Date of Award
2024
Document Type
Open Access Master's Thesis
Degree Name
Master of Science in Materials Science and Engineering (MS)
Administrative Home Department
Department of Materials Science and Engineering
Advisor 1
Yu Wang
Committee Member 1
Stephen Kampe
Committee Member 2
Walter W. Milligan
Abstract
The First Principles Density Functional Theory study is conducted on BCC Co-Al based solid solution which obeys Vegard’s law. Chemical bond energies are calculated beyond 1NN interactions as second-nearest-neighbor and third-nearest-neighbor chemical bond energy values are significant and contribute to the total energy of the alloy. Elastic energy developed in the alloys due to the atomic radius misfit between solute and solvent atoms is also considered. Effects of atomic ordering on 1NN, 2NN, and 3NN chemical ordering energies and lattice parameters are investigated.
Recommended Citation
Basireddy, Hemanth Kumar Reddy, "COMPUTATIONAL EVALUATION OF SOME BASIC MATERIAL PARAMETERS IN COBALT-ALUMINUM ALLOYS", Open Access Master's Thesis, Michigan Technological University, 2024.