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Kinetic block model of crystal–mother‐phase interface with preferential clustering ‐ single layer case
Author(s) -
Izdebski Marek,
Włodarska Magdalena
Publication year - 2016
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201500069
Subject(s) - kinetic energy , statistical physics , monte carlo method , crystal (programming language) , type (biology) , phase (matter) , kinetic monte carlo , thermodynamics , cluster analysis , crystal growth , block (permutation group theory) , chemistry , materials science , physics , mathematics , computer science , combinatorics , quantum mechanics , statistics , ecology , biology , programming language
A new single‐layer kinetic block model of crystal growth is proposed, which takes into account preference for bonds between blocks of the same type over mixed‐type bonds. The obtained parameters describing stable growth conditions were compared with other theoretical models (such as thermodynamic Jackson model and the earlier proposed kinetic model based on zeroth order approximation) which assume that new growth units are attached in a completely random way. Additionally, the results were compared with Monte Carlo simulations. The proposed model produced results which matched the simulation results much better than the other theoretical models. The new model can be used for studying crystal growth both from solution and from vapour. Calculations based on this model show that the number of created mixed‐type bonds depends on the temperature and is lower from its estimation obtained with the use of the zeroth order (Bragg‐Williams) approximation.