Skip to Main Content
Skip Nav Destination

First Principles Quasiharmonic Thermoelasticity of Mantle Minerals

Reviews in Mineralogy and Geochemistry (2010) 71 (1): 99–128.
This article has been cited by the following articles in journals that are participating in CrossRef Cited-by Linking.
Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry
Calphad (2023) 83: 102624.
The Post‐Perovskite Transition in Fe‐ and Al‐Bearing Bridgmanite: Effects on Seismic Observables
Journal of Geophysical Research: Solid Earth (2023) 128 (3)
Shear properties of MgO inferred using neural networks
European Journal of Mineralogy (2023) 35 (1): 45.
Mechanical Characterization of Anhydrous Microporous Aluminophosphate Materials: Tridimensional Incompressibility, Ductility, Isotropy and Negative Linear Compressibility
Solids (2022) 3 (3): 457.
Reassessment of a bond correction method for in situ ultrasonic interferometry on elastic wave velocity measurement under high pressure and high temperature
High Pressure Research (2022) 42 (3): 278.
Elasticity of Phase H Under the Mantle Temperatures and Pressures: Implications for Discontinuities and Water Transport in the Mid‐Mantle
Journal of Geophysical Research: Solid Earth (2022) 127 (11)
Ab initio calculations of third-order elastic coefficients
Physical Review B (2022) 106 (21)
The influence of δ-(Al,Fe)OOH on seismic heterogeneities in Earth’s lower mantle
Scientific Reports (2021) 11 (1)
Ab initio anharmonic thermodynamic properties of cubic CaSiO3 perovskite
Physical Review B (2021) 103 (10)
cij: A Python code for quasiharmonic thermoelasticity
Computer Physics Communications (2021) 267: 108067.
Effects of Induced Stress on Seismic Waves: Validation Based on Ab Initio Calculations
Journal of Geophysical Research: Solid Earth (2019) 124 (1): 729.
Evaluating the Role of Iron-Rich (Mg,Fe)O in Ultralow Velocity Zones
Minerals (2019) 9 (12): 762.
qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems
Computer Physics Communications (2019) 237: 199.
Elasticity of Corundum at High Pressures and Temperatures: Implications for Pyrope Decomposition and Al‐Content Effect on Elastic Properties of Bridgmanite
Journal of Geophysical Research: Solid Earth (2018) 123 (2): 1201.
Temperature‐Dependent Bulk Modulus Model for Solid Single Crystals
physica status solidi (b) (2018) 255 (10)
Lattice Thermal Conductivity of MgSiO3 Perovskite from First Principles
Scientific Reports (2017) 7 (1)
Sound velocity and density of magnesiowüstites: Implications for ultralow‐velocity zone topography
Geophysical Research Letters (2017) 44 (5): 2148.
First-principles study of crystal and electronic structure of rare-earth cobaltites
Journal of Applied Physics (2016) 119 (24)
First-principles calculations of elasticity of minerals at high temperature and pressure
Science China Earth Sciences (2016) 59 (6): 1107.
Accurate thermoelastic tensor and acoustic velocities of NaCl
AIP Advances (2015) 5 (12)
Mechanical properties of jennite: A theoretical and experimental study
Cement and Concrete Research (2015) 71: 106.
Thermoelasticity of Fe2+‐bearing bridgmanite
Geophysical Research Letters (2015) 42 (6): 1741.
Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies
Physical Review B (2015) 92 (14)
Dynamic stabilization of cubicCaSiO3perovskite at high temperatures and pressures fromab initiomolecular dynamics
Physical Review B (2014) 89 (9)
Temperature and pressure dependent geometry optimization and elastic constant calculations for arbitrary symmetry crystals: Applications to MgSiO3 perovskites
Journal of Applied Physics (2013) 113 (10)
Approaches to constrain single-crystal elastic properties from Brillouin scattering of polycrystalline samples
High Pressure Research (2013) 33 (3): 607.
Full potential calculations and atom in molecule analysis of the bonding properties of perovskites Borides XRh3B (X=Dy, Ho, Er)
EPJ Web of Conferences (2013) 44: 03002.
Mantle dynamics with pressure- and temperature-dependent thermal expansivity and conductivity
Physics of the Earth and Planetary Interiors (2013) 217: 48.
Thermal elasticity of (Fex,Mg1−x)2SiO4 olivine and wadsleyite
Geophysical Research Letters (2013) 40 (2): 290.
Spin crossover equation of state and sound velocities of (Mg0.65Fe0.35)O ferropericlase to 140 GPa
Journal of Geophysical Research: Solid Earth (2012) 117 (B8)
The Astrophysical Journal (2012) 744 (1): 59.
Temperature dependent elastic constants and ultimate strength of graphene and graphyne
The Journal of Chemical Physics (2012) 137 (19)
Bent-shaped plumes and horizontal channel flow beneath the 660 km discontinuity
Earth and Planetary Science Letters (2011) 312 (3-4): 348.
Quasiharmonic thermal elasticity of crystals: An analytical approach
Physical Review B (2011) 83 (18)
Influence of iron on the elastic properties of wadsleyite and ringwoodite
Journal of Geophysical Research (2011) 116 (B12)
Close Modal

or Create an Account

Close Modal
Close Modal