On Renormalization Molecular Dynamics for Micro Fluid Analysis

概要

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Molecular dynamics method (MD) has been used for the analysis of fluid field at the atomic and molecular level2), but the calculation cost has been a major bottleneck. Then, in recent years, many scientists are trying to develop new coarse graining methods to increase the speed of calculation. Renormalization molecular dynamics method (RMD)6) is one of them. The number of molecules is compressed by applying renormalization group conversion to the Hamiltonian, and simulations are possible at any scales by controlling number of conversion times. The applicability of this method for solids has already been proved, but the applicability for liquids or gases at the micro level has not been shown. In this study, we applied RMD to static argon liquid, gas-liquid layer and argon gas in simple shear flow. We calculated radial distribution function, coefficient of evaporation and viscosity and compared the results with normal MD. As a result, it was possible to shorten the simulation time to 1/13. The obtained results were similar to that of usual MD.
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