Author Type

Graduate Student

Date of Award

2005

Document Type

Thesis

Publication Status

Version of Record

Submission Date

October 2026

Abstract

The effects of atomic displacements on the energetics of alloys plays important role in the determining the properties of alloys. We studied the atomic displacements in disordered solid alloys using molecular dynamics and Monte-Carlo methods. The diffuse scattering of pure materials, copper, gold, nickel, and palladium was calculated. The experimental data for pure Cu was obtained from diffuse scattering intensity of synchrotron x-ray radiation. The comparison showed the advantages of molecular dynamics method for calculating the atomic displacements in solid alloys. The individual nearest neighbor separations were calculated for Cu 50Au50 alloy and compared to the result of XAFS experiment. The molecular dynamics method provided theoretical predictions of nearest neighbor pair separations in other binary alloys, Cu-Pd and Cu-Al for wide range of the concentrations. We also experimentally recovered the diffuse scattering maps for the Cu47.3Au52.7 and Cu85.2Al14.8 alloy.

Extent

139 p.

Comments

FAU Electronic Theses and Dissertations Collection|Adviser: J. S. Faulkner.|Thesis (Ph.D.)--Florida Atlantic University, 2005.|FAU Electronic Theses and Dissertations Collection

Identifier

FADT12137

Format

pdf

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