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

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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 ... continued below

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Kasmi, Azeddine August 2004.

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This thesis is part of the collection entitled: UNT Student Graduate Works and was provided by UNT Libraries to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 158 times . More information about this thesis can be viewed below.

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  • Kasmi, Azeddine

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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.

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UNT Student Graduate Works

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  • August 2004

Added to The UNT Digital Library

  • Feb. 15, 2008, 3:32 p.m.

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  • March 24, 2016, 4:22 p.m.

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Kasmi, Azeddine. Surface Segregation in Multi-component Systems: Modeling Binary Ni-Al Alloys Using the BFS Method, thesis, August 2004; Denton, Texas. (digital.library.unt.edu/ark:/67531/metadc4599/: accessed November 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; .