The effect of local short-range order in disordered V-Ti solid solutions on the vacancy formation energy
Using ab initio modeling methods, we studied the effect of local short-range order in disordered V-Ti solid solutions on the vacancy formation energy. The results show that the vacancy formation energy significantly depends on the arrangement of titanium atoms in the vicinity of the vacancy and decreases with increasing their number. Moreover, the vacancy formation energy from the knockout of titanium atoms is significantly lower than that from the removal of a vanadium atom. Keywords: V-Ti alloys, solid solutions, vacancies, ab initio modeling, vacancy formation energy.
- S.J. Zinkle, H. Matsui, D.L. Smith, A.F. Rowcliffe, E. van Osch, K. Abe, V.A. Kazakov. J. Nucl. Mater. 258, 205 (1998)
- R.J. Kurtz, K. Abe, V.M. Chernov, D.T. Hoelzer, H. Matsui, T. Muroga, G.R. Odette. J. Nucl. Mater. 329, 47 (2004)
- I.I. Chernov, M.S. Staltsov. Tsvetn. Metaly N 11, 77 (2016) (in Russian)
- P. Zhang, J. Zhao,Y. Qin, B. Wen. J. Nucl. Mater. 413, 2, 90 (2011)
- P. Zhang, T. Zou, J. Zhao, P. Zheng. J. Chen, Nucl.Instr. B352, 121 (2015)
- P. Zhang, X. Wang, M. Wei, Y. Wang, T. Zou. Nucl. Mater. Energy 31, 101189 (2022)
- A.O. Boev, D.A. Aksyonov, A.I. Kartamyshev, V.N. Maksimenko, I.V. Nelasov, A.G. Lipnitskii. J. Nucl. Mater. 492, 14 (2017)
- J. Wang, B.J. Lee. Comp. Mater. Sci., 188, 110177 (2021)
- D. Connetable, J. Huez, E. Andrieu, C. Mijoule. J. Phys.: Condens. Matter. 23, 405401 (2011)
- M. Ostrooumov, Y. Taran. Mineralogical Magazine, 80 (2), 371 (2016)
- T. Hagi, Y. Sato, M. Yasuda, K. Tanaka. Trans. Japan Inst. Metals, 28 (3), 198 (1987)
- Q. Zhang, L. Li, H. Huang, S. Chen, N. Jia, Y. Dong, X. Guo, K. Jin, Y. Xue, J. Nucl. Mater. 596, 155078 (2024)
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