Heterogeneous atomistic-continuum representations for dense fluid systems

被引:159
作者
Hadjiconstantinou, NG
Patera, AT
机构
[1] M.I.T., Cambridge, MA 02139
[2] Department of Mechanical Engineering, Massachusetts Inst. of Technology, Cambridge
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1997年 / 8卷 / 04期
关键词
Schwarz; matching; molecular dynamics; hybrid continuum molecular dynamics;
D O I
10.1142/S0129183197000837
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
We present a formulation and numerical solution procedure for heterogeneous atomistic-continuum representations of fluid flows. The ingredients from atomistic and continuum perspectives are non-equilibrium molecular dynamics and spectral element, respectively; the matching is provided by a classical procedure, the Schwarz alternating method with overlapping subdomains. The technique is applied to microscale how of a dense fluid (supercritical argon) in a complex two-dimensional channel.
引用
收藏
页码:967 / 976
页数:10
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