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Molecular dynamic simulation of heating of titanium nanoclusters
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022 The melting of titanium nanoclusters Tin (n = 3599, 28725, 97045) with different heating rates (from 0,1 to and 10,0 TK/s) was studied by the molecular dynamics method.
N.A. Pan'kin
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Molecular-Dynamics Simulation Methods for Macromolecular Crystallography [PDF]
Acta Crystallographica Section D Structural Biology, 2022 Abstract To assess the potential benefits of molecular-dynamics (MD) simulations for macromolecular crystallography (MX), we performed room-temperature X-ray diffraction studies of the catalytic subunit of mouse protein kinase A (PKA-C).
David C. Wych +7 more
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Nanomaterials, 2022 Evaluation of impact characteristics of carbon nanomaterials is very important and helpful for their application in nanoelectromechanical systems (NEMS).
Yoshitada Tomioka +3 more
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A Method for Molecular Dynamics on Curved Surfaces [PDF]
Biophysical Journal, 2016 Dynamics simulations of constrained particles can greatly aid in understanding the temporal and spatial evolution of biological processes such as lateral transport along membranes and self-assembly of viruses. Most theoretical efforts in the field of diffusive transport have focussed on solving the diffusion equation on curved surfaces, for which it is
Paquay, S., Kusters, R.P.T.
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Curved and Layered Structures, 2022 Al-Cu Nanocomposites (NCs) are widely used in industrial applications for their high ductility, light weight, excellent thermal conductivity, and low-cost production.
Abdulrehman Mohammed Ali +2 more
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High Voltage, 2021 Reducing the dielectric constant and loss of cellulose insulation can make the electric field distribution uniform in oil‐paper insulation systems and decrease the heat generation in dielectric materials, thus ensuring a reliable transformer operation ...
Wei Hou +5 more
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Variability of structural transformations in bimetallic Cu-Ag nanoalloys
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022 In this work, bimetallic Cu-Ag nanoparticles of five stoichiometric compositions of various sizes were studied by molecular dynamics method using a many body EAM potential.
N.I. Nepsha +6 more
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Nanomaterials, 2023 In this work, we further developed a new approach for modeling the processes of the self-assembly of complex molecular nanostructures using molecular dynamics methods; in particular, using a molecular dynamics manipulator.
Vladimir Bystrov +3 more
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Scenarios of structure formation in four-component nanoparticles: atomistic simulation
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023 Scenarios of structure formation in four-component nanoparticles are considered. The objects of study were Au-Cu-Pd-Pt nanoparticles containing N = 400, 800, 1200, 1600, 2000, 4000 atoms of the stoichiometric composition Au3CuPd12Pt4.
A.Yu. Kolosov +5 more
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Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2021 In this work, of the structure formation was investigated using Au-Ag, Ti-Al, Ti-V bimetallic nanoparticles as the patterns. These bimetallic nanoparticles have different atomic size mismatches and different crystallization temperatures.
V.S. Myasnichenko +5 more
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