Nonequilibrium molecular-dynamics simulation of net evaporation and net condensation, and evaluation of the gas-kinetic boundary condition at the interphase
Nonequilibrium molecular-dynamics simulation of net evaporation and net condensation, and evaluation of the gas-kinetic boundary condition at the interphase
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DOI：
10.1063/1.1630797
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发表时间：
2004-02-01
影响因子：
4.6
通讯作者：
Hafskjold, B
中科院分区：
文献类型：
--
作者：
Meland, R;Frezzotti, A;Hafskjold, B
提出了用分子动力学模拟稳定净蒸发和净冷凝的算法。计算了蒸发和冷凝系数，表明它们在平衡外不相等。评估相间边界处的分布函数。对于净蒸发和净冷凝，蒸发分子的分布函数中存在远离界面的漂移，而反射分子的分布函数则存在朝向界面的漂移速度。 (C) 2004 年美国物理研究所。
Algorithms for simulating steady net evaporation and net condensation with molecular dynamics are presented. The evaporation and condensation coefficients are calculated, showing that they are not equal outside equilibrium. The distribution function at the interphase boundary is evaluated. There is a drift away from the interphase in the distribution function for the evaporated molecules and a drift velocity towards the interphase for the reflected molecules, both for net evaporation and for net condensation. (C) 2004 American Institute of Physics.