Surface Segregation in Multi-component Systems: Modeling Binary Ni-Al Alloys Using the BFS Method

Description:

Although the study of surface segregation has a great technological importance, the work done in the field was for a long time largely restricted to experimental studies and the theoretical work was neglected. However, recent improvements in both first principles and semi-empirical methods are opening a new era for surface scientists. A method developed by Bozzolo, Ferrante, and Smith (BFS) is particularly suitable for complex systems and several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces and the formation of surface alloys. In the following work I introduce the BFS method and apply it to model the Ni-Al alloy through a Monte-Carlo simulation. A comparison between my results and those results published by the group mentioned above was my goal. This thesis also includes a detailed explanation of the application of the BFS method to surfaces of multi-component metallic systems, beyond binary alloys.

Creator(s): Kasmi, Azeddine
Creation Date: August 2004
Partner(s):
UNT Libraries
Collection(s):
UNT Theses and Dissertations
Usage:
Total Uses: 82
Past 30 days: 5
Yesterday: 1
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Publisher Info:
Publisher Name: University of North Texas
Place of Publication: Denton, Texas
Date(s):
  • Creation: August 2004
  • Digitized: December 5, 2007
Description:

Although the study of surface segregation has a great technological importance, the work done in the field was for a long time largely restricted to experimental studies and the theoretical work was neglected. However, recent improvements in both first principles and semi-empirical methods are opening a new era for surface scientists. A method developed by Bozzolo, Ferrante, and Smith (BFS) is particularly suitable for complex systems and several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces and the formation of surface alloys. In the following work I introduce the BFS method and apply it to model the Ni-Al alloy through a Monte-Carlo simulation. A comparison between my results and those results published by the group mentioned above was my goal. This thesis also includes a detailed explanation of the application of the BFS method to surfaces of multi-component metallic systems, beyond binary alloys.

Degree:
Level: Master's
Discipline: Physics
Note:

Problem in Lieu of Thesis

Language(s):
Subject(s):
Keyword(s): surface segregation | alloys | BFS method | Monte Carlo simulations | equivalent crystal theory
Contributor(s):
Partner:
UNT Libraries
Collection:
UNT Theses and Dissertations
Identifier:
  • ARK: ark:/67531/metadc4599
Resource Type: Thesis or Dissertation
Format: Text
Rights:
Access: Public
License: Copyright
Holder: Kasmi, Azeddine
Statement: Copyright is held by the author, unless otherwise noted. All rights reserved.