The directory has 3 sub-folders: 1. stage_1 - creates initial equilibrated structure for a particular HEA alloy composition, in the family of Fe Ni Cr Co Cu 2. tensile - example Lammps input script ...

a simple supersaturated solid-solution phase tends to form for high-entropy alloys. In fact, amorphous alloys are also approximatively considered as supersaturated solid-solution solids even though ...

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 ...

A phase transition from the fcc to a hexagonal close-packed (hcp) structure was found in NiCoCrFe starting at ... for the fcc to hcp phase transformation in NiCoCrFe solid solution alloy.

Alloying has long been used to confer desirable properties to materials. Typically, it involves the addition of relatively small amounts of secondary elements to a primary element. For the past decade ...