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Helium nanobubble release from Pd surface: An atomic simulation

Published online by Cambridge University Press:  01 January 2011

Liang Wang ,
Wangyu Hu ,
Huiqiu Deng ,
Shifang Xiao ,
Jianyu Yang ,
Fei Gao ,
Howard L. Heinisch  and
Shilin Hu
Liang Wang
Affiliation:
Department of Applied Physics, Hunan University, Changsha 410082, China
Wangyu Hu*
Affiliation:
Department of Applied Physics, Hunan University, Changsha 410082, China
Huiqiu Deng
Affiliation:
Department of Applied Physics, Hunan University, Changsha 410082, China
Shifang Xiao
Affiliation:
Department of Applied Physics, Hunan University, Changsha 410082, China
Jianyu Yang
Affiliation:
Department of Applied Physics, Hunan University, Changsha 410082, China
Fei Gao*
Affiliation:
Pacific Northwest National Laboratory, Richland, Washington 99352
Howard L. Heinisch
Affiliation:
Pacific Northwest National Laboratory, Richland, Washington 99352
Shilin Hu
Affiliation:
China Institute of Atomic Energy, Beijing 102413, China
*
a)Address all correspondence to these authors. e-mail: wangyuhu2001cn@yahoo.com.cn
b)e-mail: fei.gao@pnl.gov
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Abstract

Molecular dynamic simulations of helium atoms escaping from a helium-filled nanobubble near the surface of crystalline palladium reveal unexpected behavior. Significant deformation and cracking near the helium bubble occur initially, and then a channel forms between the bubble and the surface, providing a pathway for helium atoms to propagate toward the surface. The helium atoms erupt from the bubble in an instantaneous and volcano-like process, which leads to surface deformation consisting of cavity formation on the surface, along with modification and atomic rearrangement at the periphery of the cavity. The present simulation results show that, near the palladium surface, there is a helium-bubble-free zone, or denuded zone, with a typical thickness of about 3.0 nm. Combined with experimental measurements and continuum-scale evolutionary model predictions, the present atomic simulations demonstrate that the thickness of the denuded zone, which contains a low concentration of helium atoms, is somewhat larger than the diameter of the helium bubbles in the metal tritide. Furthermore, a relationship between the tensile strength and thickness of metal film is also determined.

Type
Articles
Information
Journal of Materials Research , Volume 26 , Issue 3 , 14 February 2011 , pp. 416 - 423
Copyright
Copyright © Materials Research Society 2011

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