Effect of alloying element content, temperature, and strain rate on the mechanical behavior of NbTiZrMoV high entropy alloy: A molecular dynamics study
doi: https://doi.org/10.1016/j.mtcomm.2024.110071
Operating systems: Windows 11, version 23H2
Versions of software: LAMMPS 64-bit 2Aug2023-MSMPI
Any required non-standard hardware: No
Instructions to install: https://docs.lammps.org/Install_windows.html
Instructions to run on data: mpiexec -np xx lmp -in input.lmp (xx is the number of processors to use)
Expected output: "stress-curve-xx.txt" for stress data; "dump.xx" for atomic configurations
Expected run time: several hours to several days depends on the number of processors
- Structure: High entropy alloy structure can be created using LAMMPS script or atomsk command.
- Simulation:
- "NbTiZrMoV.lmp" is the structure model created LAMMPS script or atomsk.
- "library.meam", "NbTiZrMoV.meam" are the interatomic potential files.
- "input.lmp" is the file to define the simulation script