Constant surface-tension molecular-dynamics simulation methods for anisotropic systems.
We propose a simulation method for liquid-liquid interface under constant surface tension and constant normal pressure. The method introduces an anisotropic factor in the cell dynamics which avoids artifacts such as continuous expansion or contraction of the cell lengths. This allows simulation of a full range of surface tensions including when the value is 0, i. e, hydrostatic pressure.
Yokoyama Nano-structured Liquid Crystal Project, JST, Tsukuba Research Consortium, Ibaraki, Japan. aoki@icfd.co.jp
Keiko M
KM
Aoki
Makoto
M
Yoneya
Hiroshi
H
Yokoyama