TY - JOUR
T1 - Spatial dimensionality dependence of long-time diffusion on two- and three-dimensional systems near glass transition
AU - Terada, Yayoi
AU - Tokuyama, Michio
N1 - Funding Information:
Authors thank E. Kohira for calculating the partial data of three-dimensional hard sphere fluid. This work was partially supported by Grant-in-aid for Science Research No. (C)18540363 from the Ministry of Education, Culture, Sports, Science and Technology of Japan and by World Premier International Research Center Initiative (WPI Initiative), MEXT , Japan. The calculations were performed using the SGI Altix3700Bx2 at the Advanced Fluid Information Research Center, the Institute of Fluid Science, Tohoku University.
PY - 2010/10
Y1 - 2010/10
N2 - The long-time diffusion process of hard disks is compared with that of hard spheres by performing extensive event-driven molecular simulations. The volume fraction dependence of the mean-square displacements, the self-intermediate scattering function, and the non-Gaussian parameter of both systems are fully investigated. The singular function, which has been theoretically proposed for three-dimensional systems by Tokuyama [Physica, vol. 364 (2006) 23-62], is found to describe the long-time self-diffusion coefficient of both hard disks and hard spheres. The characteristic times of the β relaxation process and the α relaxation process of hard disks are also found to be similar to those of hard spheres when the particles had the same long-time self-diffusion coefficient. The spatial dimension d changes the value of the glass transition point and peak height of the non-Gaussian parameter which are related to the geometric packing characteristics of hard disks and hard spheres.
AB - The long-time diffusion process of hard disks is compared with that of hard spheres by performing extensive event-driven molecular simulations. The volume fraction dependence of the mean-square displacements, the self-intermediate scattering function, and the non-Gaussian parameter of both systems are fully investigated. The singular function, which has been theoretically proposed for three-dimensional systems by Tokuyama [Physica, vol. 364 (2006) 23-62], is found to describe the long-time self-diffusion coefficient of both hard disks and hard spheres. The characteristic times of the β relaxation process and the α relaxation process of hard disks are also found to be similar to those of hard spheres when the particles had the same long-time self-diffusion coefficient. The spatial dimension d changes the value of the glass transition point and peak height of the non-Gaussian parameter which are related to the geometric packing characteristics of hard disks and hard spheres.
KW - A. Intermetallics, miscellaneous
KW - B. Diffusion
KW - B. Glasses, metallic
KW - E. Simulations, atomistic
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U2 - 10.1016/j.intermet.2010.02.038
DO - 10.1016/j.intermet.2010.02.038
M3 - Article
AN - SCOPUS:77955557190
VL - 18
SP - 1834
EP - 1836
JO - Intermetallics
JF - Intermetallics
SN - 0966-9795
IS - 10
ER -