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Accelerated Monte Carlo method for calculation of sink strengths of absorbing surfaces for 3-D migrating particles in crystals of the cubic system
Journal of Nuclear Materials ( IF 2.8 ) Pub Date : 2020-01-18 , DOI: 10.1016/j.jnucmat.2020.152006
A.B. Sivak , P.A. Sivak , V.M. Chernov

An accelerated (compared to the standard “residence-time” Algorithm) Monte Carlo method for the calculation of the sink strengths of absorbing surfaces for particles in crystals of the cubic system has been suggested. On its basis, several algorithms have been developed which allow one to calculate the sink strengths either without any systematic inaccuracy or with its low and controlled magnitude. These algorithms have been tested by calculating the sink strengths of absorbing surfaces of different geometry (spherical, toroidal, cylindrical and planar) for particles (self-interstitial atoms, vacancies) in a crystal with BCC lattice. The use of the developed algorithms accelerates the calculations for low volume fractions of absorbers by orders of magnitude.



中文翻译:

加速蒙特卡罗方法用于计算立方系统晶体中3D迁移粒子的吸收表面的沉陷强度

提出了一种加速的(与标准“停留时间”算法相比)蒙特卡罗方法,用于计算立方晶系晶体中颗粒的吸收表面的沉陷强度。在此基础上,已经开发了几种算法,这些算法可以计算沉陷强度,而不会出现任何系统误差,或者具有较低且可控制的幅度。这些算法已通过计算具有BCC晶格的晶体中的粒子(自填原子,空位)的不同几何形状(球形,环形,圆柱形和平面形)的吸收表面的沉陷强度进行了测试。使用开发的算法可以将吸收器的低体积分数的计算速度提高几个数量级。

更新日期:2020-01-21
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