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Physical Review Materials

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Phys. Rev. Materials (1)

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Ab initio relaxation volumes of transition metal solutes in iron and tungsten

Andrew R. Warwick^*, Jacob B. J. Chapman ^†, Duc Nguyen-Manh ^‡, Pui-Wai Ma ^§, and Sergei L. Dudarev ^∥

United Kingdom Atomic Energy Authority, Culham Campus, Abingdon OX14 3DB, United Kingdom

^*Contact author: Andrew.Warwick@ukaea.uk
^†Contact author: jbjchapman@gmail.com
^‡Contact author: Duc.Nguyen@ukaea.uk
^§Contact author: leo_ma55@hotmail.com
^∥Contact author: Sergei.Dudarev@ukaea.uk

Vacancy formation and migration energies in 15-15Ti and FeCrAl: A study from first principles

Nils Wikström, Ruihuan Li, Stephan Schönecker, Xiaoqing Li, and Pär Olsson

Phys. Rev. Materials 10 103608 (2026)

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