Justification of a Monte Carlo Algorithm for the Diffusion-Growth Simulation of Helium Clusters in Materials
ZHOU Yu-Lu2, HOU Qing1, WANG Jun1, DENG Ai-Hong2
1Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 6100612Department of Physics, Sichuan University, Chengdu 610061
Justification of a Monte Carlo Algorithm for the Diffusion-Growth Simulation of Helium Clusters in Materials
ZHOU Yu-Lu2, HOU Qing1, WANG Jun1, DENG Ai-Hong2
1Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 6100612Department of Physics, Sichuan University, Chengdu 610061
摘要A theoretical analysis of a Monte Carlo (MC) method for the simulation of the diffusion-growth of helium clusters in materials is presented. This analysis is based on an assumption that the diffusion-growth process consists of first stage, during which the clusters diffuse freely, and second stage in which the coalescence occurs with certain probability. Since the accuracy of MC simulation results is sensitive to the coalescence probability, the MC calculations in the second stage is studied in detail. Firstly, the coalescence probability is analytically formulated for the one-dimensional diffusion-growth case. Thereafter, the one-dimensional results are employed to justify the MC simulation. The choice of time step and the random number generator used in the MC simulation are discussed.
Abstract:A theoretical analysis of a Monte Carlo (MC) method for the simulation of the diffusion-growth of helium clusters in materials is presented. This analysis is based on an assumption that the diffusion-growth process consists of first stage, during which the clusters diffuse freely, and second stage in which the coalescence occurs with certain probability. Since the accuracy of MC simulation results is sensitive to the coalescence probability, the MC calculations in the second stage is studied in detail. Firstly, the coalescence probability is analytically formulated for the one-dimensional diffusion-growth case. Thereafter, the one-dimensional results are employed to justify the MC simulation. The choice of time step and the random number generator used in the MC simulation are discussed.
ZHOU Yu-Lu;HOU Qing;WANG Jun;DENG Ai-Hong. Justification of a Monte Carlo Algorithm for the Diffusion-Growth Simulation of Helium Clusters in Materials[J]. 中国物理快报, 2009, 26(9): 90202-090202.
ZHOU Yu-Lu, HOU Qing, WANG Jun, DENG Ai-Hong. Justification of a Monte Carlo Algorithm for the Diffusion-Growth Simulation of Helium Clusters in Materials. Chin. Phys. Lett., 2009, 26(9): 90202-090202.
[1] Donnelly S E 1985 Radiat. Eff. 90 1 [2] Anton M and Thierry W 2006 Nature Mater. 5 679 [3] Cowgill D F 2005 Fusion Sci. Technol. 48 539 [4] Morishita K, Sugano R and Wirth B D 2003 J. Nucl.Mater. 323 243 [5] Henriksson K O E, Nordlund K, Krasheninnikov A andKeinonen J 2005 Appl. Phys. Lett. 87 163113 [6] Ao B Y, Yang J Y, Wang X L and Hu W Y 2006 J. Nucl.Mater. 350 83 [7] Liu T J, Wang Y X, Pan Z Y, Jiang X M, Zhou L and Zhu J2006 Chin. Phys. Lett. 23 1261 [8] Djurabekova F G, Malerba L, Domain L, Becquart C S 2007 Nucl. Instrum. Methods B 255 47 [9] Wilson W D, Bisson C L and Baskes M I 1981 Phys.Rev. B 24 5616 [10] Wang J, Hou Q, Sun T Y, Wu Z C, Long X G, Wu X C and LuoS Z 2006 Chin. Phys. Lett. 23 1666 [11] Wang J, Hou Q, Sun T Y, Long X G, Wu X C and Luo S Z 2007 J. Appl. Phys. 102 093510 [12] Chen M, Hou Q, Wang J, Sun T Y, Long X G and Luo S Z 2008 Solid State Commun. 148 178 [13] Evans J H, Galindo R E and van Veen A 2004 Nucl.Instrum. Methods B 217 276 [14] Zheng H 2007 Acta Phys. Sin. 56 389 (inChinese) [15] Chandrasekhar S 1943 Rev. Mod. Phys. 15 1 [16] Press W H, Teukolsky S A, Vetterling W T and Flannery B P1992 Numerical Receipt in C (New York: Cambridge UniversityPress) p 287 [17] Hamming R W 1962 Numerical Methods for Scientistsand Engineers (New York: McGraw-Hill) pp 34 389