Keyphrases
First Principles Thermodynamics
100%
Debye Model
100%
Phonons
100%
Ni3Al
100%
Equation of State
80%
Debye
80%
First-principles
40%
Thermodynamic Properties
40%
Bulk Modulus
40%
Helmholtz Free Energy
40%
Heat Capacity
20%
Thermodynamics
20%
Finite Temperature
20%
Phonon Calculations
20%
Elevated Temperature
20%
Electronic Density of States
20%
Coefficient of Thermal Expansion
20%
Static Power
20%
Vibrational Contributions
20%
Solid Phase
20%
Supercell Method
20%
Electronic Contribution
20%
Quasi-harmonic
20%
Debye Temperature
20%
Projector Augmented Wave Method
20%
Birch-Murnaghan Equation of State
20%
Zero-point Vibrational Energy
20%
First-principles Phonons
20%
Chemistry
First Principle
100%
Phonon
100%
Equations of State
100%
Bulk Modulus
33%
Helmholtz Free Energy
33%
Density of State
16%
Finite-Temperature
16%
Enthalpy
16%
Heat Capacity
16%
Thermal Expansion Coefficient
16%
Debye Temperature
16%
Zero-Point Vibrational Energy
16%
Physics
Equations of State
100%
First Principle
100%
Phonon
100%
Density of States
16%
Finite-Temperature
16%
Enthalpy
16%
Thermal Expansion
16%
Material Science
Elastic Moduli
100%
Density
50%
Thermal Expansion
50%
Chemical Engineering
Specific Heat
100%
Enthalpy
50%
Engineering
Logarithmic Equation
16%
Electronic Contribution
16%