STOCHASTIC MOLECULAR DYNAMICS SIMULATION OF PARTICLE DIFFUSION IN RECTANGULAR MICROCHANNELS

스토캐스틱 분자동역학 시뮬레이션을 통한 직사각형 마이크로 채널 내의 입자 확산 연구

Stochastic molecular dynamics simulation is a variation of standard molecular dynamics simulation that basically omits water molecules. The omission of water molecules, occupying a majority of space, enables flow simulation at microscale. This study reports our stochastic molecular dynamics simulation of particles diffusing in rectangular microchannels. We interestingly found that diffusion patterns in channels with a very small aspect ratio differ by dimensions. We will also discuss the future direction of our research toward a more realistic simulation of micromixing.