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Surface Roughening and Second Neighbour Interaction. A Monte Carlo Simulation
Author(s) -
Tkayanov A.
Publication year - 1986
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.2170210202
Subject(s) - monte carlo method , latent heat , surface (topology) , cubic crystal system , crystal (programming language) , specific heat , interatomic potential , statistical physics , molecular dynamics , nearest neighbour , surface structure , thermodynamics , materials science , condensed matter physics , chemistry , physics , molecular physics , computational chemistry , mathematics , geometry , statistics , computer science , programming language , artificial intelligence
The structure of (100) surface of simple cubic crystal is studied by means of Monte Carlo method, the first and the second neighbour interactions being considered. For different energies of second neighbour interaction the roughening temperature T R is obtained. The ratio kT R / L ( L is the latent heat) remains constant and equal to 0.19. In order to calculate the roughening temperature T R of a (100) crystal face with attractive interatomic forces it is not necessary to know separately the bond energies of first, second, etc. neighbour interactions. For this purpose it is sufficient to know only the latent heat.