Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses

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Authors

Organisational units

External Organisational units

  • Erich Schmid Institute of Materials Science
  • Technische Universität Darmstadt
  • Shi-Changxu Innovation Center for Advanced Materials

Abstract

Understanding the atomistic mechanisms of relaxation dynamics in metallic glasses remains a longstanding challenge. Here, using microsecond time scale molecular dynamics simulations, three main relaxation stages in metallic glasses are identified. At about 0.6T, chemical composition plays a dominant role in the relaxation, manifested by stress accumulation and only minimal variations in structure. As T approaches, the confluence of structural heterogeneity and chemical composition leads to the decoupling of relaxation mechanisms. At this temperature, the relaxation results in a structure with a lower energy state and a lower level of stress. In the supercooled liquid regime, an extensive increase in the number of closed-packed icosahedral clusters is responsible for accelerated structural relaxation while their packing frustration leads to the accumulation of intrinsic residual stresses in the glass. The atomistic origin of these dynamic relaxation modes is discussed in terms of structural, chemical composition and stress variations.

Details

Original languageEnglish
Article number120033
Number of pages7
JournalActa Materialia
Volume275.2024
Issue number15 August
DOIs
Publication statusPublished - 15 Aug 2024