Related papers: Chemical complexity in high entropy alloys: A pair…
We discuss the prospects for parity non-conservation experiments with highly charged heavy ions. Energy levels and parity mixing for heavy ions with two to five electrons are calculated. We investigate two-photon-transitions and the…
We investigate the model of "reversible ratchet" with interacting particles, introduced by us earlier [Europhys. Lett. 84, 50009 (2008)]. We further clarify the effect of efficiency enhancement due to interaction and show that it is of…
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…
While the density functional theory with integral equations techniques are very efficient tools in numerical analysis of complex fluids, an analytical insight into the phenomenon of effective interactions is still limited. In this paper we…
The bilayer Hubbard model with an intra-layer hopping $t$ and an inter-layer hopping $t_\perp$ provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of…
We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two phase thermodynamic (2PT) model based on a decomposition of the velocity autocorrelation function into…
In the rapidly emerging field of nanotechnology, as well as in biology where chemical reaction phenomena take place in systems with characteristic length scales ranging from micrometer to the nanometer range, understanding of chemical…
High-entropy materials have attracted considerable interest due to the combination of useful properties and promising applications. Predicting their formation remains the major hindrance to the discovery of new systems. Here we propose a…
The Pair Approximation method is applied to studies of the magnetic Ising-Heisenberg bilayer with simple cubic structure and spin $S=1/2$. The method allows to take into account quantum effects related to Heisenberg couplings. In the paper…
Tungsten (W) exhibits desirable properties for extreme applications, such as the divertor in magnetic fusion reactors, but its practicality remains limited due to poor formability and insufficient irradiation resistance. In this work, we…
The energy and analytic gradient are developed for FMO combined with the Hartree-Fock method augmented with three empirical corrections (HF-3c). The auxiliary basis set approach to FMO is extended to perform pair interaction energy…
We observe an enhanced visibility of charge-density-wave correlations in a cold-atom realization of the attractive Hubbard model following a rapid boost of the interaction strength. The interaction boost associates nonlocal pairs into…
The lattice dynamics for NiCo, NiFe, NiFeCo, NiFeCoCr, and NiFeCoCrMn medium to high entropy alloy have been investigated using the DFT calculation. The phonon dispersions along three different symmetry directions are calculated by the…
In theories of Partial Compositeness the top quark is a mixture of a composite and an elementary state, and as a consequence its interactions with gauge bosons are expected to deviate from those of a point-like object. At sufficiently large…
The paper investigates a systematic approach to modeling in nonequilibrium thermodynamics by focusing upon the notion of interconnections, where we propose a novel Lagrangian variational formulation of such interconnected systems by…
Accurate and useful analytic approximations are developed for order parameter profiles and interfacial tensions of phase-separated binary mixtures of Bose-Einstein condensates. The pure condensates 1 and 2, each of which contains a…
Transition metal oxides have been one of the central objects in the studies of electron correlation effects because of their rich variety of physical properties mainly depending on the transition metal element. On the other hand, exploiting…
Single-particle radiative mechanism of $\gamma$ emission embedded into the pre-equilibrium exciton model is used to calculate the $\gamma$ emission from a decay of $^{160}$Er$^{*}$ created in two different ways. The initial stage of a…
Pair vibrations are studied for a Hamiltonian with neutron-neutron, proton-proton and neutron-proton pairing. The spectrum is found to be rich in strongly correlated, low-lying excited states. Changing theratio of diagonal to off-diagonal…
The structural properties of liquid GeSe$_2$ are studied by using first-principles molecular dynamics in conjuncton with the Becke, Lee, Yang and Parr (BLYP) generalized gradient approximation for the exchange and correlation energy. The…