M. Barisik, A. Beskok, Equilibrium molecular dynamics studies on nanoscale confined fluids, Microfluid. Nanofluid. 11 (3) (2011) 269e282.Barisik M, Beskok A (2011) Equilibrium molecular dynamics studies on nanoscale confined fluids. Microfluid Nanofluid. doi:10.1007/s104...
The thermal conductivity of graphene nanoribbons (GNRs) has been investigated using equilibrium molecular dynamics (EMD) simulation based on Green-Kubo (GK) method to compare two interatomic potentials namely optimized Tersoff and 2nd generation Reactive Empirical Bond Order (REBO). Our comparative study...
3.Thermal conductivities of Si, Ge,Si/Ge core-shell and Si/Ge super-lattice nanowires at different temperature were simulated by the non-equilibrium molecular dynamics method, the relationship of temperature and thermal conductivity of nanowires was drawn and their thermal properties were compared.采用...
The density functional theory ab initio quantum mechanical and molecular dynamics thermodynamic integration methods have been used to study the intramolecular proton transfer equilibrium in 2-[N,N-dimethylaminomethyl]-3,4,6-trichlorophenol. The model of slow proton transfer reaction was applied, where ...
1. 非平衡分子动力学 物理专业英语词汇(N) - 翻译考试网 ... non directional 不定向的 non equilibrium molecular dynamics 非平衡分子动力学 ... www.yuloo.com|基于16个网页 例句 释义: 全部,非平衡分子动力学 更多例句筛选 1. Non-equilibrium Molecular Dynamics Simulation on Pure Gas Permeability Through...
Using the method of molecular dynamics, we have analysed the relaxation towards equilibrium of an inhomogeneous and isolated system whose constituent particles interact through a Lennard-Jones potential. The initial velocity distribution is of the type leading to the overpopulation effect observed by Tj...
Nonequilibrium Molecular Dynamics 和 equilibrium Molecular Dynamics 有什么区别阿 他们分别是什么啊？？
The density functional theory ab initio quantum mechanical and molecular dynamics thermodynamic integration methods have been used to study the intramolecular proton transfer equilibrium in 2-[N,N-dimethylaminomethyl]-3,4,6-trichlorophenol. The model of slow proton transfer reaction was applied, where th...
The equilibrium structures and the dynamic properties of two interacting clusters (cluster dimer), both of which have 13 atoms with icosahedral symmetry, have been studied by the molecular-dynamics method. A few metastable structures have been observed, but we obtain only one ground-state structure...
aand to change option .enter to select an option.press f10 to bios setup options,esc to exit 正在翻译,请等待...[translate] a(GNRs) using the nonequilibrium molecular dynamics method. We show that the substrate has 正在翻译,请等待...[translate]...