A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows

作者:Alexiadis Alessio*; Lockerby Duncan A; Borg Matthew K; Reese Jason M
来源:Computer Methods in Applied Mechanics and Engineering, 2013, 264: 81-94.
DOI:10.1016/j.cma.2013.05.020

摘要

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.

  • 出版日期2013-9-1