Related papers: First principles evaluation of phase stability in …
The thermodynamics of the interacting system of relativistic particles and antiparticles in the presence of a Bose-Einstein condensate was investigated within the framework of the mean-field model. It is assumed that the total isospin…
We present a novel experimental approach to Bose-Einstein condensation by increasing the particle number of the system at almost constant temperature. In particular the emergence of a new condensate is observed in multi-component F=1 spinor…
Increasing attention is being paid to $\alpha$$_2$ Ti$_3$(Al,Sn) precipitation from the $\alpha$ phase of titanium alloys owing to its effect on slip band formation, localisation and the implications for fatigue performance in jet engine…
We have investigated the structural stability of a binary compound TiSn in the zincblende symmetry. The phonon dispersion studies confirms that, TiSn with a nominal composition of 1:1 can exist in zincblende form. No imaginary frequencies…
In this paper, we consider the numerical approximations for the commonly used binary fluid-surfactant phase field model that consists two nonlinearly coupled Cahn-Hilliard equations. The main challenge in solving the system numerically is…
Sn(1-x)In(x)Te is a possible candidate for topological superconductivity. Previous work has shown that substitution of In for Sn in the topological crystalline insulator SnTe results in superconductivity, with the transition temperature,…
Substitutions of the zirconium and tin ions along with the indium-niobium and iron-niobium complexes for titanium in the barium modified NBT solid solutions impact the formation of phases in the process of the solid state synthesis and the…
Using density functional theory, we investigate systematically mixed MA(Pb:Sn)X3 perovskites, where MA is CH3NH3+, and X is Cl, Br, or I. Ab initio calculations of the orthorhombic, tetragonal, and cubic perovskite phases show that the…
In this paper, we present first-order accurate numerical methods for solution of the heat equation with uncertain temperature-dependent thermal conductivity. Each algorithm yields a shared coefficient matrix for the ensemble set improving…
We extend our previous first-principles theory for perovskite ferroelectric phase transitions to treat also antiferrodistortive phase transitions. Our approach involves construction of a model Hamiltonian from a Taylor expansion,…
We present and compare three distinct atomistic models -- based on first principles and semi-empirical approaches -- of the structural and electronic properties of Ge$_{1-x}$Sn$_{x}$ alloys. Density functional theory calculations…
Particle and photon production is analyzed in the presence of transverse flow using two approximations to describe the properties of the hadronic medium, one containing only $\pi, \rho, \omega$, and $\eta$ mesons (simplified equation of…
The temperature phase transition in the N-component scalar field theory with spontaneous symmetry breaking is investigated in the perturbative approach. The second Legendre transform is used together with the consideration of the gap…
Ir$_{1-x}$Pt$_x$Te$_2$ is an interesting system showing competing phenomenon between structural instability and superconductivity. Due to the large atomic numbers of Ir and Te, the spin-orbital coupling is expected to be strong in the…
We investigate the structural stability and magnetic properties of cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an…
The holographic dual of a finite-temperature gauge theory with a small number of flavours typically contains D-brane probes in a black hole background. We have recently shown that these systems undergo a first order phase transition…
The temperature phase transition in the $N$-component scalar field theory with spontaneous symmetry breaking is investigated using the method combining the second Legendre transform and with the consideration of gap equations in the extrema…
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…
In this paper we derive Kl\"umper-Batchelor-Pearce-Destri-de Vega type nonlinear integral equations for describing the thermodynamics in the sine-Gordon model, when a chemical potential coupled to the topological charge is also present in…
High-throughput ab-initio calculations, cluster expansion techniques and thermodynamic modeling have been synergistically combined to characterize the binodal and the spinodal decompositions features in the pseudo-binary lead chalcogenides…