Hopping in a supercooled binary Lennard-Jones liquid

by: Thomas B Schroder, Jeppe C Dyre

Journal of Non-Crystalline Solids, Vol. 235-237 (2 August 1998), pp. 331-334.

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Abstract

A binary Lennard-Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4[pi]r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function. To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages", as often argued, and that the system has a single-peaked distribution of hopping-distances centered around the characteristic intermolecular distance.

@article{citeulike:2517847, abstract = {A binary Lennard-Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4[pi]r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function. To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages", as often argued, and that the system has a single-peaked distribution of hopping-distances centered around the characteristic intermolecular distance.}, author = {Schroder, Thomas B. and Dyre, Jeppe C. }, citeulike-article-id = {2517847}, doi = {10.1016/S0022-3093(98)00564-X}, journal = {Journal of Non-Crystalline Solids}, month = {August}, pages = {331--334}, posted-at = {2008-03-12 04:37:21}, priority = {2}, title = {Hopping in a supercooled binary Lennard-Jones liquid}, url = {http://dx.doi.org/10.1016/S0022-3093(98)00564-X}, volume = {235-237}, year = {1998} }

RIS record

TY - JOUR ID - citeulike:2517847 L3 - citeulike-article-id:2517847 TI - Hopping in a supercooled binary Lennard-Jones liquid JF - Journal of Non-Crystalline Solids VL - 235-237 SP - 331 EP - 334 N2 - A binary Lennard-Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4[pi]r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function. To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages", as often argued, and that the system has a single-peaked distribution of hopping-distances centered around the characteristic intermolecular distance. AU - Schroder, Thomas AU - Dyre, Jeppe PY - 1998/08/02/ UR - http://dx.doi.org/10.1016/S0022-3093(98)00564-X ER -

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