Chin. Phys. Lett.  2014, Vol. 31 Issue (04): 047101    DOI: 10.1088/0256-307X/31/4/047101
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Molecular Dynamics Simulation of Xe Behavior in U-Mo Alloys Fuel
XIAO Hong-Xing1**, TANG Rui1, TIAN Xiao-Feng2, LONG Chong-Sheng1
1Science and Technology on Reactor Fuel and Materials Laboratory, Nuclear Power Institute of China, Chengdu 610041
2The College of Nuclear Technology and Automation Engineering, Chengdu University of Technology, Chengdu 610059
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XIAO Hong-Xing, TANG Rui, TIAN Xiao-Feng et al  2014 Chin. Phys. Lett. 31 047101
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Abstract Classical molecular dynamics simulations are used to investigate the fission gas Xe behavior in a U-Mo alloy fuel matrix. The embedded atom method potential proposed by Smirnova et al. is used to describe the U-Mo-Xe system. The results show that the initial configuration of interstitial Xe atoms in U-Mo alloys is very instable and has a strong tendency to get together and to form a Xe bubble by ejecting the adjacent U atoms and Mo atoms from their former normal lattice sites. The pressure in Xe bubbles is initially quite high and then drops with increasing Xe concentration obviously. The matrix swelling of U-Mo alloys associated with the Xe bubble growth follows approximately a linear relationship with the ratio of Xe to U at low Xe concentration while the rate of swelling increases rapidly at high Xe concentration. The simulation results are in good agreement with the experimental data. The recovery of the damaged structure in the U-Mo alloys matrix is also investigated. It is shown that a damaged structure cannot be recovered completely after a system is relaxed for a long time while still having lots of defects.
Received: 17 October 2013      Published: 25 March 2014
PACS:  71.15.Pd (Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)  
  28.41.Ak (Theory, design, and computerized simulation)  
  61.66.Dk (Alloys )  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/31/4/047101       OR      https://cpl.iphy.ac.cn/Y2014/V31/I04/047101
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XIAO Hong-Xing
TANG Rui
TIAN Xiao-Feng
LONG Chong-Sheng
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