Graduation Semester and Year
2018
Language
English
Document Type
Dissertation
Degree Name
Doctor of Philosophy in Materials Science and Engineering
Department
Materials Science and Engineering
First Advisor
Unknown
Abstract
Cu-rich side of Al-Cu phase diagram has not been studied extensively as the Al-rich side. It is well established that a one-phase (a phase) exists at 300oC between the 82% Cu and pure Cu, and at the eutectic temperature (1032oC) between 86% Cu and pure Cu, a phase, when quenched from above 600oC and subjected to annealing below about 300oC, or deformation, show ordering effects in resistivity, heat capacity, diffuse X-ray, microstructure, and in mechanical properties. This has been studied to determine whether these effects are due to short-range or long-range ordered domain [1]. The present computational study is to assess the Cu-rich side of Al-Cu phase diagram for Cu concentration larger than 75%, and between 300K and 1000K. Molecular dynamics, Hybrid Molecular Dynamics/Monte Carlo, and DFT simulations are used to investigate the possibility of phase separation in this range of phase diagram. It is shown that a two-phase region exists below about 900K, and that phase separation takes place by nucleation and growth, and not by spinodal decomposition. Also, it is shown that these two phases are random FCC a solid solution, and intermetallic a2.
Keywords
Cu-rich, Molecular dynamics, Density functional theory, Nucleation and growth, Long-range order, Short-range order, Al-Cu phase diagram
Disciplines
Engineering | Materials Science and Engineering
License
This work is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 4.0 International License.
Recommended Citation
Hirmas, Khaled Ahmed, "COMPUTATIONAL STUDY ON THE Cu-RICH SIDE OF ALUMINUM-COPPER PHASE DIAGRAM" (2018). Material Science and Engineering Dissertations. 88.
https://mavmatrix.uta.edu/materialscieng_dissertations/88
Comments
Degree granted by The University of Texas at Arlington