17 citations · 42 across the 6 of their papers we have counts for
6 papers
Muiltiscale modeling of electrical conductivity of R-BAPB polyimide + carbon nanotubes nanocomposites
S. V. Larin, S. V. Lyulin, P. A. Likhomanova +3
The electrical conductivity of the polyimide R-BAPB polymer filled with single-wall carbon nanotubes (CNT) with chirality (5,5) is modeled using a multi-scale approach. The modelin…
Studies of concentration and temperature dependencies of precipitation kinetics in iron-copper alloys using kinetic monte carlo and stochastic statistical simulations
K. Yu. Khromov, V. G. Vaks, I. A. Zhuravlev
The earlier-developed ab initio model and the kinetic Monte Carlo method (KMCM) are used to simulate precipitation in a number of iron-copper alloys with different copper concentra…
Stochastic statistical theory of nucleation and evolution of nano-sized precipitates in alloys with application to precipitation of copper in iron
K. Yu. Khromov, F. Soisson, A. Yu. Stroev +1
The consistent and computationally efficient stochastic statistical approach (SSA) is suggested to study kinetics of nucleation and evolution of nano-sized precipitates in alloys.…
Characteristic features of anharmonic effects in the lattice dynamics of fcc metals
M. I. Katsnelson, A. V. Trefilov, K. Yu. Khromov
The dispersion in the entire Brillouin zone and the temperature dependence (right up to the melting temperature) of the anharmonic frequency shift and phonon damping in a number of…
Peculiarities of anharmonic lattice dynamics and thermodynamics of alkaline-earth metals
M. I. Katsnelson, A. V. Trefilov, M. N. Khlopkin +1
The calculations are performed for a broad range of the properties of Ca and Sr in the fcc and bcc phases. A detailed information on the magnitude and character of temperature depe…
Peculiarities of phonon spectra and lattice heat capacity in Ir and Rh
M. I. Katsnelson, I. I. Naumov, A. V. Trefilov +2
A simple pseudopotential model is proposed, which allows the phonon spectra and temperature dependence of the lattice heat capacity of Ir and Rh be described with a high enough acc…