skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals

Abstract

The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase-field crystal free energies and dynamic density functional theory is shown to successfully describe several aspects of glass formation over multiple time scales. Agreement with mode coupling theory is demonstrated for underdamped liquids at moderate supercoolings, and a rapidly growing dynamic correlation length is found to be associated with fragile behavior.

Authors:
;  [1]
  1. Physics Department, McGill University, 3600 rue University, Montreal, Quebec, H3A 2T8 (Canada)
Publication Date:
OSTI Identifier:
21538307
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 106; Journal Issue: 17; Other Information: DOI: 10.1103/PhysRevLett.106.175702; (c) 2011 American Institute of Physics; Journal ID: ISSN 0031-9007
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 36 MATERIALS SCIENCE; ATOMIC NUMBER; CORRELATIONS; COUPLING; CRYSTALS; DENSITY; DENSITY FUNCTIONAL METHOD; FIELD THEORIES; FREE ENERGY; GLASS; LIQUIDS; SIMULATION; STOCHASTIC PROCESSES; SUPERCOOLING; CALCULATION METHODS; COOLING; ENERGY; FLUIDS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; VARIATIONAL METHODS

Citation Formats

Berry, Joel, and Grant, Martin. Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals. United States: N. p., 2011. Web. doi:10.1103/PHYSREVLETT.106.175702.
Berry, Joel, & Grant, Martin. Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals. United States. https://doi.org/10.1103/PHYSREVLETT.106.175702
Berry, Joel, and Grant, Martin. 2011. "Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals". United States. https://doi.org/10.1103/PHYSREVLETT.106.175702.
@article{osti_21538307,
title = {Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals},
author = {Berry, Joel and Grant, Martin},
abstractNote = {The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase-field crystal free energies and dynamic density functional theory is shown to successfully describe several aspects of glass formation over multiple time scales. Agreement with mode coupling theory is demonstrated for underdamped liquids at moderate supercoolings, and a rapidly growing dynamic correlation length is found to be associated with fragile behavior.},
doi = {10.1103/PHYSREVLETT.106.175702},
url = {https://www.osti.gov/biblio/21538307}, journal = {Physical Review Letters},
issn = {0031-9007},
number = 17,
volume = 106,
place = {United States},
year = {Fri Apr 29 00:00:00 EDT 2011},
month = {Fri Apr 29 00:00:00 EDT 2011}
}