MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion


Autoria(s): Martín-Bragado, I.; Rivera de Mena, Antonio; Valles, G.; Gómez Selles, José Luis; Caturla Terol, Maria Jose
Data(s)

01/12/2013

Resumo

In this work, we introduce the Object Kinetic Monte Carlo (OKMC) simulator MMonCa and simulate the defect evolution in three different materials. We start by explaining the theory of OKMC and showing some details of how such theory is implemented by creating generic structures and algorithms in the objects that we want to simulate. Then we successfully reproduce simulated results for defect evolution in iron, silicon and tungsten using our simulator and compare with available experimental data and similar simulations. The comparisons validate MMonCa showing that it is powerful and flexible enough to be customized and used to study the damage evolution of defects in a wide range of solid materials.

Formato

application/pdf

Identificador

http://oa.upm.es/25798/

Idioma(s)

eng

Relação

http://oa.upm.es/25798/1/INVE_MEM_2013_160926.pdf

http://www.sciencedirect.com/science/article/pii/S0010465513002397

info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cpc.2013.07.011

Direitos

http://creativecommons.org/licenses/by-nc-nd/3.0/es/

info:eu-repo/semantics/openAccess

Fonte

Computer Physics Communications, ISSN 0010-4655, 2013-12, Vol. 184, No. 12

Palavras-Chave #Física #Materiales #Energía Nuclear
Tipo

info:eu-repo/semantics/article

Artículo

PeerReviewed