Dynamics of Probes in Model Glassy Matrices

by: Kamakshi Jagannathan, Bong J Sung, Arun Yethiraj

Physical Review Letters, Vol. 97, No. 14. (2006)

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Abstract

The dynamics of diatomic probe molecules in matrices composed of hard spheres are studied using molecular dynamics simulations. The matrix particles are connected to fixed attachment points by strings of length, l, which is varied from l (fluid) to 0 ("glass"). The probe diffusion coefficient, D interpolates smoothly between these limits when l is changed. As l is decreased, D displays a transition from a power-law l dependence, which is well fit by the mode-coupling theory expression, to an Arrhenius l dependence. Single particle analysis shows that the hopping motion sets in for l much larger than a critical length, lc, and Arrhenius behavior occurs when hopping becomes the dominant mode of transport. The system displays dynamic heterogeneity even though there is no growing dynamic correlation length of any kind.

@article{citeulike:890176, abstract = {The dynamics of diatomic probe molecules in matrices composed of hard spheres are studied using molecular dynamics simulations. The matrix particles are connected to fixed attachment points by strings of length, l, which is varied from l (fluid) to 0 (\"glass\"). The probe diffusion coefficient, D interpolates smoothly between these limits when l is changed. As l is decreased, D displays a transition from a power-law l dependence, which is well fit by the mode-coupling theory expression, to an Arrhenius l dependence. Single particle analysis shows that the hopping motion sets in for l much larger than a critical length, lc, and Arrhenius behavior occurs when hopping becomes the dominant mode of transport. The system displays dynamic heterogeneity even though there is no growing dynamic correlation length of any kind.}, author = {Jagannathan, Kamakshi and Sung, Bong J. and Yethiraj, Arun }, citeulike-article-id = {890176}, doi = {http://dx.doi.org/10.1103/PhysRevLett.97.145503}, journal = {Physical Review Letters}, keywords = {glass, heterogeneity, simulation, tracer}, number = {14}, posted-at = {2006-10-09 15:54:50}, priority = {2}, publisher = {APS}, title = {Dynamics of Probes in Model Glassy Matrices}, url = {http://dx.doi.org/10.1103/PhysRevLett.97.145503}, volume = {97}, year = {2006} }

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TY - JOUR ID - citeulike:890176 L3 - citeulike-article-id:890176 TI - Dynamics of Probes in Model Glassy Matrices JF - Physical Review Letters VL - 97 IS - 14 PB - APS N2 - The dynamics of diatomic probe molecules in matrices composed of hard spheres are studied using molecular dynamics simulations. The matrix particles are connected to fixed attachment points by strings of length, l, which is varied from l (fluid) to 0 ("glass"). The probe diffusion coefficient, D interpolates smoothly between these limits when l is changed. As l is decreased, D displays a transition from a power-law l dependence, which is well fit by the mode-coupling theory expression, to an Arrhenius l dependence. Single particle analysis shows that the hopping motion sets in for l much larger than a critical length, lc, and Arrhenius behavior occurs when hopping becomes the dominant mode of transport. The system displays dynamic heterogeneity even though there is no growing dynamic correlation length of any kind. KW - glass KW - heterogeneity KW - simulation KW - tracer AU - Jagannathan, Kamakshi AU - Sung, Bong AU - Yethiraj, Arun PY - 2006/// UR - http://dx.doi.org/10.1103/PhysRevLett.97.145503 ER -

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