Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids*

The structure-dynamics correlations in a nonlocal manner were investigated in CuZr metallic glass-forming liquids via classical molecular dynamics simulations. A spatial coarse-graining approach was employed to incorporate the nonlocal structural information of given structural order parameters in the structure-dynamics relationship. It is found that the correlation between structure order parameters and dynamics increases with increasing coarse-graining length and has a characteristic length scale. Moreover, the characteristic correlation length exhibits a non-monotonic temperature evolution as temperature approaches glass transition temperature, which is not sensitive to the considered structure order parameters. Our results unveil a striking change in the structure-dynamics correlation, which involves no fitting theoretical interpretation. These findings provide new insight into the structure-dynamics correlation in glass transition.

Automated summary

A study on the structure-dynamics correlations in CuZr metallic glass-forming liquids using classical molecular dynamics simulations revealed an increase in correlation between structure order parameters and dynamics with increasing coarse-graining length, showing a characteristic length scale. The characteristic correlation length displays a non-monotonic temperature evolution near the glass transition temperature, with no sensitivity to the specific structure order parameters considered. These findings provide new insights into the structure-dynamics correlation in glass transition.