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Towards a molecular theory of the solid—liquid phase boundary. Elementary kinetic processes
Author(s) -
Klupsch Th.
Publication year - 1983
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221190132
Subject(s) - formalism (music) , kinetic energy , molecular dynamics , phase transition , phase space , statistical physics , kinetic theory , lattice (music) , physics , phase boundary , square lattice , boundary value problem , equations of motion , classical mechanics , thermodynamics , phase (matter) , quantum mechanics , acoustics , ising model , art , musical , visual arts
Starting from the molecular, structural theory of the f.c.c. crystal—liquid phase boundary for onecomponent Lennard‐Jones systems near the triple point given by the author, the elementary kinetic processes of particles undergoing solid—liquid transitions are studied, and the absolute transition time is determined which is about 10 −10 s. Starting with calculations of the mean square of the fluctuating force for extremely inhomogeneous systems such as the interface, and calculations of a space‐dependent friction coefficient via generalizations of the Mori formalism, the investigations are based on a description of the stochastic single‐particle motion by means of the Smoluchowski equation. It is shown that the stochastic single‐particle motion is closely related to the cell dynamics of stochastic lattice models; the corresponding absolute transition probabilities are calculated.