Structural entropy of glass-forming liquid

Abstract

Drawing on Shannon entropy, we developed a parameter called “structural entropy,” which is derived uniquely from atomic configurations and serves to measure the evolution of disorder during the glass transition. We applied this parameter to the glass transition in the CuZrAl system. A comparison with configurational entropy suggests that both may fundamentally encapsulate the same physical concept: the system’s level of disorder. This new structural entropy parameter bridges the gap between the macroscopic properties and the microscopic structure of glass, offering insights into the mechanisms underlying the glass transition.