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Point defect structures in hexagonal close packed metals and across the Periodic Table

Andrew R. Warwick, Pui-Wai Ma, and Sergei L. Dudarev

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

Phys. Rev. Materials 10 045402 (2026)

Achieving DFT accuracy in short range ordering and stacking fault energy using moment tensor potential for CoCrFeNi and CoCrNi

Mashroor S. Nitol, Artur Tamm, Subah Mubassira, Shuozhi Xu, and Saryu J. Fensin

Phys. Rev. Materials 10 053801 (2026)

Efficient and accurate interatomic potential for atomistic study of diffusion and precipitation in Cu-Ag-Co alloys

Sergei Starikov, Petr Grigorev, and Daria Smirnova

Phys. Rev. Materials 10 083403 (2026)

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