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First-principles calculations and CALPHAD modeling of thermodynamics
Zi Kui Liu
Materials Science and Engineering
Institute for Computational and Data Sciences (ICDS)
Materials Research Institute (MRI)
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Dive into the research topics of 'First-principles calculations and CALPHAD modeling of thermodynamics'. Together they form a unique fingerprint.
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Keyphrases
Thermodynamics
100%
First-principles Calculations
100%
CALPHAD Modeling
100%
Engineering Materials
33%
Materials Science
16%
First-principles
16%
Enthalpy of Formation
16%
Mixing Enthalpy
16%
CALPHAD Approach
16%
Finite Temperature
16%
Thermodynamic Properties
16%
Binary System
16%
Ternary System
16%
Density Functional Theory
16%
Phase Diagram
16%
Defected Ground Structure
16%
Experimental Uncertainty
16%
Quantum Mechanics
16%
Computational Thermodynamics
16%
Material Engineering
16%
Substitutional Solutions
16%
Thermodynamics-based
16%
Supercooled Liquid
16%
Phase Stability
16%
Stability Calculation
16%
Liquid Structure
16%
Modeling Principles
16%
Material Science
Engineering Material
100%
Density
50%