Related papers: Experimental evaluation and thermodynamic assessme…
We further develop a thermal LB model for multiphase flows. In the improved model, we propose to use the FFT scheme to calculate both the convection term and external force term. The usage of FFT scheme is detailed and analyzed. By using…
The pairing of fermions is at the heart of superconductivity and superfluidity. The recent experimental realization of strongly interacting atomic Fermi gases has opened a new, controllable way to study novel forms of pairing and…
Exact characterization of phase transitions requires sufficient configurational sampling, necessitating efficient and accurate potential energy surfaces. Molecular force fields with computational efficiency and physical interpretability are…
In this supplemental document we explain the details of our ab initio density functional theory calculations and crystal structure searches performed in CaF2 under pressure. Also we report the computed P-dependence of the formation energy…
The two-component Fermi gas is the simplest fermion system displaying superfluidity, and as such finds applications ranging from the theory of superconductivity to QCD. Ultracold atomic gases provide an exceptionally clean realization of…
We consider a strongly interacting ${}^{6}$Li-${}^{40}$K mixture, which is imbalanced both in the masses and the densities of the two fermionic species. At present, it is the experimentalist's favorite for reaching the superfluid regime. We…
Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and…
A detailed description is given of the phase diagram for a two-component unitary Fermi gas with mass and population imbalance, for both homogeneous and trapped systems. This aims at providing quantitative benchmarks for the…
We investigate a three component fermion mixture in the presence of weak attractive interactions. We use a combination of the equation of motion and the Gaussian variational mean-field approaches, which both allow for simultaneous…
Given the unique optical properties of LiF, it is often used as an observation window in high-temperature and pressure experiments; and, hence, estimates of its transmission properties are necessary to interpret observations. Since direct…
Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…
The phase behavior and kinetic pathways of Li1+xV3O8 are investigated by means of density functional theory (DFT) and a cluster expansion (CE) methodology that approximates the system Hamiltonian in order to identify the lowest energy…
Advancing the functional performance of bismuth ferrite (BiFeO$_3$) requires precise control over phase stability and microstructure, challenges often complicated by secondary phase formation within the Bi$_2$O$_3$-Fe$_2$O$_3$ system. In…
The Green function and the ordering correlation functions of a system of electrons coupled to acoustic phonons are calculated explicitly. The sensitivity of the correlation function exponents to the Wentzel-Bardeen singularity is discussed.…
The phase diagram of the Al-Li system was determined by means of first principles calculations in combination with the cluster expansion formalism and statistical mechanics. The ground state phases were determined from first principles…
We investigate the phase structure of spin-imbalanced unitary Fermi gases beyond mean-field theory by means of the Functional Renormalization Group. In this approach, quantum and thermal fluctuations are resolved in a systematic manner. The…
Currently used methods for the description of thermodynamics of ferroelectric thin films (Landau theory or ab initio based Monte-Carlo simulations) are based on an energy expansion in terms of internal degrees of freedom. It was shown that…
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…
We examine a dilute two-component atomic Fermi gas trapped in a harmonic potential in the superfluid phase. For experimentally realistic parameters, the trapping potential is shown to have crucial influence on various properties of the gas.…
Magnetization processes and phase transitions in a geometrically frustrated triangular lattice Ising antiferromagnet in the presence of an external magnetic field and a random site dilution are studied by the use of an effective-field…