散逸粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討 : 第2報,非平衡動力学シミュレーションによる計算(流体工学,流体機械)

概要

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We have conducted non-equilibrium dynamics simulations to investigate the influence of the parameters, which have appeared in defining the equation of motion, in the dissipative particle dynamics method. The results obtained here are briefly summarized as follows. The theoretical values of the viscosity due to dissipative forces in the H-K theory are in good agreement with the simulaitons results obtained by the non-equilibrium dynamics method, except in the range of small number densities. The results obtained from the Green-Kubo expression by equilibrium simulations are significantly smaller than the theoretical ones. There are restricted conditions for taking appropriate values of the number density, number of particles, time interval, and shear rate to obtain physically reasonable results by means of dissipative particle dynamics simulations.
社団法人日本機械学会の論文
2004-07-25