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arXiv 0806.3912physics.plasm-phphysics.comp-ph
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布朗动力学模拟的类齿轮预估-校正方法

A Gear-like Predictor-Corrector method for Brownian Dynamics Simulation

Lu-Jing Hou, Z. L. Mišković

摘要:

我们介绍了一种适用于多粒子布朗动力学模拟的预测-校正型方法。由于该方法在摩擦消失的限制下,过渡到用于分子动力学模拟的Gear方法,因此我们将其称为类Gear算法。在一维随机阻尼谐振子模型上的实验结果表明,该算法具有高阶精度、稳定性好、能量漂移小等优点,适用范围广.

英文摘要:

We introduce a Predictor-Corrector type method suitable for performing many-particle Brownian Dynamics simulations. Since the method goes over to the Gear's method for Molecular Dynamics simulation in the limit of vanishing friction, we refer to it as a Gear-like algorithm. The algorithm has been tested on a one-dimensional, stochastically damped harmonic oscillator model, showing that it can cover a wide range of friction coefficients with a high-order accuracy, excellent stability, and a very small energy drift on the long time scales.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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