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Molecular dynamics study of helium bubble pressure in titanium |
| Zhang Bao-Ling(张宝玲), Wang Jun(汪俊), and Hou Qing(侯氢)† |
| Key Laboratory for Radiation Physics and Technology (Sichuan University), Minister Education; and Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China |
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Abstract In this paper, the pressure state of the helium bubble in titanium is simulated by a molecular dynamics (MD) method. First, the possible helium/vacancy ratio is determined according to therelation between the bubble pressure and helium/vacancy ratio; then the dependences of the helium bubble pressure on the bubble radius at different temperatures are studied. It is shown that the product of the bubble pressure and the radius is approximately a constant, a result justifying the pressure-radius relation predicted by thermodynamics-based theory for gas bubble. Furthermore, a state equation of the helium bubble is established based on the MD calculations. Comparison between the results obtained by the state equation and corresponding experimental data shows that the state equation can describe reasonably the state of helium bubble and thus could be used for Monte Carlo simulations of the evolution of helium bubble in metals.
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Received: 29 June 2010
Revised: 08 October 2010
Accepted manuscript online:
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PACS:
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61.72.J-
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(Point defects and defect clusters)
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61.82.-d
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(Radiation effects on specific materials)
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64.30.Jk
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(Equations of state of nonmetals)
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62.50.-p
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(High-pressure effects in solids and liquids)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10775101) and National Magnetic Confinement Fusion Program of China (Grant No. 2009GB106004). |
Cite this article:
Zhang Bao-Ling(张宝玲), Wang Jun(汪俊), and Hou Qing(侯氢) Molecular dynamics study of helium bubble pressure in titanium 2011 Chin. Phys. B 20 036105
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