期刊
PHYSICS OF METALS AND METALLOGRAPHY
卷 116, 期 5, 页码 445-455出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0031918X1503014X
关键词
uranium; uranium alloys; molybdenum; molecular dynamics; interatomic potential; phase transitions; diffusion
资金
- Federal Target Program New Generation of Nuclear Technologies and in Prospects [4x.44.90.13.1111]
- Russian Foundation for Basic Research [13-08-01428, SP-617.2012.2]
Results of investigations of the self-diffusion in gamma-uranium and metallic U-Mo alloys are presented. Calculations are performed using the method of atomistic modeling with the help of interatomic potentials based on the embedded-atom model and its modifications. Proposed potentials are verified by calculating thermodynamic and mechanical properties of uranium and U-Mo alloys. The formation energies of point defects and atomic diffusivities due to the diffusion of defects are calculated for gamma-uranium and alloy containing 9 wt % molybdenum. Self-diffusion coefficients of uranium and molybdenum are evaluated. Based on the data obtained, it has been concluded that the experimentally observed features of the self-diffusion in gamma-uranium can be explained by the prevalence of the interstitial mechanism.
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