Related papers: First-principles Equations of State and Structures…
We present a 5-phase equation of state (EOS) for elemental carbon. The phases considered are: diamond, BC8, simple-cubic, simple-hexagonal, and the liquid/plasma state. The solid phase free energies are constrained by density functional…
First principles electronic structure calculations based on density functional theory have been used to study the thermodynamic, structural and transport properties of solid solutions and liquid alloys of iron and oxygen at Earth's core…
Numerical simulations of compressible fluid flows require an equation of state (EOS) to relate the thermodynamic variables of density, internal energy, temperature, and pressure. A valid EOS must satisfy the thermodynamic conditions of…
Ru and Rh are interesting cases for comparing equations of state (EOS), because most general purpose EOS are semi-empirical, relying heavily on shock data, and none has been reported for Ru. EOS were calculated for both elements using…
We study characteristics of the relativistic equation of state (EOS) for collapse-driven supernovae, which is derived by relativistic nuclear many body theory. Recently the relativistic EOS table has become available as a new complete set…
The microscopic composition and properties of matter at super-saturation densities have been the subject of intense investigation for decades. The scarcity of experimental and observational data has lead to the necessary reliance on…
We investigate the properties of nuclear matter at the first-order phase transitions such as liquid-gas phase transition and hadron-quark phase transition. As a general feature of the first-order phase transitions of matter consisting of…
Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two…
The $f$-electron materials have many unique properties under pressure, thus of great interest in high-pressure physics and related industrial fields. However, the $f$-electrons pose a substantial challenge to simulations since the electron…
We generate a second equation of state (EOS) of nuclear matter for a wide range of temperatures, densities, and proton fractions for use in supernovae, neutron star mergers, and black hole formation simulations. We employ full relativistic…
The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the $P6_3/mmc$ symmetry ($\eta^{'}$ phase) is determined to be…
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…
The Hugoniot of Ni3Al with L12 structure is calculated with an equation of state (EOS) based on a cluster expansion and variation method from first principles. It is found that an order-disorder transition occurs at a shock pressure of…
We report a new equation of state (EoS) of cold and hot hyperonic matter constructed in the framework of the quark-meson-coupling (QMC-A) model. The QMC-A EoS yields results compatible with available nuclear physics constraints and…
We calculate static properties of non-rotating neutron stars (NS's) using a microscopic equation of state (EOS) for asymmetric nuclear matter. The EOS is computed in the framework of the Brueckner--Bethe--Goldstone many--body theory. We…
The properties of hot dense helium at megabar pressures were studied with two first-principles computer simulation techniques, path integral Monte Carlo and density functional molecular dynamics. The simulations predicted that the…
This paper deals with the analytic derivation of a complete equation of state (EOS) for solids from shock-wave data in the range of pressures and temperatures, attained by detonation of chemical explosives. The caloric, the thermal and the…
We develop a new equation of state (EoS) table involving thermal (anti)kaons, Bose-Einstein condensate of $K^{-}$ mesons and $\Lambda$-hyperons for core-collapse supernova and neutron star merger simulations. This EoS table is based on a…
The hard sphere system plays a basic role in condensed matter physics and related fields, and equation of state (EoS) is the ultimate solution to its thermodynamic properties (1-3). Dozens of EoSs have been proposed since van der Waals…
We report accurate measurements of the equation of state (EOS) of cubic boron nitride by x-ray diffraction up to 160 GPa at 295 K and 80 GPa in the range 500-900 K. Experiments were performed on single-crystals embedded in a…