相关论文: Thermodynamic stability of Fe/O solid solution at …

The problem of the thermal and magnetic destruction of the critical state in composite superconductors is investigated. The initial distributions of temperature and electromagnetic field are assumed to be essentially inhomogeneous. The…

We develop a general stability analysis for objective structures, which constitute a far reaching generalization of crystal lattice systems. We show that these particle systems, although in general neither periodic nor space filling, allow…

We study the T=0 Kondo physics of a spin-1/2 impurity in a non-centrosymmetric metal with spin-orbit interaction. Within a simple variational approach we compute ground state properties of the system for an {\it arbitrary} form of…

Investigations of dynamic and thermodynamic properties for a molecular crystal tris-hexafluoroacetylacetonate-iron $Fe(O_2C_5HF_6)_3$ are presented. Heat capacity $C_p(T)$ has been measured by adiabatic calorimetry method in the temperature…

We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations…

Elastic and inelastic neutron scattering studies of Li(Ni$_{1-x}$Fe$_{x}$)PO$_4$ single crystals reveal anomalous spin-wave dispersions along the crystallographic direction parallel to the characteristic wave vector of the magnetic…

The phase purity and the lattice dynamics in bulk EuTiO3 were investigated both microscopically, using X-ray and neutron diffraction, 151-Eu-M\"ossbauer spectroscopy, and 151-Eu nuclear inelastic scattering, and macroscopically using…

We prove a logarithmic stability estimate for the inverse problem of determining the potential in a wave equation from boundary measurements obtained by varying the first component of the initial condition. The novelty of the present work…

Any material in thermal equilibrium exhibits fundamental thermodynamic fluctuations of its mechanical and optical properties. Such thermodynamic fluctuations of length, elastic constants, and refractive index of amorphous materials -- like…

The structural, electronic, mechanical and thermal properties of Ir$_{1-x}$Rh$_{x}$ alloys were studied systematically using ab initio density functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75, 1.00). A Special…

High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…

Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…

An ab initio Wannier-function-based approach to electronic ground-state calculations for crystalline solids is outlined. In the framework of the linear combination of atomic orbitals method the infinite character of the solid is rigorously…

Quantum impurities interacting with quantum environments offer unique insights into many-body systems. Here, we explore the thermometric potential of a neutral impurity immersed in a harmonically trapped bosonic quantum gas below the…

Developing new methods for predicting electromagnetic instabilities in cardiac activity is of primary importance. However, we still need a comprehensive view of the heart's magnetic activity at the tissue scale. To fill this gap, we present…

We propose quantum simulation experiments of the Kondo impurity problem using cold alkaline-earth(-like) atoms (AEAs) in a combination of optical lattice and optical tweezer potentials. Within an ab initio model for atomic interactions in…

A simple model of inelastic hard-rods subject to a one-dimensional array of identical wells is introduced. The energy loss due to inelastic collisions is balanced by the work supplied by an external stochastic heat-bath. We explore the…

We apply a general first-principles approach to derive the phase diagram of metallic Lithium at ambient pressure between 0 and 350 K, including identification of candidate phases. We use ab initio random structure searching (AIRSS) to…

We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formalisms. In particular, anharmonic effects in the nuclear…

This paper presents numerical linear stability analysis of a cylindrical Taylor-Couette flow of liquid metal carrying axial electric current in a generally helical external magnetic field. Axially symmetric disturbances are considered in…