Paper Info
Title
Error controlling of the combined Cluster-Expansion and Wang-Landau Monte-Carlo method and its application to FeCo.
Abstract
Simulating order–disorder phase transitions in magnetic materials requires the accurate treatment of both the atomic and magnetic interactions, which span a vast configuration space. Taking FeCo as a prototype system, we demonstrate that this can be accurately and efficiently addressed by the combined Cluster-Expansion method and Wang–Landau algorithm. All involved key parameters in this method are carefully tested. Based on these tests, error controlling approaches are also developed. Our method is readily applicable to the study of similar second-order phase transitions in other binary and multi-component systems.
Year
DOI
Venue
2019
10.1016/j.cpc.2018.09.017
Computer Physics Communications
Keywords
Field
DocType
Chemical ordering,Wang–Landau Monte Carlo,Cluster expansion
Statistical physics,Monte Carlo method,Phase transition,Mathematical analysis,Cluster expansion,Mathematics,Binary number,Configuration space
Journal
Volume
ISSN
Citations 
235
0010-4655
0
PageRank 
References 
Authors
0.34
0
4
Name
Order
Citations
PageRank
Zongrui Pei101.01
Markus Eisenbach294.17
Sai Mu300.68
G. Malcolm Stocks400.68