title: Glass forming region of Cu-Ti-Hf ternary metal system derived from the n-body potential through molecular dynamics simulation.
abstract: An n-body potential is constructed for the Cu-Ti-Hf ternary metal system under a recently proposed formalism named long-range empirical potential. Applying the proven relevant Cu-Ti-Hf potential, molecular dynamics simulations are carried out using solid solution model to compare the relative stability of the crystalline solid solution versus its disordered counterpart as a function of solute concentration. The simulation results not only reveal that the physical origin of the crystal-to-amorphous transition is the collapse of the crystalline lattice, while the solute atoms exceed the critical value, but also predict a region in the composition triangle energetically favored for the Cu-Ti-Hf ternary metallic glass formation. Interestingly, the prediction directly from the n-body potential is supported by the experimental observations and is in accordance with the so-called structural difference rule.
authors.affiliation: Advanced Materials Laboratory, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, People's Republic of China.
authors.forename: S H
authors.initials: SH
authors.lastname: Liang
authors.forename: Y
authors.initials: Y
authors.lastname: Dai
authors.forename: J H
authors.initials: JH
authors.lastname: Li
authors.forename: B X
authors.initials: BX
authors.lastname: Liu