Related papers: A model solid-state structural transformation: Tet…
A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is found to depend mainly on the volume and on the amount of…
The steady states of three families of one-dimensional non-equilibrium models with open boundaries, first proposed in [22], are studied using a matrix product formalism. It is shown that their associated quadratic algebras have…
We study various models of independent particles hopping between energy `traps' with a density of energy barriers $\rho(E)$, on a $d$ dimensional lattice or on a fully connected lattice. If $\rho(E)$ decays exponentially, a true dynamical…
The thermodynamics of phase transitions of binary solutions into spatially inhomogeneous one-dimensional states is studied theoretically with taking into account nonlinear effects. It is shown that below the spinodal decomposition…
While the realistically modeling of the thermodynamic behavior of fluids usually demands elaborated atomistic models, much have been learned from simplified ones. Here, we investigate a model where point-like particles (with activity $z_0$)…
We study the evolution of rotational response of a hydrodynamic model of a two-component superfluid with a non-dissipative drag interaction, as the system undergoes a transition into a paired phase at finite temperature. The transition…
I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour,…
We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. Using free-energy calculations, we have determined the equilibrium phase diagram of this…
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…
Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the…
The atomic configuration of phases and their interfaces is fundamental to materials design and engineering. Here, we unveil a transition metal oxide interface, whose formation is driven by energetic influences - epitaxial tensile strain…
We consider a two-dimensional problem in nonlinear elasticity which corresponds to the cubic-to-tetragonal phase transformation. Our model is frame invariant and the energy density is given by the squared distance from two potential wells.…
An exactly solvable Kitaev model in a two-dimensional square lattice exhibits a topological quantum phase transition which is different from the symmetry-breaking transition at zero temperature. When the ground state of a nonlinearly…
We study phase transition of a nonequilibrium statistical-mechanical model, in which two degrees of freedom with different time scales separated from each other touch to their own heat bath. A general condition for finding anomalous…
When non-solid matter (e.g., liquids or gas) is under constant volume V and density rho (e.g., in rigid box), spatial positions for their constituents are restricted by these conditions. We recently focus on the role of constraint in…
We consider a classical, two-dimensional system of identical particles which interact via a finite-ranged, repulsive pair potential. We assume that the system is in a crystalline phase. We calculate the normal vibrational modes of a…
We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds.…
The statistical thermodynamics of straight rigid rods of length $k$ on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the…
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…