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Samanta, Sayan (creator)
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Cluster Variation Method
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First-Principles Calculations of Alloy Free Energies
Description:
High-throughput computational thermodynamic approaches are becoming an increasingly popular tool to uncover novel compounds. However, traditional methods tend to be limited to stability predictions of …
Year:
2022
Contributor:
Samanta, Sayan (creator)
van de Walle, Axel (Advisor)
Qi, Yue (Reader)
Peterson, Andrew (Reader)
Brown University. School of Engineering (sponsor)
Genre:
theses
Subject:
Thermodynamics
Computational modeling
CALPHAD
Cluster Variation Method
Embedded Atom Method
Short Range Order
Electronic Structure Calculation
Collection:
Engineering
Theses and Dissertations
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