相关论文: First-principles based Landau-Devonshire potential…
BaTiO3 (BTO) is one of the most interesting classes of perovskite materials. The present study has been complied to explore some physical properties such as mechanical, vibrational, thermo-physical, and temperature dependent thermodynamic…
We set out to explore the possibility of investigating the critical behavior of systems with first-order phase transition using deep machine learning. We propose a machine learning protocol with ternary classification of instantaneous spin…
Gibbs statistical mechanics is derived for the Hamiltonian system coupling self-consistently a wave to N particles. This identifies Landau damping with a regime where a second order phase transition occurs. For nonequilibrium initial data…
We consider the Ginzburg-Landau functional defined over a bounded and smooth three dimensional domain. Supposing that the strength of the applied magnetic field varies between the first and second critical fields, in such a way that…
A first order phase transition leading to deconfinement and chiral restoration is a likely possibility for QCD, at least in some region of the temperature-density plane. A signal for a unique transition is that the order parameters for such…
A microscopic description is given for the behavior of the fluid system in an immediate vicinity of its critical point, where theoretical and experimental researches are difficult to carry out. For the temperatures $T<T_c$, the regions of…
The polar properties of antiphase boundaries (APBs) in PbZrO$_3$ are analyzed in detail using a recently developed layer group approach in order parameter space and compared with the results from Landau-Ginzburg free energy description. It…
In the paper, the description of the dielectric and ferroelectric properties of BaTiO_3 single crystals using Landau thermodynamic potential is addressed. Our results suggest that when using the sixth-power free energy expansion of the…
The characteristics of the hadron-to-quark first-order phase transition differ depending on whether charge neutrality is locally or globally fulfilled. In $\beta$-equilibrated matter, these two possibilities correspond to the Maxwell and…
A numerical model is constructed for modelling macroscale damping effects induced by the first order martensite phase transformations in a shape memory alloy rod. The model is constructed on the basis of the modified Landau-Ginzburg theory…
It was shown that in the canonical ensemble the simple exactly soluble statistical model of nuclei decay into nucleons, which is a limiting case of the statistical multifragmentation model, predicts the nuclear first order phase transition…
In a field-theoretical context, we consider the Euclidean $(\phi^4+\phi^6)_D$ model compactified in one of the spatial dimensions. We are able to determine the dependence of the transition temperature ($T_{c}$)for a system described by this…
While the finite-temperature effective potential in a gauge theory is a gauge-dependent quantity, in several instances a first-order phase transition can be triggered by gauge-independent terms. A particularly interesting case occurs when…
A global analysis of the scaling behaviour of a system with a scalar order parameter quenched to zero temperature is obtained by numerical simulation of the Ginzburg-Landau equation with conserved and non conserved order parameter. A rich…
Bismuth ferrite is one of the most widely studied multiferroic materials because of its large ferroelectric polarisation coexisting with magnetic order at room temperature. Using density functional theory (DFT), we identify several…
Recently, dynamical phase transitions have been identified based on the non-analytic behavior of the Loschmidt echo in the thermodynamic limit [Heyl et al., Phys.~Rev.~Lett.~{\bf 110}, 135704 (2013)]. By introducing conditional probability…
First-principles alloy theory is used to establish the $\gamma$-surface of Fe-Cr-Ni alloys as function of chemical composition and temperature. The theoretical stacking fault energy (SFE) versus chemistry and temperature trends agree well…
A gas-liquid type of phase transition is found based on the particle dynamics on radius-$R$ circle in which the coordinate appears as the angle-variable of 1D XY-model. Due to the specific appearance of compact-space radius (volume) in the…
We describe implementation and analysis of a first-principles theory, derived in an earlier work, for the leading terms in an expansion of a Gibbs free energy of a multi-component alloy in terms of order parameters that characterize…
We build up a complete description of QCD phase structure by applying the parametrization of the chiral and deconfinement order parameters upon the calculations from functional QCD approaches. In particular in the first order phase…