Related papers: Finite Temperature Stacking Fault Stability in Ran…

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…

We analyze vacuum instability of strongly coupled gauge theories in a constant electric field using AdS/CFT correspondence. The model is the N=2 1-flavor supersymmetric large N_c QCD in the strong 't Hooft coupling limit. We calculate the…

Stacking fault energy (SFE) is an essential parameter for characterizing mechanical properties. However, in high entropy alloys (HEAs), the local chemical environment varies significantly across different stacking fault planes, resulting in…

Trajectories provide dynamical information that is discarded in free energy calculations, for which we sought to design a scheme with the hope of saving cost for generating dynamical information. We first demonstrated that snapshots in a…

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…

Kohn-Sham (KS) eigenvalues are routinely compared with angle-resolved photoemission (ARPES) and used as input for many-body methods, yet density functional theory (DFT) assigns them no physical meaning. For alkali and alkaline-earth metals,…

The recently developed localized orbital scaling correction (LOSC) method shows the ability to systematically and size-consistently reduce the delocalization error existing in conventional density functional approximations (DFAs). Applying…

We propose a diagnostic for finite temperature topological order using `topological entanglement negativity', the long-range component of a mixed-state entanglement measure. As a demonstration, we study the toric code model in $d$ spatial…

We study the Intermediate Scattering Function (ISF) of the strongly-nonlinear Fermi-Pasta Ulam Model at thermal equilibrium, using both numerical and analytical methods. From the molecular dynamics simulations we distinguish two limit…

Medium-entropy alloys (MEAs) such as CoCrFeNi and CoCrNi are promising structural materials owing to their outstanding mechanical and thermal properties, which arise from complex chemical disorder and atomic-scale interactions. Although…

We theoretically study finite temperature properties of interacting fermion systems under geometrical frustration in the charge degree of freedom. Physical quantities such as charge structure factors, the specific heat, and the entropy, of…

The focus of the present research is on the analysis of local energy stability of high-order (including split-form) summation-by-parts methods, with e.g. two-point entropy-conserving fluxes, approximating non-linear conservation laws. Our…

We consider the symmetry-resolved R\'{e}nyi and entanglement entropies for two-dimensional conformal field theories on a circle at nonzero temperature. We assume a unique ground state with a nonzero mass gap induced by the system's finite…

We consider a family of conforming space-time finite element discretizations for the wave equation based on splines of maximal regularity in time. Traditional techniques may require a CFL condition to guarantee stability. Recent works by O.…

Kondo effect is an example of asymptotic freedom where the antiferromagnetic coupling between a localized magnetic moment and valence electrons, increases with reducing temperature. The electronic spectral function for such a system…

This work reports on the temperature dependence of the electron spin resonance (ESR) of Gd$^{3+}$-doped SmB$_{6}$ single crystals at X- and Q-band microwave frequencies in different crystallographic directions. We found an anomalous…

We consider the elastic theory for Ising transitions in an isotropic elastic medium in the zero thermal expansion (ZTE) limit. We use this theory to study the nature of the fluctuations in the system near the second phase transitions at…

We investigate the phase structure and the equation of state (EoS) for dense two-color QCD (QC$_2$D) at low temperature ($T = 40$ MeV, $32^4$ lattice) for the purpose of extending our previous works~\cite{Iida:2019rah, Iida:2022hyy} at…

The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermodynamic derivative error. The VS scheme handles quantum…