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- This paper introduces the Molecular Dynamics method, including its thoughtway、 simulation process and simulation details. 本文系统介绍了分子动力学方法，包括其模拟思想、步骤和细节。
- Abstract: The effect of urea and water molecular to the S-peptide conformational transition in the protein sample was studied with all atom model by molecular dynamics method. 文章摘要: 采用分子动力学方法和全原子模型研究尿素和水分子对模型蛋白S-肽链结构转化的影响。
- The buckling behavior of single-wall carbon nanotubes(SWCNTs) under compression is simulated by using the molecular dynamics method with Tersoff-Brenner potential to describe the interactions between atoms in SWCNT. 采用以Tersoff Brenner势函数来描述碳纳米管中碳原子间的相互作用的分子动力学方法;模拟了单壁 碳纳米管(SWCNTs)的受压屈曲行为.
- Heat conduction in a low dimensional system is anomalous and dose not obey Fourier law. The thermal conductivity of the FPU chains was numerically calculated by the molecular dynamics method. 采用分子动力学方法分析一维FPU模型的热传导,以研究低维系统的热传导是否遵循Fourier热传导定律。
- The molecular dynamics method is employed to simulate mono-vacancy and divacancy in the ordered intermetallic compound Cu3Au with L12 structure using Finnis-Sinclair type many-body potentials. 采用Finnis-Sinclair类型的多体势模型;用分子动力学方法对L1_2 型有序金属间化合物Cu_3Au中的单、双空位进行了计算机模拟研究.
- In the second part, the collisions of carbon nanotubes with graphitic patches have been numerically simulated by molecular dynamics method with tight-binding potential and Tersoff potential. 结果表明：碰撞使两个石墨烯片与单壁碳纳米管形成双壁碳纳米管的结构。
- The Theory of Ab-initio Molecular Dynamics Method 从头计算分子动力学的理论基础
- The three dimensional structure of homoserine transsuccinylase from Escherichia coli(EcHTS) was modeled by using homology and molecular dynamics methods. 利用同源模建和分子动力学模拟方法,模建了大肠杆菌中高丝氨酸琥珀酰基转移酶的三维结构。
- In this thesis, the heteroepitaxial growths for Au/Cu(001), Au/Cu(111), Ag/Cu(001), Ag/Cu(111), Cu/Au(001) and Cu/Au(111) were simulated by molecular dynamic method(MD) with embedded atom method(EAM). 本文通过分子动力学方法,采用EAM原子间相互作用势分别对Au/Cu(001)、Au/Cu(111)、Ag/Cu(001)、Ag/Cu(111)、Cu/Au(001)和Cu/Au(111)异质外延生长进行了模拟,分析了异质外延岛形貌的演化、局域压力分布以及外延岛与基体之间的结合能和基体形变能。
- Molecular dynamics methods in drug molecule design 药物分子设计中的分子动力学方法
- A Mechanism Investigation of Core Melting in Nuclear Reactor Using Molecular Dynamics Method 用分子动力学方法研究反应堆堆芯熔化机理
- Generation of composite propellant filler packing model by molecular dynamics method 复合推进剂颗粒填充模型的分子动力学模拟方法
- It can also perform molecular dynamics simulations. 它能也执行分子的动力学模拟。
- Computerized Simulation of Molten LiCl at Different Temperature Using Molecular Dynamics Method 不同温度下熔融LiCl系统的分子动力学模拟计算
- Computerized Simulation of Molten Salt NaCl at Different Temperature by Molecular Dynamics Method 不同温度下熔融NaCl的分子动态学计算机模拟
- Molecular Dynamics Method of Scattering of the Xenon Atom from the Platinum Surface 氙原子在铂表面散射的分子动力论方法
- INVESTIGATION ATOMIC LEVEL MICROMECHANISM ABOUT TOOL WEAR IN THE CASE OF NANOMETRIC CUTTING USING MOLECULAR DYNAMICS METHOD 纳米切削工艺中刀具原子尺度磨损机理的分子动力学分析
- The Molecular Dynamics Method of Computer Simulation with the Exponential-Six Form of Intermolecular Potential in a Canonical Ensemble 六次指数势的正则系综分子动力学模拟
- The dynamic method has no method body. 动态方法没有方法体。
- Molecular dynamics study MgSiO3 perovskite under high pressure[J]. 引用该论文 陈志雄;刘子江;祁建宏;刘永刚;郭媛.
