动力学蒙特卡罗模拟中平衡盆地可容纳性的随机方法
Stochastic method for accommodation of equilibrating basins in kinetic Monte Carlo simulations
摘要：
一个计算简单的方法来适应“盆地”的捕获网站在标准的动力学蒙特卡罗模拟。通过假设系统在盆中有效地平衡，可以计算停留时间（在逃逸之前在盆中花费的时间）和过渡到盆外部状态的概率。这表明点缺陷扩散周期性网格的网站包含一个复杂的盆地。
英文摘要：
A computationally simple way to accommodate 'basins' of trapping sites in standard kinetic Monte Carlo simulations is presented. By assuming the system is effectively equilibrated in the basin, the residence time (time spent in the basin before escape) and the probabilities for transition to states outside the basin may be calculated. This is demonstrated for point defect diffusion over a periodic grid of sites containing a complex basin.
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。
