Related papers: Efficient method for calculation of low-temperatur…
Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on three-phonon scattering process is bound with…
In this article, we examine different approaches for calculating low frequency opacities in the warm dense matter regime. The relevance of the average-atom approximation and of different models for calculating opacities, such as the Ziman…
At ambient pressure tin transforms from its ground-state semi-metal $\alpha$-Sn (diamond structure) phase to the compact metallic $\beta$-Sn phase at 13$^\circ$C (286K). There may be a further transition to the simple hexagonal $\gamma$-Sn…
We use the linear sigma model with quarks to locate the critical end point in the effective QCD phase diagram accounting for fluctuations in temperature and quark chemical potential. For this purpose, we use the non-equilibrium formalism…
We present a systematic ab initio study of the temperature and pressure dependent thermoelastic properties of hcp beryllium within the quasi-harmonic approximation (QHA). The accuracy of the Zero Static Internal Stress Approximation (ZSISA)…
Quantitative evaluations of the free energy of materials must take into account thermal and zero-point energy fluctuations. While these effects can easily be estimated within a harmonic approximation, corrections arising from the anharmonic…
High-through computational thermodynamic approaches are becoming an increasingly popular tool to uncover novel compounds. However, traditional methods tend to be limited to stability predictions of stoichiometric phases at absolute zero.…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
A general procedure is established to calculate the quantum phase diagrams for finite matter-field Hamiltonian models. The minimum energy surface associated to the different symmetries of the model is calculated as a function of the…
We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…
The temperature induced phase transition is investigated in the one-component scalar field \phi^4 model on a lattice by using Monte Carlo simulations. Using the GPGPU technology a huge amount of data is collected that gives a possibility to…
In this report we consider the numerical simulations at finite temperature using lattice QCD data for the computation of the thermodynamical quantities including the pressure, energy density and the entropy density. These physical…
The microscopic approach to calculating the free energy of a three-dimensional Ising-like system in a homogeneous external field is developed in the higher non-Gaussian approximation (the $\rho^6$ model) at temperatures above the critical…
We calculate the energy gap (latent heat) and pressure gap between the hot and cold phases of the SU(3) gauge theory at the first order deconfining phase transition point. We perform simulations around the phase transition point with the…
While the ability to measure low temperatures accurately in quantum systems is important in a wide range of experiments, the possibilities and the fundamental limits of quantum thermometry are not yet fully understood theoretically. Here we…
The thermodynamics of QCD with sufficiently heavy dynamical quarks can be described by a three-dimensional Polyakov loop effective theory, obtained after a truncated character and hopping expansion. We investigate the resulting phase…
We study the finite-temperature behavior of the Lipkin-Meshkov-Glick model, with a focus on correlation properties as measured by the mutual information. The latter, which quantifies the amount of both classical and quantum correlations, is…
We study the partition function and free energy of the Curie-Weiss model with complex temperature, and partially describe its phase transitions. As a consequence, we obtain information on the locations of zeros of the partition function.
We study the QCD phase diagram using the linear sigma model coupled to quarks. We compute the effective potential at finite temperature and quark chemical potential up to ring diagrams contribution. We show that, provided the values for the…
In efforts to determine phase transitions in the disintegration of highly excited heavy nuclei, a popular practice is to parametrise the yields of isotopes as a function of temperature in the form $Y(z)=z^{-\tau}f(z^{\sigma}(T-T_0))$, where…