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- The interaction between C60 clusters and dense plasmas has been studied using the molecular dynamic simulation (MDS). 摘要用分子动力学模拟方法研究了C60团簇与稠密等离子体的相互作用。
- Phase equilibria properties of alternative refrigerant have been researched by using the method of molecular dynamic simulation. 本文利用分子动力学模拟算法研究制冷剂替代物的气液相平衡性质。
- The conclusion is validated by Tersoff-Brenner molecular dynamics simulation. 基于Tersoff-Brenner作用势的分子动力学结果证实了这一结论.
- It can also perform molecular dynamics simulations. 它能也执行分子的动力学模拟。
- The ABEEM/MM (atom-bond electronegativity equalization fused into molecular mechanic) fluctuating charge force field was used in molecular dynamic simulation for N-methylacetamide (NMA) aqueous solution. 利用原子键电负性均衡结合分子力场方法(ABEEM/MM)对N-甲基乙酰胺(NMA)分子的水溶液体系进行了分子动力学模拟.
- A molecular dynamics simulation code is used to study the structures and dynamic behavior of a two-dimensional YUKAWA system. 改进和使用一个分子动力学模拟程序对二维YUKAWA系统的结构和动力学行为进行了研究。
- The molecular dynamics simulation method has been used to study the relation between the melting temperature and the cohesive energy of Pb nanofilms. 摘要本文利用分子动力学方法研究了铅纳米薄膜的熔化温度与结合能的关系。
- The structure of quenched glass from molten BaB 2O 4 has been studied by molecular dynamics simulation. 采用分子动力学模拟方法研究了熔融BaB2O4急冷玻璃结构。
- Nonequilibrium molecular dynamics simulation method is used to calculate the thermal conductivity of Si nanowires. 摘要采用非平衡态分子动力学方法模拟了硅纳米线的热传导性能，并对其主要影响因素作了分析。
- The molecular dynamic simulations showed that the bifurcated hydrogen-bondings in the proximal side of the heme in Mb were not stable. 结果表明，血红素近轴侧基不存在稳定的双氢键，该氢键对轴配体咪唑的取向不起决定性作用。
- The second part investingates the intercalation of DMSO in kaolinite with molecular dynamics simulation. 二是二甲基亚砜(DMSO)有机化高岭石的分子动力学模拟。
- Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA|ODA interface is studied. 通过分子动力学模拟研究了温度对铜与 PMDA-ODA表面相互作用的影响
- In a molecular dynamics simulation, Newton's laws of motion are applied to propogate protein motions in a time-dependent fashion. 在分子动力学的模拟中，蛋白质的动作是根据牛顿运动定律，以一种时间相依的方式来得到。
- The dependence of superlattice thermal conductivity on period length is investigated by nonequilibrium molecular dynamics simulation. 摘要采用非平衡态分子动力学方法模拟了超晶格的法向导热系数随周期长度的变化关系。
- Molecular Dynamics simulation was used in this paper to study the adsorption behaviors of various succinimide dispersants on pseudo-soot surface. 丁二酰亚胺类分散剂是一种典型的用于各种润滑油中的无灰分散剂。
- Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Ag/Perylene Polyimide interface is studied. 通过分子动力学模拟研究了温度对银与聚苝酰亚胺表面相互作用的影响。
- Key words: protein-surface interactions antithrombotic material molecular dynamics simulation zwitterionic structure nine peptides of FXII. 尽管完全验证“维持自然状态说”还必须对更复杂的蛋白质分子进行模拟，但本课题的工作仍然为其提供了一个有力的佐证。
- Langevin molecular dynamic simulation Langevin分子动力学
- A molecular dynamics simulation of the enhancement of adatom incidence of formation of misfit dislocations in epitaxial aluminum films has been carried out. 摘要运用分子动力学方法模拟研究了沉积原子的不同落点对外延铝薄膜中失配位错的诱发作用。
- Based on the results of phage display, the interactions between three glyco replica peptides and glucoamylase were investigated by molecular dynamics simulation. 基于噬菌体展示的结果,对三种拟糖多肽与葡糖淀粉酶的相互作用进行了分子动力学模拟。
