Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials

Gubaev, Konstantin; Ikeda, Yuji; Tasnádi, Ferenc; Neugebauer, Jörg; Shapeev, Alexander V; Grabowski, Blazej; Körmann, Fritz

by Konstantin Gubaev, Yuji Ikeda, Ferenc Tasnádi, Jörg Neugebauer, Alexander V Shapeev, Blazej Grabowski, Fritz Körmann

Reference:

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials (Konstantin Gubaev, Yuji Ikeda, Ferenc Tasnádi, Jörg Neugebauer, Alexander V Shapeev, Blazej Grabowski, Fritz Körmann), Physical Review Materials, APS, volume 5, 2021.

Bibtex Entry:

@article{gubaev2021-finite-temp,
  title={Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials},
  author={Gubaev, Konstantin and Ikeda, Yuji and Tasn{\'a}di, Ferenc and Neugebauer, J{\"o}rg and Shapeev, Alexander V and Grabowski, Blazej and K{\"o}rmann, Fritz},
  journal={Physical Review Materials},
  volume={5},
  number={7},
  pages={073801},
  year={2021},
  publisher={APS}
}