AlCoCrCuFeNi high entropy alloy cluster growth and annealing on silicon: A classical molecular dynamics simulation study.

Lu Xie (1) , Pascal Brault (1) , Anne Lise Thomann (1) , Jean-Marc Bauchire (1)

1 GREMI - Groupe de recherches sur l'énergétique des milieux ionisés

Molecular dynamics simulations are carried out for describing deposition and annealing processes of AlCoCrCuFeNi high entropy alloy (HEA) thin films. Deposition results in the growth of HEA clusters. Further annealing between 300K and 1500K leads to a coalescence phenomenon, as described by successive jump in the root mean square displacement of atoms. The simulated X-ray diffraction patterns during annealing reproduces the main feature of the experiments: a phase transition of the cluster structure from bcc to fcc

Mots clés: Molecular dynamics simulation; thin film growth; cluster growth; high entropy alloy; magnetron sputter deposition

Domaines: Plasmas

Lu Xie, Pascal Brault, Anne Lise Thomann, Jean-Marc Bauchire. AlCoCrCuFeNi high entropy alloy cluster growth and annealing on silicon: A classical molecular dynamics simulation study.. Applied Surface Science, 2013, 285P, pp.810-816. ⟨hal-00904863⟩