Revealing Structural Changes at Glass Transition via Radial Distribution Functions

Michael I. Ojovan, Dmitri V. Louzguine-Luzgin

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Transformation of glasses into liquids is discussed in terms of configuron (broken chemical bond or transformation of an atom from one to another atomic shell) percolation theory with structural changes caused. The first sharp diffraction minimum (FSDM) in the pair distribution function (PDF) is shown to contain information on structural changes in amorphous materials at the glass transition temperature (Tg). A method to determine the glass transition temperature is proposed based on allocating Tg to the temperature when a sharp kink in FSDM occurs. The method proposed is more sensitive compared with empirical criterion of Wendt-Abraham; e.g., for amorphous Ni the kink that determines Tg is almost twice sharper. Connection between the kink in fictive temperature behavior of PDF and Wendt-Abraham criterion is discussed.

Original languageEnglish
Pages (from-to)3186-3194
Number of pages9
JournalJournal of Physical Chemistry B
Volume124
Issue number15
DOIs
Publication statusPublished - 2020 Apr 16

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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