidification of Liquid Au |
| 贵金属Au冷却过程中结构及能量变化的分子动力学计算机模拟 |
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| 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． |
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| 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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| 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. |
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| MOLECULAR DYNAMICS SIMULATIONS OF SUPERCOOLED LITHIUM CHLORIDE GLASS |
| LiCl熔盐急冷形成非晶固体的分子动力学计算机模拟研究 |
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| MOLECULAR DYNAMICS SIMULATIONS OF SUPERCOOLED LITHIUM CHLORIDE GLASS |
| LiCl玻璃急冷过程的分子动力学计算机模拟研究 |
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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. |
| 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。 |
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| Based on the embedded-atom-method, the st ructures of liquid noble metal Au and Ag have been investigated using Molecular Dynamics computer simubation. |
| 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。 |
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| In this paper, the interface phenomenon including solidliquid, liquid-gas and gas-solid of krypton is studied by means of the molecular dynamic computer simulation method. |
| 本文利用分子动力学计算机模拟的方法,研究了氪的固-液、液-气和气-固的界面现象。 |
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| On the basis of the embedded atom model reflecting many body interactions among atoms and the effective pair potential, structures and microdynamic behavior of liquid transition me-tal Pd and Pt have been investigated by means of molecular dynamics simulation with compu-ter. |
| 采用反映原子多体相互作用的镶嵌原子模型和有效偶势模型及分子动力学计算机模拟技术,研究了液态过渡金属Pd和Pt在熔点附近的结构与微观动力学行为。 |
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| In this paper, we investigate the relationships between the rates of vibrational-translational energy relaxation and the molecular dissociation energy, density and temperature for diatomic molecular in condensed state by the computer simulation with molecular dynamical method. |
| 本文利用分子动力学计算机模拟方法,研究了稠密态双原子分子振动-平动弛豫速率与分子离解能、密度和温度的关系。 |
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| The depositing process of (Cu)13 cluster, on Cu(00l) surface with icosahedral structure and en-ergy ranging from 5 to 20 eV per atom, is investigated by molecular-dynamics simulations. A many-body hybrid potential, which is a combination of the tight-binding with Moliere potential, is used. |
| 用分子动力学计算机模拟研究了能量为5—20 eV/atorn，结构为正二十面体的(Cu)_(13)原子簇在Cu（001）表面的沉积过程. |
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| By the molecular dynamics simulation technology,the properties of melt Al 3Fe under the quick cooling conditions has been investigated based on TB theory. The result demonstrates the microstructure of melt Al 3Fe can be explicated by pair distribution function. |
| 本文利用TB模型对Al3Fe熔体结构进行了分子动力学计算机模拟，详细考察了在快速凝固条件下Al3Fe熔体结构的温度变化特征，计算了不同温度下的偶分布函数，分析了在快速凝固条件下Al3Fe合金熔体的结构特点。 |
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| By use of the Tight binding many body potential and moleculear dynamics simulation technology, the structure and microdynamics of Al melt has been researched. |
| 利用反映原子多体相互作用的紧束缚模型及分子动力学计算机模拟技术,研究了液态金属Al的熔体结构与微观动力学行为。 |
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| Molecular dynamics simulation of the epitaxial growth of C 60 on MoS 2 substrate,which was already reported as an experimental success for a large lattice mismatching system,was performed. The simulated results show that van der Waals force makes it possible to epitaxially grow hetergenous films in the case of some highly lattice mismatching systems. |
| 实验上已经得出了在MoS2 基板上外延生长C60 薄膜的结果 ,本文用分子动力学计算机模拟方法对MoS2 基板上外延生长C60 薄膜进行了研究 ,证实范德瓦尔斯外延可以克服较大的晶格失配问题。 |
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