固定浓度间的朗之万轨迹
Langevin Trajectories between Fixed Concentrations
摘要:
我们考虑粒子在两个由通道连接的固定浓度的无限浴之间扩散的轨迹,例如,生物膜的蛋白质通道。稳态流入和流出的Langevin轨迹在一个有限的体积包含的通道和部分的两个浴的边界处复制终止的传出轨迹和注射根据剩余的相空间密度。我们提出了一个模拟方案,保持平均固定的浓度,而不产生虚假的边界层,与假设的物理相一致。
英文摘要:
We consider the trajectories of particles diffusing between two infinite baths of fixed concentrations connected by a channel, e.g. a protein channel of a biological membrane. The steady state influx and efflux of Langevin trajectories at the boundaries of a finite volume containing the channel and parts of the two baths is replicated by termination of outgoing trajectories and injection according to a residual phase space density. We present a simulation scheme that maintains averaged fixed concentrations without creating spurious boundary layers, consistent with the assumed physics.
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