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Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids
Author(s) -
Hans Christian Andersen
Publication year - 2005
Publication title -
proceedings of the national academy of sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.0500946102
Subject(s) - supercooling , molecular dynamics , crossover , relaxation (psychology) , dynamics (music) , glass transition , chemical physics , homogeneous , coupling (piping) , dynamical heterogeneity , statistical physics , thermodynamics , materials science , chemistry , physics , computational chemistry , computer science , psychology , social psychology , artificial intelligence , acoustics , metallurgy , polymer , composite material
Supercooled liquids near the glass transition exhibit the phenomenon of heterogeneous relaxation; at any specific time, a nominally homogeneous equilibrium fluid undergoes dynamic fluctuations in its structure on a molecular distance scale with rates that are very different in different regions of the sample. Several theoretical and simulation studies have suggested a change in the nature of the dynamics of fluids as they are supercooled, leading to the concept of a dynamic crossover that is often associated with mode coupling theory. Here, we will review the use of molecular dynamics computer simulation methods to investigate heterogeneous dynamics and dynamic crossovers in models of atomic liquids.

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