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

Martín-Bragado, I. and Rivera de Mena, Antonio and Valles, G. and Gómez Selles, José Luis and Caturla Terol, Maria Jose (2013). MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion. "Computer Physics Communications", v. 184 (n. 12); pp. 2703-2710. ISSN 0010-4655. https://doi.org/10.1016/j.cpc.2013.07.011.

Description

Title: MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion
Author/s:
  • Martín-Bragado, I.
  • Rivera de Mena, Antonio
  • Valles, G.
  • Gómez Selles, José Luis
  • Caturla Terol, Maria Jose
Item Type: Article
Título de Revista/Publicación: Computer Physics Communications
Date: December 2013
ISSN: 0010-4655
Volume: 184
Subjects:
Freetext Keywords: Kinetic Monte Carlo; Damage; Diffusion; Irradiation; Defects; Simulation
Faculty: Instituto de Fusión Nuclear (UPM)
Department: Ingeniería Nuclear [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

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.

More information

Item ID: 25798
DC Identifier: http://oa.upm.es/25798/
OAI Identifier: oai:oa.upm.es:25798
DOI: 10.1016/j.cpc.2013.07.011
Official URL: http://www.sciencedirect.com/science/article/pii/S0010465513002397
Deposited by: Memoria Investigacion
Deposited on: 22 Apr 2015 16:30
Last Modified: 01 Jan 2016 23:56
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