A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows
A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows
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DOI：
10.1016/j.cma.2013.05.020
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发表时间：
2013-09
影响因子：
7.2
通讯作者：
A. Alexiadis;D. Lockerby;M. Borg;J. Reese
中科院分区：
文献类型：
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作者：
A. Alexiadis;D. Lockerby;M. Borg;J. Reese
我们提出了一种新的混合算法，适用于非等温稳态流动，不需要计算的欧文-柯克伍德应力张量或热通量矢量的不可压缩的微米和纳米流。通过模拟在两种不同温度和速度下具有边界壁的类重力作用下的通道中的流动来验证该方法。与基准全MD模拟相比，该模型显示出非常准确的结果。在温度结果中，特别是粘性耗散的贡献被正确地评估。
We propose a new hybrid algorithm for incompressible micro and nanoflows that applies to non-isothermal steady-state flows and does not require the calculation of the Irving–Kirkwood stress tensor or heat flux vector. The method is validated by simulating the flow in a channel under the effect of a gravity-like force with bounding walls at two different temperatures and velocities. The model shows very accurate results compared to benchmark full MD simulations. In the temperature results, in particular, the contribution of viscous dissipation is correctly evaluated.