Relationship between Voronoi entropy and the viscosity of Zr36Cu64 alloy melt based on molecular dynamics**Project supported by the National Basic Research Program of China (Grant No. 2013CB733000) and the National Natural Science Foundation of China (Grant Nos. 51271161 and 51271162).

Abstract

Molecular dynamics simulation is used to investigate the relationship between Voronoi entropy and viscosity for rapid solidification processing of Zr36Cu64 binary alloy melt. The simulation results at different temperatures, cooling rates, and pressures, show that Voronoi entropy is able to accurately describe the relationship of the transition between the cluster structure and the viscosity of Zr36Cu64 binary alloy melt through Voronoi polyhedron analysis. That is, the higher the degree of order of the microstructure, the lower the Voronoi entropy is and the higher the viscosity is. The simulation provides an important reference for studying metallic glass with high glass-forming ability.