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By using the arc-melting method, we successfully synthesized the compound Sc$_{0.5}$Zr$_{0.5}$Co with the space group of $Pm$-$3m$. Both the resistivity and magnetic susceptibility measurements reveal a phase transition at about 86 K. This…
Extending recent results in the isentropic case, we use a combination of asymptotic ODE estimates and numerical Evans-function computations to examine the spectral stability of shock-wave solutions of the compressible Navier--Stokes…
The performance of density functional theory (DFT) approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determined enthalpies of formation from elemental phases, {\Delta}Hf.…
We study the thermodynamics of a self-gravitating system of neutral fermions at finite temperature and analyze its backreaction in an asymptotically AdS space. We evaluate numerically the free entropy as a function of temperature, and…
We test how metallicity variation (a background gradient and fluctuations) affects the physics of local thermal instability using analytical calculations and idealized, high-resolution 1D hydrodynamic simulations. Although the cooling…
We study temperature fluctuations in mesoscopic $N$-body systems undergoing non-equilibrium processes from the perspective of stochastic thermodynamics. By introducing a stochastic differential equation, we describe the evolution of the…
The key problem of statistical physics standing over one hundred years is how to exactly calculate the partition function (or free energy) of many-body interaction systems, which severely hinders application of the theory for realistic…
We consider the effects of the non-local Ising-like "core spin" correlations on the order-parameter fluctuation contribution to the resistivity and thermodynamics of metals showing Ising-like order at finite temperature. We employ the…
Quantitative description of finite-temperature properties of displacive ferroelectrics, and in particular the critical behavior, is of fundamental importance to both theory and device design, going beyond the Landau-Ginzburg approach, which…
Provably stable flux reconstruction (FR) schemes are derived for partial differential equations cast in curvilinear coordinates. Specifically, energy stable flux reconstruction (ESFR) schemes are considered as they allow for design…
Reliable and robust convergence to the electronic ground state within density functional theory (DFT) Kohn-Sham (KS) calculations remains a thorny issue in many systems of interest. In such cases, charge sloshing can delay or completely…
The stability of static solutions of the spherically symmetric, asymptotically flat Einstein-Vlasov system is studied using a Hamiltonian approach based on energy-Casimir functionals. The main result is a coercivity estimate for the…
Precise evaluation of the isotope shift (IS) factors for seven low-lying potassium (K) states is achieved using relativistic coupled-cluster (RCC) theory. The energies of these states are assessed and compared with experimental data to…
To be useful, steady state thermodynamics (SST) must be self-consistent and have predictive value. Although consistency of SST was recently verified for driven lattice gases under global weak exchange, I show here that it does not predict…
We show various aspects of finite size effects on Bose-Einstein condensation(BEC). In the first section we introduce very briefly the BEC of harmonically trapped ideal Bose gas. In the second section we theoretically argued that…
The microscopic arrangement of atoms and molecules is the determining factor in how materials behave and perform. Beyond the long-range periodicity, the local disorder with local structures deviating from the average lattice structure plays…
Hafnia (HfO2) is a silicon-compatible dielectric material, yet stabilizing its desired but metastable ferroelectric phase remains challenging. Phase stability predictions by density functional theory (DFT) have provided crucial guidance,…
The temperature-dependent evolution of the Kondo lattice is a long-standing topic of theoretical and experimental investigation and yet it lacks a truly microscopic description of the relation of the basic $f$-$d$ hybridization processes to…
Combined measurements of normal and inverted Hanle effects in CoFe/MgO/semiconductor (SC) contacts reveal the effect of spin relaxation rate on the interfacial spin depolarization (ISD) from local magnetic fields. Despite the similar…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…