Thermal-pressure effects on energy state of metallic glass Cu50Zr50

MZ Wang and HS Liu and JY Mo and Y Zhang and Z Chen and CH Yin and WM Yang, COMPUTATIONAL MATERIALS SCIENCE, 155, 493-498 (2018).

DOI: 10.1016/j.commatsci.2018.09.018

Combined application of thermal and pressure are effective to obtain structure excited metallic glass with high energy state. This work studied the thermal-pressure effects on energy state, atomic level structure and tensile behavior during each separate fabrication stage (heating, equilibrating, and quenching) of Cu-50 Zr-50 metallic glasses by dynamic simulation. It is found that quenching under pressure is the most effective approach obtaining high energy state Cu-50 Zr-50 metallic glass among 4 designed methods. For the effective approach, the potential energy increases and the atomic volume decreases with pressure for Cu-50 Zr-50 metallic glass when the pressure is below 30 GPa, and the latter reaches its minimum at 30 GPa. Moreover, Cu-centered full icosahedron < 0, 0, 12, 0 > plays a dominant role in the formation of high energy structure, and Cu-50 Zr-50 metallic glass fabricated by method 3 under 30 GPa shows the most improved plasticity.

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