Gil Shohet , Jacob Price , Jeffrey Haack , Mathieu Marciante , Michael S. Murillo
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引用次数: 3
Abstract
We have developed a concurrent heterogeneous multiscale method (HMM) framework with a microscale molecular dynamics (MD) model and a macroscale kinetic Vlasov-BGK model. The kinetic model is formulated such that BGK collision times are the closure data obtained from MD. Using the H-theorem, we develop the mathematical link between the MD and the kinetic model. We examine three relaxation processes, energy, momentum, and bump-on-tail, using full microscale MD simulations as a reference solution. We find that solutions computed with the HMM framework offer a significant computational reduction () compared with computing a full MD solution, with significant improvements in accuracy compared with a kinetic model using analytical collision times.
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