Figure2 (IMAGE)
Caption
An outline of developed calculation model (continuum - molecular dynamics simulation hybrid method). In this model, when inter-ion distance is sufficiently far, relative motion is described by diffusion equations (continuum), meanwhile within a specific distance (written in broken line), molecular dynamics (MD) simulations are utilized to calculate the trajectory. In order to decrease calculation cost, we perform MD simulation with arranging gas molecules only around target ions.
Credit
Kanazawa University
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