Investigation of point defects diffusion in bcc uranium and U–Mo alloys
We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–...
Saved in:
Published in | Journal of nuclear materials Vol. 458; pp. 304 - 311 |
---|---|
Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
01.03.2015
|
Subjects | |
Online Access | Get full text |
Cover
Loading…
Summary: | We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–9wt.%Mo alloy. The calculated diffusivities of atoms via defects are provided for pure γ-U and for the alloy components.
Analysis of simulation results shows that self-interstitial atoms play a leading role in the self-diffusion processes in the materials studied. This fact can explain a remarkably high self-diffusion mobility observed experimentally for γ-U. The self-diffusion coefficients in γ-U calculated in this assumption agree with the data measured experimentally. It is shown that alloying of γ-U with Mo increase formation energy for self-interstitial atoms and decelerate their mobility. These changes lead to decrease of self-diffusion coefficients in U–Mo alloy compared to pure U. |
---|---|
Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0022-3115 1873-4820 |
DOI: | 10.1016/j.jnucmat.2014.12.080 |