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MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion
Cita
Martín-Bragado, I., Rivera de Mena, Antonio Juan 
ORCID: https://orcid.org/0000-0002-8484-5099, Valles, G., 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.
ORCID: https://orcid.org/0000-0002-8484-5099, Valles, G., 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.
Descripción
| Título: | MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion |
|---|---|
| Autor/es: |
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| Tipo de Documento: | Artículo |
| Título de Revista/Publicación: | Computer Physics Communications |
| Fecha: | Diciembre 2013 |
| ISSN: | 0010-4655 |
| Volumen: | 184 |
| Número: | 12 |
| Materias: | |
| ODS: | |
| Palabras Clave Informales: | Kinetic Monte Carlo; Damage; Diffusion; Irradiation; Defects; Simulation |
| Escuela: | Instituto de Fusión Nuclear (UPM) |
| Departamento: | Ingeniería Nuclear [hasta 2014] |
| Licencias Creative Commons: | Reconocimiento - Sin obra derivada - No comercial |
Resumen
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.
Más información
| ID de Registro: | 25798 |
|---|---|
| Identificador DC: | https://oa.upm.es/25798/ |
| Identificador OAI: | oai:oa.upm.es:25798 |
| Identificador DOI: | 10.1016/j.cpc.2013.07.011 |
| URL Oficial: | http://www.sciencedirect.com/science/article/pii/S... |
| Depositado por: | Memoria Investigacion |
| Depositado el: | 22 Abr 2015 16:30 |
| Ultima Modificación: | 21 Jun 2024 06:06 |
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