Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid

by: Claudio Donati, Sharon C Glotzer, Peter H Poole, Walter Kob, Steven J Plimpton

Physical Review E, Vol. 60, No. 3. (1999), 3107.

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Abstract

Using extensive molecular dynamics simulations of an equilibrium; glass-forming Lennard-Jones mixture; we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large (“mobile”) or extremely small (“immobile”) displacements over a suitably chosen time interval. The immobile particles form the cores of relatively compact clusters; while the mobile particles move cooperatively and form quasi-one-dimensional; stringlike clusters. The strength and length scale of the correlations between mobile particles are found to grow strongly with decreasing temperature; and the mean cluster size appears to diverge near the mode-coupling critical temperature. We show that these correlations in the particle displacements are related to equilibrium fluctuations in the local potential energy and local composition.

@article{citeulike:1875705, abstract = {Using extensive molecular dynamics simulations of an equilibrium; glass-forming Lennard-Jones mixture; we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large (“mobile”) or extremely small (“immobile”) displacements over a suitably chosen time interval. The immobile particles form the cores of relatively compact clusters; while the mobile particles move cooperatively and form quasi-one-dimensional; stringlike clusters. The strength and length scale of the correlations between mobile particles are found to grow strongly with decreasing temperature; and the mean cluster size appears to diverge near the mode-coupling critical temperature. We show that these correlations in the particle displacements are related to equilibrium fluctuations in the local potential energy and local composition.}, author = {Donati, Claudio and Glotzer, Sharon C. and Poole, Peter H. and Kob, Walter and Plimpton, Steven J. }, citeulike-article-id = {1875705}, doi = {10.1103/PhysRevE.60.3107}, journal = {Physical Review E}, keywords = {glass, glotzer, mobility}, number = {3}, pages = {3107+}, posted-at = {2008-03-01 21:24:47}, priority = {2}, publisher = {American Physical Society}, title = {Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid}, url = {http://dx.doi.org/10.1103/PhysRevE.60.3107}, volume = {60}, year = {1999} }

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TY - JOUR ID - citeulike:1875705 L3 - citeulike-article-id:1875705 TI - Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid JF - Physical Review E VL - 60 IS - 3 SP - 3107 PB - American Physical Society N2 - Using extensive molecular dynamics simulations of an equilibrium; glass-forming Lennard-Jones mixture; we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large (“mobile”) or extremely small (“immobile”) displacements over a suitably chosen time interval. The immobile particles form the cores of relatively compact clusters; while the mobile particles move cooperatively and form quasi-one-dimensional; stringlike clusters. The strength and length scale of the correlations between mobile particles are found to grow strongly with decreasing temperature; and the mean cluster size appears to diverge near the mode-coupling critical temperature. We show that these correlations in the particle displacements are related to equilibrium fluctuations in the local potential energy and local composition. KW - glass KW - glotzer KW - mobility AU - Donati, Claudio AU - Glotzer, Sharon AU - Poole, Peter AU - Kob, Walter AU - Plimpton, Steven PY - 1999/// UR - http://dx.doi.org/10.1103/PhysRevE.60.3107 ER -

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