Atomic-scale simulation to study the dynamical properties and local structure of Cu-Zr and Ni-Zr metallic glass-forming alloys

• Published in: Physical chemistry chemical physics : PCCP Vol. 18; no. 1; pp. 7169 - 7183
• Main Authors: Yang, M. H, Li, Y, Li, J. H, Liu, B. X
• Format: Journal Article
• Language: English
• Published: England 14.03.2016
• Subjects: Amorphous materials; Binary systems; Copper; Dynamical systems; Dynamics; Glass formation; Metallic glasses; Nickel; Polyhedrons

Molecular dynamics simulation with well-developed EAM potentials was carried out to investigate the transport properties and local atomic structure of Cu-Zr and Ni-Zr metallic glasses and supercooled liquids. It is found that Cu or Ni atoms have much faster dynamics than Zr atoms in relaxation times...