Generalized stacking fault energy surfaces for eight face-centered cubic transition metals

Authors: Yanqing Su1*, Shuozhi Xu2, Irene Beyerlein3

  1. Department of Mechanical Engineering, University of California, Santa Barbara, Santa Barbara, CA 93106-5070, USA
  2. California NanoSystems Institute, University of California, Santa Barbara, Santa Barbara, CA 93106-6105, USA
  3. Department of Mechanical Engineering and Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106, USA
  • Corresponding author email: yanqingsu@ucsb.edu

DOI10.24435/materialscloud:2019.0041/v1 (version v1, submitted on 13 August 2019)

How to cite this entry

Yanqing Su, Shuozhi Xu, Irene Beyerlein, Generalized stacking fault energy surfaces for eight face-centered cubic transition metals, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0041/v1.

Description

Density functional theory calculations were used to obtain the generalized stacking fault energy surfaces in eight FCC metals: Ag, Au, Cu, Ir, Ni, Pd, Pt, and Rh. Among them, ferromagnetism was considered only in Ni. Results based on non-magnetic Ni are denoted as Ni-NM.

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File name Size Description
fcc_gamma_surface.zip
MD5MD5: 75b064aea1ba37dc2fa56546e16b7328
484.9 KiB For each metal, there are 65 and 101 gamma surface values along the <110> and <112> directions, respectively. The first and second columns are the displacements along the <110> and <112> directions, respectively, in units of their lattice periodicity length. The third column is the GSFE values, in units of mJ/m^2.

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.

Keywords

Density functional theory Face-centered cubic transition metals Generalized stacking fault energies

Version history

13 August 2019 [This version]