相关论文: The Phase Diagram of Carbon Dioxide from Correlati…

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…

We present a theoretical study of solid carbon dioxide up to 50GPa and 1500K using first-principles calculations. In this pressure-temperature range, interpretations of recent experiments have suggested the existence of CO2 phases which are…

The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…

We determine the liquid-solid phase diagram for carbon-oxygen and oxygen-selenium plasma mixtures using two-phase MD simulations. We identified liquid, solid, and interface regions using a bond angle metric. To study finite size effects, we…

Experiments on quantum degenerate Fermi gases of magnetic atoms and dipolar molecules begin to probe their broken symmetry phases dominated by the long-range, anisotropic dipole-dipole interaction. Several candidate phases including the…

The global phase diagram of the spinless Falicov-Kimball model in d = 3 spatial dimensions is obtained by renormalization-group theory. This global phase diagram exhibits five distinct phases. Four of these phases are charge-ordered (CO)…

Carbon solubility in face-centered cubic Ni-W alloys and the phase diagram of C-Ni-W are investigated by means of first principle calculations and semi-grand canonical Monte Carlo simulations. With density functional theory (DFT) total…

Quantum chromodynamics (QCD) phase diagram is usually plotted as temperature (T) versus the chemical potential associated with the conserved baryon number (\mu_{B}). Two fundamental properties of QCD, related to confinement and chiral…

The experimental study of the CO$_2$ phase diagram is hampered by strong kinetic effects leading to wide regions of metastability and to large uncertainties in the location of phase boundaries. Here we determine the CO$_2$ phase boundaries…

We study the phase diagram of calcium fluoride (CaF2) under pressure using classical molecular dynamic simulations performed with a simple pairwise interatomic potential of the Born-Mayer-Huggings form. Our results obtained under conditions…

We discuss the phase structure of QCD for $N_f=2$ and $N_f=2+1$ dynamical quark flavours at finite temperature and baryon chemical potential. It emerges dynamically from the underlying fundamental interactions between quarks and gluons in…

Structures of calcium peroxide (CaO2) are investigated in the pressure range 0-200 GPa using the ab initio random structure searching (AIRSS) method and density functional theory (DFT) calculations. At 0 GPa, there are several CaO2…

Studying the dynamics of quantum many-body systems is often constrained by the limitations in probing relevant observables, especially in continuous systems. A powerful method to gain information about such systems is the reconstruction of…

The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…

There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…

We study the nonequilibrium dynamics of a many-body bosonic system on a lattice, subject to driving and dissipation. The time-evolution is described by a master equation, which we treat within a generalized Gutzwiller mean field…

The ground-state phase diagram of a two-dimensional Bose system with dipole-dipole interactions is studied by means of quantum Monte Carlo technique. Our calculation predicts a quantum phase transition from gas to solid phase when the…

In a recent experiment [Vochezer {\it et al.,} Phys. Rev. Lett. \textbf{120}, 073602 (2018)], a novel kind of hybrid atom-opto-mechanical system has been realized by coupling atoms in a lattice to a membrane. While such system promises a…

There is growing evidence that the unconventional spatial inhomogeneities in the doped high-Tc superconductors are accompanied by the pairing of electrons, subsequent quantum phase transitions (QPTs), and condensation in coherent states. We…

In the framework of the $N_f = 2+1$ flavor (axial)vector meson extended Polyakov quark meson model we investigate the QCD phase diagram at finite temperature and density. We use a $\chi^2$ minimization procedure to parameterize the model…