Results 1 to 10 of about 10,291,480 (158)
Modelling of the L12 → FCC phase transition in Cu3Au nanoclusters [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2017 Boundaries of thermal stability of the initial L12 phase in clusters of Cu3Au nano-alloy of up to 8 nm in size were investigated by molecular dynamics method using a modified tight-binding potential TB-SMA.
Yu.Ya. Gafner +3 more
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Comparative molecular dynamics simulation of synthesis of silver nanoparticles from the gas phase
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022 A comparative molecular dynamics simulation of the gas-phase synthesis of Ag nanoparticles is carried out employing two different types of many-particle potentials of the interatomic interaction: a potential corresponding to the embedded atom method and ...
S.A. Vasilyev +3 more
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Modeling of processes of structure formation in bimetallic nanoalloys of different composition [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2017 In this work the processes of an internal structure formation in copper-bearing nanoalloys of silver, cobalt and palladium were studied using molecular dynamics with a modified tight-binding potential.
V.S. Myasnichenko +5 more
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ChemElectroChem, 2023 In modelling electrochemical interfaces it is important to treat electrode and electrolyte at the same level of theory. Density functional theory, which is usually the method of choice, suffers from a distinct disadvantage: The inner potential is ...
Prof. Dr. Paola Quaino +5 more
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Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022 The process of synthesis of CuAu nanoclusters from a high-temperature gas phase was simulated. The molecular dynamics method was employed, 1124 Cu and Au atoms were used as the initial configuration.
Yu.Ya. Gafner, D.A. Ryzhkova
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Thermal stability of copper clusters with the size of 100 — 150 atoms [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2017 In the framework of this paper we have studied the thermal stability of copper clusters in the range of 100 — 150 atoms. The size of the copper nanocluster is determined, which has the greatest thermal stability in the size range under consideration.
V.S. Myasnichenko +4 more
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Electrical analogue of one-dimensional and quasi-one-dimensional Aubry–André–Harper lattices
Scientific Reports, 2023 This work explores the potential for achieving correlated disorder in electrical circuits by utilizing reactive elements. By establishing a direct correspondence between the tight-binding Hamiltonian and the admittance matrix of the circuit, a novel ...
Sudin Ganguly, Santanu K. Maiti
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SOME NEW RESULTS OF MODELING THE PROCESSES OF THE GAS-PHASE SYNTHESIS OF Cu — Au NANOPARTICLES
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2020 Simulation of synthesis of binary Cu — Au nanoclusters from a high-temperature gas medium by the condensation method was carried out by the molecular dynamics method based on the tight-binding potential.
Yu.Ya. Gafner +2 more
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Nuclear Fusion, 2023 In fusion reactor, tungsten (W) has been selected as a candidate for plasma-facing materials due to its excellent properties. However, W-PFMs suffer from helium (He) bubbles where He atoms are produced during deuterium tritium fusion in fusion reactors ...
Zhao-Zhong Fu, Jiong-Rong Wang, B.C. Pan
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Calculation of the surface energy of copper nanowires of different thickness and orientation [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2018 The Monte-Carlo lattice method is used to search for the surface structure of crystalline copper nanowires of various orientations. Fragmentation of 3,3 nm thick wires into individual spherical nanoparticles is observed.
V.S. Myasnichenko +4 more
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