Configurational Entropy Effects on Glass Transition in Metallic Glasses

Ming Yang, Wenyue Li, Xiongjun Liu, Hui Wang, Yuan Wu, Xianzhen Wang, Fei Zhang, Qiaoshi Zeng, Dong Ma, Haihui Ruan, Zhaoping Lu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

3 Citations (Scopus)

Abstract

Configurational entropy (Sconf) is known to be a key thermodynamic factor governing a glass transition process. However, this significance remains speculative because Sconf is not directly measurable. In this work, we demonstrate the role of Sconf theoretically and experimentally by a comparative study of a Zr-Ti-Cu-Ni-Be high-entropy metallic glass (HE-MG) with one of its conventional MG counterparts. It is revealed that the higher Sconf leads to a glass that is energetically more stable and structurally more ordered. This is manifested by ab initio molecular dynamics simulations, showing that ∼60% fewer atoms are agitated above Tg, and experimental results of smaller heat capacity jump, inconspicuous stiffness loss, insignificant structural change during glass transition, and a more depressed boson peak in the HE-MG than its counterpart. We accordingly propose a model to explain that a higher Sconf promotes a faster degeneracy-dependent kinetics for exploration of the potential energy landscape upon glass transition.

Original languageEnglish
Pages (from-to)7889-7897
Number of pages9
JournalJournal of Physical Chemistry Letters
Volume13
Issue number33
DOIs
Publication statusPublished - 25 Aug 2022

ASJC Scopus subject areas

  • General Materials Science
  • Physical and Theoretical Chemistry

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