Related papers: Phase diagram of silica from computer simulation
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential),…
We consider the system of particles on a finite interval with pair-wise nearest neighbours interaction and external force. This model was introduced by Malyshev to study the flow of charged particles on a rigorous mathematical level. It is…
In this paper we continue our studies of the phase space geometry and dynamics associated with index k saddles (k > 1) of the potential energy surface. Using normal form theory, we give an explicit formula for a "dividing surface" in phase…
We study mixed quantum spin chains consisting of two kinds of spins with magnitudes, s_a and s_b. The spins are arrayed as s_a-s_a-s_b-s_b in a unit cell and the exchange couplings are accordingly periodic with period 4. The spin…
We analyze the free energy and construct the Gibbs-KMS states for a class of quantum lattice systems, at low temperatures and when the interactions are almost diagonal in a suitable basis. We study systems with continuous symmetry, but our…
We determine the phase diagram of mixtures of spherical colloids and neutral nonadsorbing polymers in the thermal crossover region between the $\theta$ point and the good-solvent regime. We use the generalized free-volume theory (GFVT),…
We report a numerical simulation for the phase diagram of a simple two dimensional model, similar to one proposed by Noro and Frenkel [J. Chem. Phys. \textbf{114}, 2477 (2001)] for membrane proteins, but one that includes the role of the…
Using a minimal algebraic model for the thermodynamics of binary rod--polymer mixtures, we provide evidence for a quintuple phase equilibrium; an observation that seems to be at odds with the Gibbs phase rule for two-component systems. Our…
The phase diagram of the system LiF-LuF3 has been revised using thermal analysis. Specific heat capacity and enthalpy of phase transition and fusion were measured by differential scanning calorimetry for all compounds belonging to the…
We compute the phase separation of the immiscible liquid alloy Fe-Cu-Ni. Our computational approach uses a virtual semigrand canonical Widom approach to determine differences in excess chemical potentials between different species. Using an…
Quantum Ising model on a triangular lattice hosts a finite temperature Berezinskii-Kosterlitz-Thouless (BKT) phase with emergent U(1) symmetry, and it will transit into an up-up-down (UUD) phase with $C_3$ symmetry breaking upon an…
We study the QCD phase diagram on the plane of temperature T and quark chemical potential mu, modelling the strong interactions with the linear sigma model coupled to quarks. The phase transition line is found from the effective potential…
We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…
Using the classical density functional theory of freezing and Monte Carlo computer simulations, we explore the liquid-crystalline phase behavior of hard rectangles on flat and cylindrical manifolds. Moreover, we study the effect of a static…
We consider a Bardeen-Cooper-Schrieffer (BCS)-like model in the inflationary background. We show that with an axial chemical potential, the attractive quartic fermion self-interaction can lead to a BCS-like condensation. In the rigid-de…
Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar)…
The electroweak phase transition in the Two-Higgs-Doublet Model is investigated. The Gibbs potential at finite temperature is computed with regard for the one-loop plus ring diagram contributions. The strong first-order phase transition…
The present study applies the power spectral analysis technique to understand the diffusional anomaly in liquid silica, modeled using the BKS potential. Molecular dynamics simulations have been carried out to show that power spectrum of…
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…