Chemical Theory and Computation Special Feature: Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids

by: Hans C Andersen

PNAS, Vol. 102, No. 19. (10 May 2005), pp. 6686-6691.

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Abstract

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. 10.1073/pnas.0500946102

@article{citeulike:1259610, abstract = {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. 10.1073/pnas.0500946102}, author = {Andersen, Hans C. }, citeulike-article-id = {1259610}, doi = {http://dx.doi.org/10.1073/pnas.0500946102}, journal = {PNAS}, keywords = {heterogeneity, theory}, month = {May}, number = {19}, pages = {6686--6691}, posted-at = {2008-03-03 03:43:15}, priority = {2}, title = {Chemical Theory and Computation Special Feature: Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids}, url = {http://dx.doi.org/10.1073/pnas.0500946102}, volume = {102}, year = {2005} }

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TY - JOUR ID - citeulike:1259610 L3 - citeulike-article-id:1259610 N2 - 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. 10.1073/pnas.0500946102 IS - 19 JF - PNAS EP - 6691 TI - Chemical Theory and Computation Special Feature: Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids VL - 102 SP - 6686 KW - heterogeneity KW - theory AU - Andersen, Hans PY - 2005/05/10/ UR - http://dx.doi.org/10.1073/pnas.0500946102 ER -

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