Medium-range atomic correlation in simple liquids. II. Theory of temperature dependence

Egami, Takeshi; Ryu, Chaewoo

doi:10.1103/physreve.104.064110

Medium-range atomic correlation in simple liquids. II. Theory of temperature dependence

Journal Article · Wed Dec 08 23:00:00 EST 2021 · Physical Review E

DOI:https://doi.org/10.1103/physreve.104.064110· OSTI ID:1836451

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Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

The spatial atomic correlations in liquids and glasses extend often significantly beyond the nearest neighbors. Such correlations, called the medium-range order (MRO), affect many physical properties, but their nature is not well understood. In this article the variation of the MRO with temperature is calculated based upon the concept of the atomic-level pressure, focusing on simple liquids, such as metallic liquids. It is shown that the structural coherence length that characterizes MRO follows the Curie-Weiss law with a negative Curie temperature as observed by experiment and simulation. It is also shown that the glass transition is induced by freezing of the MRO, rather than the freezing of the nearest-neighbor shell. The implications of these results are discussed.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1836451

Journal Information:: Physical Review E, Journal Name: Physical Review E Journal Issue: 6 Vol. 104; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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