Modelo computacional para visualizar desplazamientos atómicos en cascada de materiales sometidos a radiación ionizante
Keywords:
Daños por radiación, Potencial de Lennard-Jones, Dinámica Molecular, Algoritmo de Verlet
Abstract
Este artículo presenta un modelo numérico simplificado para visualizar el proceso de desplazamientos en cascada de los átomos de un material. Esto se logra a través de una implementación computacional del potencial de Lennard-Jones y de la solución de las ecuaciones de movimiento mediante el algoritmo de Verlet. Como resultado del código desarrollado, es posible determinar la cantidad de átomos que se desplazan de sus posiciones iniciales.
References
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Osetsky, Y. N., Bacon, D. J., Singh, B. N., & Wirth, B. (2002). Atomistic study of the generation, interaction, accumulation and annihilation of cascade-induced defect clusters. Journal of Nuclear Materials, 307-311(1-4), 852-861.
Schilling, W., & Ullmaler, H. (2006). Physics of radiation damage In metals. Materials science and technology () Wlley-VCH Verlag GmbH & Co. KGaA.
Clément, L. (2010). Nuclear materials and Irradiation effects. Handbook of nuclear engineering (Cacuci,Dan.Gabriel, ed., pp. 543-642). Karlsruhe, Germany: Springer US. dol:978-0-387- 98149-9
Davies, J. H., & Ewart, F. T. (1971). The chemical effects of composition changes in irradiated oxide fuel materials. Journal of Nuclear Materials, 41(2), 143-155.
Elenius, M., & Oppelstrup, T. (2006). In School of Computer Science and Communication (Ed.), Molecular dynamics simulations, lab 2. http://www.nada.kth.se/~tomaso/miklab2007/Iab2_4h1725.pdf: KTH Royal Institute of Technology.
Guernet, G., Bruel, M., Gailliard, J. P., Garcia, M., & Robic, J. Y. (1977). Ion implantation in semiconductors and other materials.
Hudson, T. S., Dudarev, S. L., Caturla, M. J., & Sutton, A. P. (2005). Effects of elastic interactions on post-cascade radiation damage evolution in kinetic monte carlo simulations. Philosophical Magazine, 85(4-7), 661-675.
Jónsson, H., & Alexandersson, K. (2005). PhD thesis - classical trajectories (University of Iceland).
Klshlne, J., & Ovchinnikov, A. S. (2015). Chapter one - theory of monoaxial chiral helimagnet. Solid State Physics, 66, 1-130.
Koutsky, J., & Kocík, J. (1994). In Elsevier (Ed.), Radiation damage of structural materials (Materials science monographs 79 ed.). Amsterdam: Elsevier.
Manrique, C. B. (2005). PhD tesis - estudio del daño por radiación en aceros ferríticos (Universitat Politéctica de Catalunya).
Norgett, M. J., Robinson, M. T, & Torrens, I. M. (1975). A proposed method of calculating displacement dose rates. Nuclear Engineering and Design, 33(1), 50-54.
Osetsky, Y. N., Bacon, D. J., Singh, B. N., & Wirth, B. (2002). Atomistic study of the generation, interaction, accumulation and annihilation of cascade-induced defect clusters. Journal of Nuclear Materials, 307-311(1-4), 852-861.
Schilling, W., & Ullmaler, H. (2006). Physics of radiation damage In metals. Materials science and technology () Wlley-VCH Verlag GmbH & Co. KGaA.
How to Cite
Ochoa-Avendaño, J. F. (2016). Modelo computacional para visualizar desplazamientos atómicos en cascada de materiales sometidos a radiación ionizante. Revista De Investigación, 9(1), 71–81. https://doi.org/10.29097/2011-639X.41
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