分子动力学
- 名molecular dynamics
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基于镶嵌原子势的纯Al快速凝固过程分子动力学模拟
Molecular dynamics simulation of rapid solidification process for Al by using EAM
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分子动力学模拟固态Al的自扩散性质
Study of Solid Aluminium Self-diffusion by Molecular Dynamics Simulation
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应变效应对金属Cu表面熔化影响的分子动力学模拟
Molecular dynamics simulation of strain effects on surface melting for metal Cu
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液态Al2O3结构的分子动力学模拟
Molecular dynamics simulation of structral properties of liquid Al _2O_3
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Al与Al之间低温界面热阻的分子动力学仿真
The Molecular Dynamic Emulation of Low - temperature Interface Thermal Resistance between Al and Al
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铀与CO反应的分子动力学研究
Molecular Reaction Dynamic for U and CO
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ZnO岩盐结构熔化特性的分子动力学模拟
Molecular Dynamics Simulation for Melting Properties of the Rocksalt Structure of ZnO
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分子动力学模拟金属玻璃Cu应力晶化的应变率效应
Molecular dynamics simulation of strain rate effect on stress induced crystallization for metallic glass Cu
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Cu(001)表面吸附原子扩散行为的分子动力学研究
Study on Diffusion Behavior of Adatom on Cu ( 001 ) Surface by Molecular Dynamics
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熔融NaCaF3、Na2CaF4和Na3CaF5的分子动力学模拟
Molecular Dynamics Simulations of Molten Salt Solutions NaCaF_3 , Na_2CaF_4 and Na_3CaF_5
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不同温度下Si(001)表面各种亚稳态结构的分子动力学模拟
Molecular dynamics simulations of various metastable structures on Si ( 001 ) at different temperatures
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Cu表面生长Ag薄膜过程的分子动力学模拟
Molecular Dynamics Simulation of the Process of Growth of Ag Film on Cu Surface
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氢在Nd晶体中行为的分子动力学模拟
The simulation of the hydrogen motion in the Nd crystal by molecular dynamic
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Si晶体中60°位错与空位缺陷相互作用的分子动力学研究
Molecular Dynamics Simulation of Interaction Between a 60 ° Dislocation and Vacancy Defects in Si Crystal
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我们利用分子动力学模拟的方法的研究了Si熔体在单壁碳纳米管表面异质凝固情况。
We used molecular dynamics simulation studied Si melt heterogeneous solidifying on surfaces of carbon nanotubes .
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基于FPGA的分子动力学模拟系统设计
FPGA-Based Molecular Dynamics Simulations System Design
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贵金属Au的液态结构分子动力学模拟
The Molecular Dynamics Simulation of Liquid Noble Metal Au
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通过对Ag和Au这2种典型面心立方晶体的分子动力学模拟计算,得到了它们的弹性常数,并与文献中的实验结果进行了对比,取得了较好的一致性。
The elastic constants of Ag and Au are calculated by molecular dynamic simulation .
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MgO材料高压熔化特性的分子动力学模拟
Molecular dynamics simulation of melting in MgO at high pressure
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我们还用分子动力学的方法模拟计算了Al熔体在硼-氮纳米管表面的异质凝固行为。
We also used the molecular dynamics simulation studied the Al melt heterogeneous solidifying and growing on surfaces of boron-nitrogen nanotubes .
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升温速率对团簇Cu(555)表层结构变化影响的分子动力学研究
Molecular Dynamics Study on the Effect of Heating Rate on Surface Structural Changes of the Cu_ ( 555 ) Cluster
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两种势下的Si(100)表面重构及二聚体形成过程的分子动力学模拟
Molecular dynamics simulation for Si ( 100 ) surface reconstruction under two kinds of potentials and dimer 's formation process
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本文还通过分子动力学模拟考察了第I类杂化膜与第II类杂化膜扩散性质的差别。
The differences of diffusion properties between class I and class II hybrid membranes were also investigated by molecular dynamics simulation .
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本文引入Adams方法用于求解分子动力学模拟中的藕合动力学方程。
Adams ' method was employed to solve the coupled dynamic equations in molecular dynamics simulation .
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Langmuir膜分子动力学模拟中的头基效应
Head Group Effect on Molecular Dynamics Simulation of Langmuir Monolayers
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MgO(001)表面上沉积MgO薄膜过程的分子动力学模拟
Deposition process of MgO thin film on MgO ( 001 ) surface simulated by molecular dynamics
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利用紧束缚分子动力学方法模拟研究了Si6团簇与Si(111)表面碰撞的微观过程。
The collision of Si 6 with a silicon ( 111 ) surface has been investigated by molecular dynamics simulation with tight binding potentials .
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采用常温、常压分子动力学模拟方法模拟了在周期性边界条件下由500个原子构成的液态Cu模型系统的凝固过程,考察了不同降温速率下液态Cu的凝固行为。
The cooling process of liquid Cu system consisted of 500 atoms controlled by period boundary condition has been simulated at the different cooling rate .
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C2H2在金刚石(001)-(2×1)重构面上吸附的分子动力学模拟
A molecular dynamics study of the chemisorption of C 2H 2 on the diamond ( 001 ) ( 2 × 1 ) surface
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用从头计算分子动力学模拟方法研究了水在Pt(111)表面上的吸附。
The adsorption of water on a Pt ( 111 ) surface has been studied with ab initio molecular dynamics simulation .