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 …
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 …
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
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 …
(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 …
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 …
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 …
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
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 …
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 …
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 …
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 …
isothermal bulk modulus in terms of the Anderson–Gruneisen parameter and the thermal …