The metallic glass-forming region of a ternary metal system predicted by interatomic potential through molecular dynamics simulation

摘要

A scheme using molecular dynamics simulation is proposed to predict the glass-forming region (GFR) of a ternary metal system. Applying the proposed scheme, the GFR of the Ni–Hf–Ti ternary system is predicted to be an approximate quadrilateral region, the compositions of the four vertexes of which are determined to be Ni15Hf85Ti0, Ni15Hf0Ti85, Ni60Hf0Ti40 and Ni77Hf23Ti0, respectively. Importantly, the prediction from the proposed scheme matches well with the experimental observations and are in accordance with some proposed empirical rules.