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For classical discrete systems under constant composition, a set of microscopic state dominantly contributing to thermodynamically equilibrium structure should depend on temperature and energy through Boltzmann factor, exp(-bE). Despite…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
Suplementary algoritm for optimizing technological parameters of soft magnetic compozities has been derived on the base of topological structure of the power loss characteristics. In optimization processes of magnitudes obeying scaling it…
Half-Heusler compounds have emerged as promising thermoelectric materials that offer huge compositional space to tune their thermoelectric performance. A class of stable half Heusler compounds formed from elements of three specific groups…
The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and then it was successfully fabricated by hot pressing…
Masses of superheavy (SH) nuclei with $Z=98-128$, including odd and odd-odd nuclei, are systematically calculated within the microscopic-macroscopic model based on the deformed Woods-Saxon potential. Ground states are found by minimizing…
Taking into considerations the wide compositional stretch of Heusler alloys, the first principles density functional theory based calculations are excellently suitable for estimating the multifaceted properties of alkali metal based LiVSb…
We propose that the reason for the non-ideal behavior seen in lattice simulation of quark gluon plasma (QGP) and relativistic heavy ion collisions (URHICs) experiments is that the QGP near T_c and above is strongly coupled plasma (SCP),…
Equiatomic TaNbHfZr refractory high-entropy alloys (HEAs) were synthesized by arc-melting. The HEAs were annealed at 1800{\deg}C for different times, at maximum up to 8 days. Their on average body-centered cubic (bcc), solid-solution…
Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential…
For classical discrete systems with constant composition (typically referred to substitutional alloys) under thermodynamically equilibrium state, macroscopic structure should in principle depend on temperature and many-body interaction…
The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions and astrophysical phenomena. A recently developed quantum statistical (QS) approach that takes the formation of…
First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…
Applying the approximate DFT-1/2 quasiparticle scheme, band structure unfolding, and generalized quasichemical approximation to describe chemical and structural disorder, we investigate the electronic structure of Bi$_{1-x}$Sb$_x$ alloys…
A general thermodynamic framework is presented for open quantum systems in fixed contact with a thermal reservoir. The first and second law are obtained for arbitrary system-reservoir coupling strengths, and including both factorized and…
We study the equilibrium and near-equilibrium properties of a holographic five-dimensional model consisting of Einstein gravity coupled to a scalar field with a non-trivial potential. The dual four-dimensional gauge theory is not conformal…
We investigate the zero-temperature and the finite-temperature properties of the two-dimensional antiferromagnetic quantum spin system composed of the s=1/2 and s=1 spins. The spin excitation spectrum as well as the thermodynamic quantities…
An inhomogeneous random recursive lattice was constructed from the multi-branched Husimi square lattice. The number of repeating units connected on one vertex was randomly set to be 2 or 3 with a quenched ratio $P_2$ or $P_3$ with…
We adapt and study a variance reduction approach for the homogenization of elliptic equations in divergence form. The approach, borrowed from atomistic simulations and solid-state science [von Pezold et al, Physical Review B 2010; Wei et…
We review topological properties of two series of ternary compounds AMgBi (A=K, RB, Cs) and ABC with a hexagonal ZrBeSi type structure. The first series of materials AMgBi are predicted to be topological critical Dirac semimetals. The…