A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids
暂无分享,去创建一个
[1] Koichiro Nakanishi,et al. Constant temperature molecular dynamics calculation on Lennard‐Jones fluid and its application to watera) , 1983 .
[2] L. Verlet. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .
[3] E. Stoll,et al. Molecular‐dynamics investigation of solid–liquid coexistence , 1978 .
[4] M. Parrinello,et al. Strain fluctuations and elastic constants , 1982 .
[5] H. C. Andersen. Molecular dynamics simulations at constant pressure and/or temperature , 1980 .
[6] I. R. Mcdonald,et al. An equation of state for simple liquids , 1972 .
[7] Denis J. Evans,et al. Computer ‘‘experiment’’ for nonlinear thermodynamics of Couette flow , 1983 .
[8] L. V. Woodcock. Isothermal molecular dynamics calculations for liquid salts , 1971 .
[9] J. M. Haile,et al. Molecular dynamics simulations extended to various ensembles. I. Equilibrium properties in the isoenthalpic–isobaric ensemble , 1980 .
[10] Gary P. Morriss,et al. Isothermal-isobaric molecular dynamics , 1983 .
[11] J. Clarke. Molecular dynamics studies of glass formation in the Lennard-Jones model of argon , 1979 .
[12] W. G. Hoover. Atomistic nonequilibrium computer simulations , 1982 .