Heterogeneous atomistic-continuum representations for dense fluid systems
Heterogeneous atomistic-continuum representations for dense fluid systems
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DOI：
10.1142/s0129183197000837
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发表时间：
1997-08-01
影响因子：
1.9
通讯作者：
Patera, AT
中科院分区：
文献类型：
--
作者：
Hadjiconstantinou, NG;Patera, AT
我们提出了一个制定和数值求解程序的非均匀原子连续表示的流体流动。从原子和连续的角度来看，成分是非平衡分子动力学和光谱元素，分别由一个经典的程序，重叠子域的施瓦茨交替方法提供的匹配。该技术被应用到微尺度如何稠密流体（超临界氩）在一个复杂的二维通道。
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.