Freezing and glass transition of hard spheres in cavities

by: ZT Németh, H Löwen

Physical Review E, Vol. 59, No. 6. (June 1999), pp. 6824-6829.

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摘要

Dynamical and static properties of N =13-4000 hard spheres in spherical cavities with smooth and rough walls have been calculated by molecular-dynamics computer simulations. We use a dynamical criterion to distinguish between fluidlike and solidlike states. The associated crossover densities show a strong dependence both on the system size and on the surface roughness. For large N ; these crossover densities tend to the bulk glass transition density for rough walls and to the bulk crystallization density for smooth walls. The crossover densities for finite N are found to be significantly smaller than the corresponding bulk densities. A detailed examination of the layer-resolved radial- and tangential mean-square displacements reveals qualitatively different dynamics for smooth and rough cavities.

@article{lowen99, abstract = {Dynamical and static properties of N =13-4000 hard spheres in spherical cavities with smooth and rough walls have been calculated by molecular-dynamics computer simulations. We use a dynamical criterion to distinguish between fluidlike and solidlike states. The associated crossover densities show a strong dependence both on the system size and on the surface roughness. For large N ; these crossover densities tend to the bulk glass transition density for rough walls and to the bulk crystallization density for smooth walls. The crossover densities for finite N are found to be significantly smaller than the corresponding bulk densities. A detailed examination of the layer-resolved radial- and tangential mean-square displacements reveals qualitatively different dynamics for smooth and rough cavities.}, author = {N{\'e}meth, Z. T. and L{\"o}wen, H. }, citeulike-article-id = {1676868}, doi = {http://dx.doi.org/10.1103/PhysRevE.59.6824}, journal = {Physical Review E}, keywords = {confinement, glass, goldman, hard-sphere, simulation}, month = {June}, number = {6}, pages = {6824--6829}, posted-at = {2007-09-19 19:42:35}, priority = {0}, publisher = {American Physical Society}, title = {Freezing and glass transition of hard spheres in cavities}, url = {http://dx.doi.org/10.1103/PhysRevE.59.6824}, volume = {59}, year = {1999} }

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TY - JOUR ID - lowen99 L3 - citeulike-article-id:1676868 N2 - Dynamical and static properties of N =13-4000 hard spheres in spherical cavities with smooth and rough walls have been calculated by molecular-dynamics computer simulations. We use a dynamical criterion to distinguish between fluidlike and solidlike states. The associated crossover densities show a strong dependence both on the system size and on the surface roughness. For large N ; these crossover densities tend to the bulk glass transition density for rough walls and to the bulk crystallization density for smooth walls. The crossover densities for finite N are found to be significantly smaller than the corresponding bulk densities. A detailed examination of the layer-resolved radial- and tangential mean-square displacements reveals qualitatively different dynamics for smooth and rough cavities. IS - 6 JF - Physical Review E EP - 6829 TI - Freezing and glass transition of hard spheres in cavities PB - American Physical Society VL - 59 SP - 6824 KW - confinement KW - glass KW - goldman KW - hard-sphere KW - simulation AU - N{\'e}meth, ZT AU - L{\"o}wen, H PY - 1999/06// UR - http://dx.doi.org/10.1103/PhysRevE.59.6824 ER -

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