Related papers: Predicting phase transition pressure in solids:a s…
Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…
Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…
We have introduced a Coulomb correlated normal state to study the superconducting pairing with a Fermi liquid like normal phase background in a 3 dimensional system. The role of the Coulomb correlation has been actively incorporated by…
Understanding the properties of molecular solids at high pressure is a key element in the development of new solid-state theories. However, the most commonly used generalized-gradient approximation (GGA) of the density functional theory…
Building on recent simulation work, it is demonstrated using molecular-dynamics (MD) simulations of two-component fluid mixtures that the chemical contribution to the Soret effect in two-component non-ideal fluid mixtures arises due to…
The phase transition calculations are utilized for an in-depth understanding of the thermodynamics of the deconfinement transition to perform the best analysis of the QCD phase diagram. The phenomenological justifications for a mathematical…
We develop a method for calculating the equilibrium properties of the liquid-solid phase transition in a classical, ideal, multi-component plasma. Our method is a semi-analytic calculation that relies on extending the accurate fitting…
Any interface boundary in an equilibrium system of Coulomb particles is accompanied by the existence of a finite difference in the average electrostatic potential through this boundary. This interface potential drop is a thermodynamic…
Electrical resistivity measurements on La$_{1-x}$Sm$_{x}$O$_{0.5}$F$_{0.5}$BiS$_{2}$ ($x$ = 0.1, 0.3, 0.6, 0.8) have been performed under applied pressures up to 2.6 GPa from 2 K to room temperature. The superconducting transition…
Matter described by Quantum Chromodynamics (QCD), the theory of strong interactions, may undergo phase transitions when its temperature and the chemical potentials are varied. QCD at finite temperature is studied in the laboratory by…
We map the mean-field Ising model equation of state onto the QCD phase diagram, and reconstruct the full coexistence region in the case of a first order phase transition. Beyond the coexistence line, we maintain access to the spinodal…
In these lectures I discuss cosmological phase transitions with the goal of establishing the possibility of observational consequences. I argue that the {\em only} phase transition amenable of experimental study within the foreseeable…
We study the thermodynamics of asymmetric nuclear matter using a mean field approximation with a Skyrme effective interaction, in order to establish its phase diagram and more particularly the influence of isospin on the order of the…
Supersolids are theoretically predicted quantum states that break the continuous rotational and translational symmetries of liquids while preserving superfluid transport properties. Over the last decade, much progress has been made in…
We study fluctuations of pressure in equilibrium for classical particle systems. In equilibrium statistical mechanics, pressure for a microscopic state is defined by the derivative of a thermodynamic function or, more mechanically, through…
Elastic interaction of pressurized spherical cavities embedded in a three-dimensional hyperelastic medium is computationally analyzed. Using finite element analysis across several positive and negative pressure scenarios, we calculate the…
In this work we present the results of a numerical and semiclassical analysis of high lying states in a Hamiltonian system, whose classical mechanics is of a generic, mixed type, where the energy surface is split into regions of regular and…
It is well known that pressure causes profound changes in the properties of atoms and chemical bonding, leading to the formation of many unusual materials. Here we systematically explore all stable calcium carbides at pressures from ambient…
The thermodynamic parameters of the superconducting state in calcium under the pressure at 161 GPa have been calculated within the framework of the Eliashberg approach. It has been shown that the value of the Coulomb pseudopotential is high…
A new method for analyzing second-order phase transitions is presented and applied to the polaronic system La$_{0.7}$Ca$_{0.3}$MnO$_{3}$. It utilizes heat capacity and thermal expansion data simultaneously to correctly predict the critical…