Finite Size Effects on Static and Dynamic Properties of Non-periodic Boundary Condition Supercooled Liquids(Condensed matter : structure and mechanical and thermal properties)
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概要
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Finite size effects on static and dynamic properties of Al_2O_3・2SiO_2 spherical models with different diameters of 2, 3, 4, and 5nm have been studied via molecular dynamics (MD) simulation under non-periodic boundary conditions (NPBC). Models have been obtained by cooling from the melts at constant density of 2.60g/cm^3. We found strong finite size effects on both static and dynamic properties of the system. Static properties have been studied via partial radial distribution function (PRDF), mean atomic distances and coordination number distributions. Dynamic properties of the system with different sizes have been found and discussed via the mean-squared displacement (MSD) of atoms and temperature dependence of diffusion constant. Moreover, size dependence of glass transition temperature has been found and discussed.
- 2007-11-15
著者
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Hoang Vo
Department Of Physics Institute Of Technology National University Of Hochiminh City
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LINH Nguyen
Department of Physics, Institute of Technology, National University of HochiMinh City
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Linh Nguyen
Department Of Physics Institute Of Technology National University Of Hochiminh City
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Linh Nguyen
Department Of Biomedical Eng. & Mater. School Of Medicine Soonchunhyang University
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