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arXiv 1206.2203cond-mat.stat-mechphysics.chem-phphysics.comp-ph
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空间变化湮没率反应扩散过程的高效动力学Monte Carlo方法

Efficient kinetic Monte Carlo method for reaction-diffusion processes with spatially varying annihilation rates

Karsten Schwarz, Heiko Rieger

摘要:

我们提出了一种有效的蒙特卡罗方法来模拟反应扩散过程与空间变化的粒子湮灭或转化率,因为它发生在例如在马达驱动的细胞内运输的背景下。像格林函数反应动力学和首次通过时间的方法,我们的算法避免了小的扩散跳传播足够远的粒子在大的跳跃到保护域的边界。由于空间变化的湮灭或变换率的单粒子扩散传播是不知道的分析,我们提出了一种算法,有效地产生粒子位移或湮灭与正确的统计,我们严格证明。数值算例表明了该算法的有效性。

英文摘要:

We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green's function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in large hops to the boundaries of protective domains. Since for spatially varying annihilation or transformation rates the single particle diffusion propagator is not known analytically, we present an algorithm that generates efficiently either particle displacements or annihilations with the correct statistics, as we prove rigorously. The numerical efficiency of the algorithm is demonstrated with an illustrative example.

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