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Kinetics of Liquid‐Solid Phase Transition and Absolute Kinetic Coefficient for One‐Component Systems Derived from Molecular Theory
Author(s) -
Klupsch Th.
Publication year - 1983
Publication title -
annalen der physik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.009
H-Index - 68
eISSN - 1521-3889
pISSN - 0003-3804
DOI - 10.1002/andp.19834950410
Subject(s) - supercooling , thermodynamics , component (thermodynamics) , triple point , kinetic energy , phase transition , thermal equilibrium , lattice (music) , materials science , kinetics , phase (matter) , physics , classical mechanics , quantum mechanics , acoustics
A master equation is derived to describe the kinetics of the phase transition from the liquid to the perfect f.c.c. crystalline state, and a straightforward calculation of the kinetic coefficient in terms of microscopie parameters is given for one‐component Lennard‐Jones systems just above the triple point. The considerations are based on an effective lattice model description of the interface structure and the calculation of elementary transition probabilities starting from the molecular theory of thermal equilibrium which is given in earlier papers, extending these results to non‐equilibrium by the local equilibrium principle. The calculated crystal growth velocity versus supercooling is about 10 −3 m/sK which agrees with experimental data for some organic substances, but it is to small by a factor 10 1 to 10 2 for metals, probably for reasons of a rapid growth velocity enhancement due to an increasing defect density under a strong supercooling regime of 10–100 K, as reported.