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

Journal Article · Fri Apr 29 00:00:00 EDT 2011 · Physical Review Letters

DOI:https://doi.org/10.1103/PHYSREVLETT.106.175702· OSTI ID:21538307

Berry, Joel; Grant, Martin ^[1]

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1. Physics Department, McGill University, 3600 rue University, Montreal, Quebec, H3A 2T8 (Canada)

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.

• OSTI ID: 21538307
• Journal Information: Physical Review Letters, Vol. 106, Issue 17; Other Information: DOI: 10.1103/PhysRevLett.106.175702; (c) 2011 American Institute of Physics; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

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