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

Published: 1 May 2003| Version 1 | DOI: 10.17632/swskrhs6x6.1
A.M. Ovcharenko, S.I. Golubov, C.H. Woo, Hanchen Huang


Abstract 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, whi... Title of program: GMIC++ Catalogue Id: ADRK_v1_0 Nature of problem A common approach to describe defect/adatom accumulation processes is by using a system of master equations. For a good description, the number of equations in the system is generally very large. As a result, their numerical solution is very time consuming. This problem is less serious at the early stage. However, as the process continues, the number of master equations increases and the numerical difficulty becomes severe. Versions of this program held in the CPC repository in Mendeley Data ADRK_v1_0; GMIC++; 10.1016/S0010-4655(02)00816-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Statistical Physics, Computational Physics, Thermodynamics