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搜索结果: 1-13 共查到工学 Molecular Dynamics相关记录13条 . 查询时间(0.066 秒)
Polymers are widely used to manufacture many chemical products. Often, polymers are designed by trial-and-error, which is expensive and time-consuming. In this work, a new optimization-based computer-...
Chaperonins are large ring shaped oligomers that facilitate protein folding by encapsulation within a central cavity. All chaperonins possess flexible C-termini which protrude from the equatorial doma...
Nanoscale materials have become an active area of research due to the enhanced mechanical properties of the nanomaterials in comparison to their respective bulk materials. The effect that the size and...
In this study, molecular dynamics simulations based on a magnetic dipole theory were developed to study microstructural evolution, rheological properties and potential energies of magnetic fluids (MF)...
用分子动力学的方法详细模拟纳米铜晶胞随温度与压强变化的规律,得到了铜晶胞体积弹性模量突变的敏感压强点。模拟结果表明:单晶铜的在压强小于75 GPa时体积弹性模量随温度升高而降低,随压强增大而增大;在压强大于75 GPa时,体积弹性模量随温度升高而增大,随压强增大而减小。
The effect of alloying elements in aluminum on diffusion behavior was investigated using non-equilibrium molecular dynamics (NEMD) under the effect of electromigration wind force. The electromigration...
Purpose: The goal of the paper is to study the molecular dynamics of Cu-Pd ordered alloys. Design/methodology/approach: The thermal and mechanical properties of Cu, Pd pure metals and their ordered i...
专著信息 书名 Study on modification mechanism of rare earth in ZA27 cast alloy with electronic theory and molecular dynamics method 语种 英文 撰写或编译 作者 Guili Liu,Rongde Li,Zhenping Zhou 第一作者单位 出版社 J.Mater.Sci.&T...
期刊信息 篇名 Molecular dynamics simulation of stress corrosion cracking in Cu3Au 语种 英文 撰写或编译 作者 Q K Li,Y Zhang,W Y Chu 第一作者单位 刊物名称 Computational Materials Science 页面 2002, 25(3): 510-518 出版日期 2002年 月 日 文章标...
The Molecular Dynamics Simulation of epitaxial process of Si1-xGex/Si(100) was carried out by utilizing the Stillinger-Weber potential and Gear algorithm. The thermal dynamic effects due to different ...
The primary goal of the center is to support research in molecular dynamics and encourage cooperation between German and Israeli scientists. The center supports theoretical research in all branches of...
Collision dynamics of nanoparticles with a surface was studied by classical molecular dynamics simulations. Silver, nickel and silica were selected as the particle materials, and silver as the surfa...

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