Keyphrases
First-principles
100%
Mantle Minerals
100%
Property Relations
100%
Phase Relations
100%
Phase Boundary
100%
Thermodynamic Properties
100%
Quasi-harmonic
100%
Thermodynamic Phase
100%
Olivine
50%
High Temperature
50%
Thermal Expansivity
50%
Bulk Modulus
50%
Anharmonic Effect
50%
Clapeyron Slope
50%
High Pressure
33%
Exchange-correlation Functionals
33%
Low Pressure
33%
Anharmonicity
33%
Ca-perovskite
33%
Zero-point Motion
33%
Density Discontinuity
33%
Bulk Sound Velocity
33%
Phase Transition
16%
Phase Transformation
16%
Earth's Interior
16%
Pyroxene
16%
Garnet
16%
High Pressure High Temperature
16%
Perovskite
16%
Mantle Discontinuities
16%
Pressure-temperature
16%
Experimental Determination
16%
Magnesium
16%
Structural Properties
16%
Experimental Values
16%
Core-mantle Boundary
16%
Temperature Range
16%
Endmember
16%
Specific Heat
16%
Free Energy
16%
Ambient Conditions
16%
Motion Energy
16%
Pseudopotential
16%
Vol%
16%
Range of Applicability
16%
Plane Wave
16%
Harmonic Crystal
16%
Bond Breaking
16%
Ansatz
16%
Forsterite
16%
Post-perovskite
16%
Wadsleyite
16%
Temperature Limitation
16%
First-principles Phonons
16%
Constant Volume
16%
Mantle Transition Zone
16%
Constant Pressure
16%
Phonon Density of States
16%
Seismic Data
16%
Phonon Frequencies
16%
K-points
16%
Point Sampling
16%
Phonon Softening
16%
CaSiO3 Perovskite
16%
Majoritic Garnet
16%
Q-point
16%
PV-T
16%
Pyrolite
16%
Convergence Criteria
16%
Pressure Calibration
16%
Motion Effect
16%
K-property
16%
Wave Cut
16%
Diamond Anvil Cell Technique
16%
GGA-PBE
16%
Limit of Validity
16%
Earth and Planetary Sciences
Perovskites
100%
Phonon
75%
Bulk Modulus
75%
Garnet
50%
Acoustic Velocity
50%
Mantle Discontinuity
25%
Pyroxene
25%
Core-Mantle Boundary
25%
Wadsleyite
25%
Seismic Data
25%
Softening
25%
Pyrolite
25%
Majorite
25%
Forsterite
25%
Free Energy
25%
Specific Heat
25%
Plane Wave
25%
Engineering
Phase Boundary
100%
Bulk Modulus
50%
Sound Velocity
33%
Good Agreement
16%
Experimental Value
16%
Experimental Measurement
16%
Applicability
16%
Ambient Condition
16%
Temperature Range
16%
Sampling Point
16%
Experimental Determination
16%
Good Approximation
16%
Constant Volume
16%
Temperature Limit
16%
High Pressure and High Temperature
16%
Density Estimate
16%
Improve Phase
16%
Frequency Increase
16%
Plane Wave
16%
Functionals
16%
Structural Property
16%
Limit of Validity
16%
Constant Pressure Specific Heat
16%
Endmembers
16%
Convergence Criterion
16%
Calibration Pressure
16%
Diamond Anvil Cell
16%
Chemistry
First Principle
100%
Phase Interface
100%
Local-Density Approximation
83%
Bulk Modulus
50%
Anharmonicity
33%
Magnesium Oxide
33%
Phonons
33%
Velocity of Sound
33%
Magnesium
16%
Phonon Density of State
16%
Pyrolytic Carbon
16%
Pseudopotential
16%
Free Energy
16%
Plane Wave
16%
Physics
First Principle
100%
Perovskites
100%
Acoustic Velocity
50%
Phonon
50%
Phonon Density of State
25%
Pseudopotential
25%
Mantle Discontinuity
25%
Pyroxene
25%
Core-Mantle Boundary
25%
Specific Heat
25%
Free Energy
25%
Plane Wave
25%