Hybrid simulations are used to overcome length and time scale limitations of atomistic simulations for problems involving multi-fluid dynamics in the presence of multi-fluid interfaces. An overview of hybrid atomistic-continuum for the treatment of dense fluid problems with emphasis on the coupling of molecular dynamics (MD) with continuum methods is given. A new hybrid approach coupling MD with a stochastic particles simulation approach based on Monte Carlo (MC) simulation is further described. The coupling in the hybrid MD-MC method is presented and simulation results are validated by comparing with pure MD simulation results of a system consisting of dense gas molecules confined between the walls of a micro/nano-channel. In the end, comparisons between accuracy and computational costs of MD, MC and hybrid MD-MC simulations are outlined. Flow and no-flow regimes are considered for comparisons and the predictions for heat transfer in micro/nano-channel cooling applications are discussed.
- Nanotechnology Institute
Novel Hybrid Simulations for Heat Transfer at Atomistic Level
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Nedea, SV, Frijns, AJH, van Steenhoven, AA, Markvoort, AJ, & Hilbers, PAJ. "Novel Hybrid Simulations for Heat Transfer at Atomistic Level." Proceedings of the ASME 4th International Conference on Nanochannels, Microchannels, and Minichannels. ASME 4th International Conference on Nanochannels, Microchannels, and Minichannels, Parts A and B. Limerick, Ireland. June 19–21, 2006. pp. 1315-1322. ASME. https://doi.org/10.1115/ICNMM2006-96029
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