Brute force composition scanning with a CALPHAD database to find low temperature body centered Cubic High Entropy alloys

We used the Thermo-Calc High Entropy Alloy CALPHAD database to determine the stable phases of AlCrMnNbTiV, AlCrMoNbTiV, AlCrFeTiV and AlCrMnMoTi alloys from 800 to 2800 K. The concentrations of elements were varied from 1-49 atom%. A five- or six-dimensional grid is constructed, with stable phases calculated at each grid point. Thermo-Calc...

Molecular dynamics simulation of graphene on Cu (1 0 0) and (1 1 1) surfaces