First Principles Thermoelasticity of Mantle Minerals第一性原理弹性地幔矿物.pptVIP

Quasiharmonic Thermodynamic Properties of Minerals The Contribution from Seismology Methods Thermodynamic Method Zero Point Motion Effect Elasticity of MgO MgSiO3-ilmenite (Akimotoite) MgSiO3-perovskite (Pbnm) Phonon dispersion of MgSiO3-ilmenite and perovskite “…Useful rule…” Issue I …a posteriori criterion for the validity of the QHA  Properties of MgSiO3-perovskite and -ilmenite Ad hoc correction to DFT results… Ad hoc correction to DFT results… Ad hoc correction to DFT results… Ad hoc correction to DFT results… EoS for Perovskite EoS for Ilmenite Ad hoc correction to P