Test of classical nucleation theory via molecular-dynamics simulation
Xian-Ming Bai, Mo Li
Abstract
Xian-Ming Bai, Mo Li
Abstract
A direct test of classical nucleation theory (CNT) is made using molecular-dynamics simulations. The relation between critical nucleus size and undercooling temperature is extracted and the result yields the solid-liquid interfacial energy. It is shown that the CNT, within the assumptions made for spherical nucleus in supercooled liquid, is valid in the critical regime of nucleation for a large range of undercooling and nucleus size.
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A direct test of classical nucleation theory (CNT) is made using molecular-dynamics simulations. The relation between critical nucleus size and undercooling temperature is extracted and the result yields the solid-liquid interfacial energy. It is shown that the CNT, within the assumptions made for spherical nucleus in supercooled liquid, is valid in the critical regime of nucleation for a large range of undercooling and nucleus size.
Key concepts: Supercooling, Nucleation, Classical nucleation theory, Molecular dynamics, Nucleus, Materials science, Statistical physics, Range (aeronautics)