Melting Is Well-Known, but Is It Also Well-Understood?

G de With - Chemical Reviews, 2023 - ACS Publications
Contrary to continuous phase transitions, where renormalization group theory provides a
general framework, for discontinuous phase transitions such a framework seems to be …

Time interval effect in triaxial discontinuous cyclic compression tests and simulations for the residual stress in rock salt

J Fan, W Liu, D Jiang, J Chen, WN Tiedeu… - Rock Mechanics and …, 2020 - Springer
When rock salt is subjected to discontinuous fatigue, time intervals (periods during which the
stress remains constant) can accelerate plastic deformation and reduce the fatigue life due …

On how differently the quasi-harmonic approximation works for two isostructural crystals: Thermal properties of periclase and lime

A Erba, M Shahrokhi, R Moradian… - The Journal of chemical …, 2015 - pubs.aip.org
Harmonic and quasi-harmonic thermal properties of two isostructural simple oxides
(periclase, MgO, and lime, CaO) are computed with ab initio periodic simulations based on …

Anharmonic phonon quasiparticle theory of zero-point and thermal shifts in insulators: Heat capacity, bulk modulus, and thermal expansion

PB Allen - Physical Review B, 2015 - APS
The quasiharmonic (QH) approximation uses harmonic vibrational frequencies ω Q, H (V)
computed at volumes V near V 0 where the Born-Oppenheimer (BO) energy E el (V) is …

Temperature dependence of volume thermal expansion for NaCl and KCl crystals

ZH Fang - Physica B: Condensed Matter, 2005 - Elsevier
A new relation for predicting volume thermal expansion of alkali halides at high
temperatures is derived based on the assumption that the two different diffusional driving …

The relationship between the thermal expansions and structures of ABO4 oxides

H Li, S Zhou, S Zhang - Journal of Solid State Chemistry, 2007 - Elsevier
The linear thermal expansion coefficients of ABO4 compounds are determined and the
expansion tendency is analyzed from the chemical bond viewpoint. All chemical bonds …

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

C Kwon, Y Xia, F Zhou, B Han - Physical Review B, 2020 - APS
Understanding heat transfer in the earth mantle region is of great scientific interest but highly
challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly …

Volume–temperature relationship for iron at 330 GPa and the Earth's core density deficit

J Shanker, BP Singh, SK Srivastava - Physics of the Earth and Planetary …, 2004 - Elsevier
Estimates of core density deficit (cdd) of the Earth's outer core recently reported by Anderson
and Isaak [Another look at the core density deficit of Earth's outer core, Phys. Earth Planet …

Towards the high-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

I Pallikara, JM Skelton - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Lattice dynamics calculations within the quasi-harmonic approximation (QHA) provide an
infrastructure for modelling the finite-temperature properties of periodic solids at a modest …

Analysis of thermodynamic and thermoelastic properties of ionic solids at high temperatures

KS Singh, RS Chauhan - Physica B: Condensed Matter, 2002 - Elsevier
We present an analysis of the temperature dependence of thermal expansivity and
isothermal bulk modulus in terms of the Anderson–Gruneisen parameter and the thermal …