922 citations · 1.6k across the 26 of their papers we have counts for
26 papers
Dislocation structure and mobility in the layered semiconductor InSe: A first-principles study
A. N. Rudenko, M. I. Katsnelson, Yu. N. Gornostyrev
The structure and mobility of dislocations in the layered semiconductor InSe is studied within a multiscale approach based on generalized Peierls--Nabarro model with material-speci…
Origin of the vortex displacement field in twisted bilayer graphene
Yu. N. Gornostyrev, M. I. Katsnelson
Model description of patterns of atomic displacements in twisted bilayer systems has been proposed. The model is based on the consideration of several dislocation ensembles, employ…
Uncommon clustering in dilute Ti-Fe alloys
D. W. Boukhvalov, Yu. N. Gornostyrev, M. I. Katsnelson
We present the results of ab initio modeling of structure of dilute Ti-Fe, a typical representative of quenched Ti-based transition-metal alloys. We have demonstrated that beyond t…
Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions
A. Yu. Stroev, O. I. Gorbatov, Yu. N. Gornostyrev +1
Using methods of statistical kinetic theory parametrized with first-principles interatomic interactions that include chemical and strain contributions, we investigated the kinetics…
Peculiar metastable structural state in carbon steel
S. A. Murikov, A. V. Shmakov, V. N. Urtsev +4
The kinetics of phase transformations at cooling of carbon steel in dependence on the temperature of preliminary annealing T is studied. It is shown that the cooling from T$…
Ab initio based analysis of grain boundary segregation in Al-Mg and Al-Zn binary alloys
M. V. Petrik, A. R. Kuznetsov, N. Enikeev +2
Based on ab-initio simulations, we report on the nature of principally different mechanisms for interaction of Mg and Zn atoms with grain boundaries in Al alloys leading to differe…