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Pair-interactions in alloys

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Date Issued:
1996
Summary:
The embedded cluster Monte Carlo (ECMC) method which combines the Korringa-Kohn-Rostoker coherent potential approximation embedded cluster method (KKR-CPA-ECM) and the Monte Carlo method has been developed in order to study phase diagrams of binary alloys. The KKR-CPA-ECM provides interchange energies to the Monte Carlo code. In this thesis, a pair-interaction (PI) method is used to provide interchange energies to the Monte Carlo code. The code of the PI method is obtained based on the KKR-CPA-ECM code. The interchange energies of Cu0.5 Zn0.5 alloys are calculated with the PI method. The critical temperature and the phase boundary of Cu-Zn alloys are obtained by carrying out both Monte Carlo calculations with above interchange energies and the ECMC calculations. A comparison between the results of both methods is made.
Title: Pair-interactions in alloys.
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Name(s): Cang, Songluan.
Florida Atlantic University, Degree grantor
Faulkner, J. Samuel, Thesis advisor
Type of Resource: text
Genre: Electronic Thesis Or Dissertation
Issuance: monographic
Date Issued: 1996
Publisher: Florida Atlantic University
Place of Publication: Boca Raton, Fla.
Physical Form: application/pdf
Extent: 134 p.
Language(s): English
Summary: The embedded cluster Monte Carlo (ECMC) method which combines the Korringa-Kohn-Rostoker coherent potential approximation embedded cluster method (KKR-CPA-ECM) and the Monte Carlo method has been developed in order to study phase diagrams of binary alloys. The KKR-CPA-ECM provides interchange energies to the Monte Carlo code. In this thesis, a pair-interaction (PI) method is used to provide interchange energies to the Monte Carlo code. The code of the PI method is obtained based on the KKR-CPA-ECM code. The interchange energies of Cu0.5 Zn0.5 alloys are calculated with the PI method. The critical temperature and the phase boundary of Cu-Zn alloys are obtained by carrying out both Monte Carlo calculations with above interchange energies and the ECMC calculations. A comparison between the results of both methods is made.
Identifier: 15266 (digitool), FADT15266 (IID), fau:12037 (fedora)
Collection: FAU Electronic Theses and Dissertations Collection
Note(s): Thesis (M.S.)--Florida Atlantic University, 1996.
Charles E. Schmidt College of Science
Subject(s): Alloys
Monte Carlo method
Order-disorder in alloys
Binary systems (Metallurgy)
Held by: Florida Atlantic University Libraries
Persistent Link to This Record: http://purl.flvc.org/fcla/dt/15266
Sublocation: Digital Library
Use and Reproduction: Copyright © is held by the author with permission granted to Florida Atlantic University to digitize, archive and distribute this item for non-profit research and educational purposes. Any reuse of this item in excess of fair use or other copyright exemptions requires permission of the copyright holder.
Use and Reproduction: http://rightsstatements.org/vocab/InC/1.0/
Host Institution: FAU
Is Part of Series: Florida Atlantic University Digital Library Collections.