EAM potential for Hf-Nb-Ta-Zr high-entropy alloy
- Tata Research Development and Design Centre, TCS Research, Pune, India
- Laboratory of Crystallography, Department of Materials, ETH Zurich, Switzerland
DOI10.24435/materialscloud:2019.0052/v1 (version v1, submitted on 14 September 2019)
How to cite this entry
Soumyadipta Maiti, Walter Steurer, EAM potential for Hf-Nb-Ta-Zr high-entropy alloy, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0052/v1.
This is a LAMMPS readable EAM type potential file for Hf-Nb-Ta-Zr based high-entropy alloys (HEAs). In this potential file the elements are sequenced as Hf, Nb, Ta and Zr, respectively. This potential was previously used to model the HEA for the local lattice distortions due to short-range order clustering found in the alloy after long-term annealing at high-temperature. The input to build this potential is based on the physical properties of pure elements such as the lattice parameter, cohesive energy, elastic constants etc and the details are discussed in the associated reference. Units used are in eV/atom for energy and Angstrom for distance.
Materials Cloud sections using this data
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|568.2 KiB||The EAM potential file is attached hereby as a zipped file.|
|1.1 KiB||The descriptions about the attached EAM potential file is given in the README.txt file.|
14 September 2019 [This version]