Prediction and Study of Binary Alloys Using First-Principles Methods
The utility of first-principles methods in the study and prediction of binary alloys is showcased by three detailed studies. In particular, the T = 0K cluster expansion methodology in conjunction with finite temperature statistical modeling by a Monte Carlo method is used to study two systems of pra...
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| Format: | Others |
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BYU ScholarsArchive
2010
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| Online Access: | https://scholarsarchive.byu.edu/etd/2564 https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3563&context=etd |