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GMIC++: Grouping method in C++: an efficient method to solve large number of Master equations

机译:GMIC ++:C ++中的分组方法:一种解决大量Master方程的有效方法

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摘要

In typical nucleation, growth and coarsening problems in the study of defect/adatom accumulation in crystalline solids or surfaces, a large number of Master equations are involved to describe the evolution process. As examples, defect clusters nucleate and grow from point defects in solids when subjected to particle irradiation, and atoms depositing on a substrate form clusters leading to film growth. To efficiently solve the large number of master equations, the grouping method was used, which we have coded into a standard C++ program, taking full advantage of the object-oriented programming style supported in the C++ language. Because of the generic nature of this code, it may be of interest to the modeling nucleation and growth processes. As an example to demonstrate the application of this computer code, the Ostwald ripening process of vacancy clustering during aging in metal nickel is calculated.
机译:在研究结晶固体或表面中的缺陷/吸附原子积累的典型成核,生长和粗化问题中,涉及大量的Master方程来描述演化过程。作为例子,缺陷团簇在受到粒子辐照时从固体中的点缺陷成核并从中生长,并且沉积在基板上的原子形成簇团导致膜生长。为了有效地求解大量的主方程,使用了分组方法,我们已将其编码为标准C ++程序,从而充分利用了C ++语言支持的面向对象编程风格。由于该代码的通用性质,因此可能对建模成核和生长过程感兴趣。作为演示此计算机代码应用的示例,计算了金属镍时效过程中空位聚集的奥斯特瓦尔德成熟过程。

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