Related papers: Comment on Proposed model for calculating the stan…
Using two extremely different models of glass formers in two and three dimensions we demonstrate how to encode the subtle changes in the geometric rearrangement of particles during the scenario of the glass transition. We construct a…
In a recently developed microscopic mean field theory, we have shown that the dynamics of a system, when described only in terms of its pair structure, can predict the correct dynamical transition temperature. Further, the theory predicted…
The addition of transition metal elements can significantly modify physical properties of intermetalic compounds. We studied the influence of Molybdenum and Vanadium additives on thermal expansion coefficient (CTE) of Fe/sub 3/Al and FeAl…
A thermodynamic model of formation of multi-component solid solutions as a thermodynamic mixture of their binary components, is proposed. There are obtained expressions for the effective temperature of the equilibrium state of the solid…
We consider a hypothetical substance, where interaction between (within) structural elements of condensed matter (molecules, nanoparticles, clusters, layers, wires etc.) depends on state of Cooper pairs: an additional work must be made…
The model of Zhao and Suo can be readily generalized to predict the critical breakdown electric field $E_c$ value of elastomers with arbitrary elastic strain energy function. An explicit expression for $E_c$ is presented for elastomeric…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lot of new bulk-immiscible alloys. Although numerous alloys…
The correct calculation of formation enthalpy is one of the enablers of ab-initio computational materials design. For several classes of systems (e.g. oxides) standard density functional theory produces incorrect values. Here we propose the…
Theoretically, we recently showed that the scaling relation between the transition temperature T_c and the superfluid density at zero temperature n_s (0) might exhibit a parabolic pattern [Scientific Reports 6 (2016) 23863]. It is…
The solid-liquid equilibria and excess enthalpies of the binary systems of propiophenone and {N-methylformamide, or N,N-dimethylformamide, or N,N-dimethylacetamide, or N-methyl-2-pyrrolidone} were measured. The SLE datawere determined by…
For a given crystal structure, say body-centred-cubic, the many-body Hamiltonian in which nuclear and electron motions are to be treated from the outset on the same footing, has parameters, for the elements, which can be classified as (i)…
We present a second-nearest-neighbor Modified Embedded Atom Method (2NN--MEAM) potential for Scandium (Sc) and Aluminum-Scandium (Al--Sc) alloys that unifies cohesive, thermodynamic, and solidification behavior within a single transferable…
The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in…
We propose a statistical mechanical framework to unify the observed relationship between the superconducting energy gap $\Delta$, the pseudogap $\Delta^\ast$, and the critical temperature $T_\mathrm{c}$. In this model, fermions couple as a…
Herein we report an analytical procedure to calculate the enthalpy of formation for thin film multinary compounds from sputtering rates measured during ion bombardment. The method is based on Sigmund's sputtering theory and the Born-Haber…
In this work, we introduce a novel approach for predicting thermodynamic properties of binary mixtures, which we call the similarity-based method (SBM). The method is based on quantifying the pairwise similarity of components, which we…
The 12C+12C sub-barrier fusion cross section is calculated within the framework of a Time Dependent Hartree-Fock (TDHF) based classical model using the Feynman Path Integral Method. The modified astrophysical S*-factor is compared to direct…
We consider a model where, for a finite disintegrating system, yields of composites can be calculated to arbitrary accuracy. An analytic answer for yields is also known in the thermodynamic limit. In the range of temperature and density…
In Phys. Rev. E, $99$, 047201 (2019) Witte {\it et al.} have commented on our conductivity calculations [Phys. Rev. E $96$, 053206 (2017)] for warm dense matter (WDM). (i) They criticize our use of the spherically-averaged structure factor…