Search Results - "Sushko, Gennady"
-
1
Modeling MesoBioNano systems with MBN Studio made easy
Published in Journal of molecular graphics & modelling (01-05-2019)“…This paper introduces MesoBioNano (MBN) Studio – a graphical user interface for a popular multiscale simulation package MBN Explorer. MBN Studio has been…”
Get full text
Journal Article -
2
Extremely brilliant crystal-based light sources
Published in The European physical journal. D, Atomic, molecular, and optical physics (01-09-2022)“…The feasibility of novel gamma-ray light sources based on the channeling phenomenon of ultrarelativistic charged particles in oriented crystals is demonstrated…”
Get full text
Journal Article -
3
All-atom relativistic molecular dynamics simulations of channeling and radiation processes in oriented crystals
Published in The European physical journal. D, Atomic, molecular, and optical physics (01-03-2021)“…We review achievements made in recent years in the field of numerical modeling of ultra-relativistic projectiles propagation in oriented crystals, radiation…”
Get full text
Journal Article -
4
Reactive molecular dynamics simulations of organometallic compound W(CO)6 fragmentation
Published in The European physical journal. D, Atomic, molecular, and optical physics (01-10-2019)“…Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of…”
Get full text
Journal Article -
5
Ultra-relativistic electron beams deflection by quasi-mosaic crystals
Published in The European physical journal. D, Atomic, molecular, and optical physics (01-12-2022)“…This paper provides an explanation of the key effects behind the deflection of ultra-relativistic electron beams by means of oriented ‘quasi-mosaic’ Bent…”
Get full text
Journal Article -
6
Atomistic modeling of thermal effects in focused electron beam-induced deposition of Me2Au(tfac)
Published in The European physical journal. D, Atomic, molecular, and optical physics (2023)“…The role of thermal effects in the focused electron beam-induced deposition (FEBID) of Me 2 Au(tfac) is studied by means of irradiation-driven molecular…”
Get full text
Journal Article -
7
Molecular dynamics for irradiation driven chemistry: application to the FEBID process
Published in The European physical journal. D, Atomic, molecular, and optical physics (01-10-2016)“…A new molecular dynamics (MD) approach for computer simulations of irradiation driven chemical transformations of complex molecular systems is suggested. The…”
Get full text
Journal Article -
8
Simulation of ultra-relativistic electrons and positrons channeling in crystals with MBN Explorer
Published in Journal of computational physics (01-11-2013)“…A newly developed code, implemented as a part of the MBN Explorer package (Solovʼyov et al., 2012; http://www.mbnexplorer.com/, 2012) [1,2] to simulate…”
Get full text
Journal Article -
9
Dopant concentration effects on Si1-xGex crystals for emerging light-source technologies: a molecular dynamics study
Published in The European physical journal. D, Atomic, molecular, and optical physics (2024)“…In this study, we conduct atomistic-level molecular dynamics simulations on fixed-sized silicon-germanium (Si 1 - x Ge x ) crystals to elucidate the effects of…”
Get full text
Journal Article -
10
Multiscale simulation of the focused electron beam induced deposition process
Published in Scientific reports (30-11-2020)“…Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it…”
Get full text
Journal Article -
11
Irradiation-driven molecular dynamics simulation of the FEBID process for Pt(PF 3 ) 4
Published in Beilstein journal of nanotechnology (2021)“…This paper presents a detailed computational protocol for the atomistic simulation of formation and growth of metal-containing nanostructures during focused…”
Get full text
Journal Article -
12
Molecular dynamics simulations of the nanoindentation process of titanium crystal
Published in Computational materials science (01-08-2013)“…► MD simulations of nanoindentation of a Ti crystal consisting of 1,000,000atoms. ► Three different shapes of the indenter (square, conical, spherical) are…”
Get full text
Journal Article -
13
Multi-GeV electron and positron channeling in bent silicon crystals
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (15-07-2015)“…The planar channeling of 3…20GeV electrons and positrons in bent Si(111) crystal was simulated by means of the MBN Explorer software package. The results of…”
Get full text
Journal Article -
14
Toward the Exploration of the NiTi Phase Diagram with a Classical Force Field
Published in Journal of physical chemistry. C (03-11-2016)“…Classical force fields, used for atomistic modeling of metal materials, are typically constructed to match low-temperature properties obtained in experiments…”
Get full text
Journal Article -
15
Validation of Classical Force Fields for the Description of Thermo-Mechanical Properties of Transition Metal Materials
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18-09-2014)“…It is demonstrated that classical force fields validated through the density functional theory (DFT) calculations of small titanium and nickel clusters can be…”
Get full text
Journal Article -
16
Molecular Dynamics Simulation of Self-Diffusion Processes in Titanium in Bulk Material, on Grain Junctions and on Surface
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-08-2014)“…The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by…”
Get full text
Journal Article -
17
Simulation of channeling and radiation of 855MeV electrons and positrons in a small-amplitude short-period bent crystal
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (15-11-2016)“…Channeling and radiation are studied for the relativistic electrons and positrons passing through a Si crystal periodically bent with a small amplitude and a…”
Get full text
Journal Article -
18
Intensive γ -ray light sources based on oriented single crystals
Published in Physical review. Accelerators and beams (01-10-2024)“…The feasibility of gamma-ray light sources based on the channeling phenomenon of ultrarelativistic electrons and positrons in oriented single crystals is…”
Get full text
Journal Article -
19
Cover Image
Published in Journal of computational chemistry (05-08-2022)Get full text
Journal Article -
20