LENNARD-JONES相关论文
Molecular dynamics simulation of deformation process under three-point bending test in magnesium sin
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The flow of current through an ionic channel is studied using the energetic variational approach of Liu applied to t......
一直以来,人们认为液体的结构由粒子之间的排斥相互作用决定,粒子之间的吸引相互作用几乎对液体的结构没有影响[1]。同时,人们......
在燃烧模拟软件包CHEMKIN-Pro中,输入文件包括输运数据、热力学数据,而Lennard-Jones系数是输运数据的重要组成部分,在压力相关速......
对第二维里系数与温度的经验关联式作了评选,推荐B=B_0+B_1/t+B_2/t~2+B_3/t~3+B_4/t~4,t=T/1000,和lg(-B)=E_0+E_1(100/T)+E_2lg(......
采用等温等容分子动力学模拟方法,研究了LennardJones流体从固相到液相体系结构和性质的变化。均方位移,径向分布函数,平动序参数等结构和性质的......
基于作者用MonteCarlo方法模拟Lennard-Jones模型流体所获得的G^E数据,检验了Wilson,NRTL,UNIAUAC和Wang-Chao4种活度系数模型,检验中选用了不同定义的局部组成和配位数表达式,将模型流体的分子......
Simplified Step-by-Step Nonlinear Static Program Investigating Equilibrium Conditions of Electrons i
For investigation of equilibrium conditions of electrons in an atom, and Ionization Energies of Elements, a simplified d......
We determine the encapsulation of a chloroform molecule into a D,L-Ala cyclopeptide nanotube by investigating the intera......