Related papers: Thermodynamic stability of Fe/O solid solution at …
In this paper, we'll hunt for ordered crystal structures that may be stable, and that would explain the brittleness of electrical steel. I.e we wish to find crystals with negative formation energy, if it turns out that these structures are…
We introduce and test a new and highly efficient method for treating the thermal and radiative effects influencing the energy equation in SPH simulations of star formation. The method uses the density, temperature and gravitational…
Within the model of partial chemical equilibrium (PCE) we calculate the multiplicity ratios of selected unstable resonances to given stable species. We focus on those ratios that have been measured either in Pb+Pb collisions at the LHC or…
We describe a method for calculating, within density functional theory, the electronic structure associated with typical defects which substitute for Cu in the CuO2 planes of high-Tc superconducting materials. The focus is primarily on…
An analytic solution has been found in the Roche approximation for the axially symmetric structure of a hydrostatically equilibrium atmosphere of a neutron star produced by collapse. A hydrodynamic (quasione-dimensional) model for the…
A decrease in the rotational period observed in torsional oscillator measurements was recently taken as a possible indication of a supersolid state of helium. We reexamine this interpretation and note that the decrease in the rotation…
In this work, we revisit the thermodynamical self-consistency of the quasiparticle model with the finite baryon chemical potential adjusted to lattice QCD calculations. Here, we investigate the possibility that the effective quasiparticle…
In amorphous solids at finite temperatures the particles follow chaotic trajectories which, at temperatures sufficiently lower than the glass transition, are trapped in "cages". Averaging their positions for times shorter than the diffusion…
We demonstrate that configurational electronic entropy, previously neglected, in {\it ab initio} thermodynamics of materials can qualitatively modify the finite-temperature phase stability of mixed-valence oxides. While transformations from…
A novel regime of the saturation of the Pierce-type ion-sound instability in bounded ion-beam-plasma system is revealed in 1D PIC simulations. It is found that the saturation of the instability is mediated by the oscillating virtual anode…
We investigate the properties of a strongly interacting imbalanced mixture of bosonic $^{41}$K impurities immersed in a Fermi sea of ultracold $^6$Li atoms. This enables us to explore the Fermi polaron scenario for large impurity…
Employing the state-of-the-art Density Functional Theory with both GGA and hybrid HSE06 functional along with the incorporation of spin-orbit coupling, we have engineered stable room temperature ferromagnetism in non-magnetic LaH$_3$…
Palladium is an ideal system for understanding the behavior of hydrogen in metals. In Pd, H is located both in octahedral sites and in dislocation cores, which act as nanoscale H traps and form Cottrell atmospheres. Adjacent to a…
We develop a systematic framework for the quantum and thermal properties of a Klein-Gordon scalar field subject to an inverted harmonic potential $-{1\over2} m^2\omega^2 x^2$. Starting from a non-Hermitian momentum substitution $P \to P -…
A simple model is proposed aimed to investigate how the amount of dissociated ions influences the mechanical stability of viral capsids. After an osmotic and mechanical equilibrium is established with the outer solution, a non-adiabatic…
The thermodynamic properties of the Zr-Nb alloy are investigated at temperatures below 890 K with ab initio calculations. The solution energies of the bcc Nb-rich and hcp Zr-rich solid solutions obtained within the framework of density…
We present a new approach to analyze homogeneous nucleation based on non-equilibrium thermodynamics. The starting point is the formulation of a Gibbs equation for the variations of the entropy of the system, whose state is characterized by…
The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…
The transport properties (electrical resistivity, thermal conductivity, and viscosity) of iron-hydrogen alloys are of great significance in the stability and evolution of planetary magnetic fields. Here, we investigate the thermal transport…
We study the impurity suppression of the critical temperature $T_c$ of the FeAs superconductors theoretically based on the the $\pm$s-wave pairing state of a two band model. The effects of non-magnetic and magnetic impurities are studied…