Atomistic Monte Carlo simulations of three-dimensional polycrystalline thin films

2003 ◽  
Vol 94 (1) ◽  
pp. 163-168 ◽  
Author(s):  
J. Emiliano Rubio ◽  
Martin Jaraiz ◽  
Ignacio Martin-Bragado ◽  
Jesus M. Hernandez-Mangas ◽  
Juan Barbolla ◽  
...  
2021 ◽  
Author(s):  
Masahide Sato

Abstract Performing isothermal-isochoric Monte Carlo simulations, I examine the types of clusters that dumbbell-like one–patch particles form in thin space between two parallel walls, assuming that each particle is synthesized through the merging of two particles, one non-attracting and the other attracting for which, for example, the inter-particle interaction is approximated by the DLVO model. The shape of these dumbbell-like particles is controlled by the ratio of the diameters q of the two spherical particles and by the dimensionless distance l between them. Using a modified Kern–Frenkel potential, I examine the dependence of the cluster shape on l and q. Large island-like clusters are created when q < 1. With increasing q, the clusters become chain-like. When q increases further, elongated clusters and regular polygonal clusters are created. In hte simulations, the cluster shape becomes three-dimensional with increasing l because the thickness of the thin system increases proportionally to l.


2012 ◽  
Vol 190 ◽  
pp. 39-42
Author(s):  
M. Medvedeva ◽  
Pavel V. Prudnikov

The dynamic critical behavior of the three-dimensional Heisenberg model with longrangecorrelated disorder was studied by using short-time Monte Carlo simulations at criticality.The static and dynamic critical exponents are determined. The simulation was performed fromordered initial state. The obtained values of the exponents are in a good agreement with resultsof the field-theoretic description of the critical behavior of this model in the two-loopapproximation.


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