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First-Principles Study of Mechanical Property and Electronic Structure of Quenching and Aging U-Ti Alloy

[+] Author Affiliations
Jianbo Qi

Shanghai University, Shanghai, ChinaChina North Nuclear Fuel Co. Ltd., Baotou, China

Hong Guo

China North Nuclear Fuel Co. Ltd., Baotou, China

Guangxin Wu, Jieyu Zhang

Shanghai University, Shanghai, China

Kuochih Chou

Shanghai University, Shanghai, ChinaUniversity of Science and Technology Beijing, Beijing, China

Paper No. ICONE21-15440, pp. V002T05A009; 6 pages
doi:10.1115/ICONE21-15440
From:
  • 2013 21st International Conference on Nuclear Engineering
  • Volume 2: Plant Systems, Construction, Structures and Components; Next Generation Reactors and Advanced Reactors
  • Chengdu, China, July 29–August 2, 2013
  • Conference Sponsors: Nuclear Engineering Division
  • ISBN: 978-0-7918-5579-9
  • Copyright © 2013 by ASME

abstract

We use the first principles plane wave pseudopotential method calculated the mechanical property with respect to the quenching and aging process of uranium-1.3 wt.% titanium alloy, including the elastic modulus, bulk modulus, Young’s shear modulus and the ideal tensile strength, meanwhile deeply research on the mechanical property mechanism changes through t-he electronic structure. The results show that t-he elastic modulus and ideal tensile strength of quenching state are 198GP and 21.2GP, respectively, and slightly improving through aging treatment. The variation of energy and electronic structure of uranium-titanium solid solution in process of quenching indicate the phase transition from γ phase (cubic structure) to α′ phase (orthorhombic structure) lead to improve to the mechanical property. In process of aging, at the beginning the metastable supersaturated solid solution appears Guinier-Preston (G.P) zones, which are aggregate of solute atoms in the uranium matrix, further improving the tensile strength. Then U2Ti (hexagonal structure) precipitates present in over-aged process as a result of decomposition of metastable α′ phase and reduce the tensile strength. The result shows that the G.P/matrix and precipitate/matrix interfaces have ideal work of adhesion are 15.2eV and 12.5eV, respectively. Our results demonstrate theoretically quenching and aging heat treatment strengthening effect of uranium-titanium alloy.

Copyright © 2013 by ASME

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