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.

View FullText article

DOI, HighWire, HighWire, Pubmed, Hubmed

Reviews [Write a review of this article]

There are no reviews of this article

Find related articles from these CiteULike users

softsimu, dchen, waitonhill

Find related articles with these CiteULike tags

diffusion, glasses, heterogeneity, mrk-diff, review, simulation, supercool, theory

Referat

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} }

RIS record

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

RIS BibTeX