materialscloud:2020.0001/v1
Published January 6, 2020 | Version v1
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Generalized stacking fault energy curves for six body-centered cubic refractory metals

Creators

  • 1. California NanoSystems Institute, University of California, Santa Barbara, Santa Barbara, CA 93106-6105, USA
  • 2. Department of Mechanical Engineering, University of California, Santa Barbara, Santa Barbara, CA 93106-5070, USA
  • 3. Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106-5050, USA
  • 4. Department of Mechanical Engineering and Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106, USA

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Description

Density functional theory calculations were used to obtain the generalized stacking fault energy curves in six BCC metals: Cr, Mo, Nb, Ta, V, and W. Among them, antiferromagnetism was considered only in Cr. Results based on non-magnetic Cr are denoted as Cr-NM.

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References

Journal reference
Shuozhi Xu, Yanqing Su, Lauren T.W. Smith, Irene J. Beyerlein, Journal of the Mechanics and Physics of Solids, 141, 104017 (2020), doi: 10.1016/j.jmps.2020.104017

Journal reference
Shuozhi Xu, Yanqing Su, Lauren T.W. Smith, Irene J. Beyerlein, Journal of the Mechanics and Physics of Solids, 141, 104017 (2020)