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Article
Growth of the Pt/Cu Dendrites on Stepped Cu(111) Surface
The formation of Pt/Cu clusters on a stepped Cu(111) surface has been theoretically investigated using the self-learning kinetic Monte Carlo method. It has been shown that by varying Pt/Cu cluster growth condi...
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Article
Effect of a Dipole–Dipole Interaction on the Time of Magnetization Reversal of Finite-Length Atomic Chains
The magnetization reversal of atomic chains on metal surfaces has been theoretically studied using the analytical method developed earlier and the geodesic nudged elastic band method. The atomic chains can be ...
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Article
Two growth modes of nanostructures near Cu(111) step edges in CoCu and PtCu surface alloys
The formation of CoCu and PtCu alloys on the stepped Cu(111) substrate was simulated. Dendritic and finger-like protrusions grow near the edges of the steps. The shape and the internal structure of the protrus...
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Article
Study of Pt–Cu Nanocontact Formation Processes during the Indentation of a Scanning Tunneling Microscope Tip into a Pt/Cu Surface Alloy by Computer Simulations
The formation of nanocontacts during the indentation of a scanning tunneling microscope (STM) tip into a Pt/Cu surface alloy has been studied by the molecular dynamics method. It has been established that the ...
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Article
Formation of Cu–Pt nanocontacts in STM breaking junction simulations: MD simulations and one-dimensional diffusion model
In this paper, we propose a new theoretical approach that combines classical MD method and a one-dimensional diffusion model. We have shown that our approach allows to extrapolate the results of MD simulations...
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Article
Molecular Dynamics Simulation of Elongation of Copper–Platinum Nanocontacts
The formation of nanocontacts consisting of copper (Cu) and platinum (Pt) atoms at various temperatures (0–300 K), relative concentrations of platinum atoms (0–20%), and elongation directions [100], [110], and...
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Article
Simulation of the Interaction of Graphene with a Copper Surface Using a Modified Morse Potential
A new carbon–copper interaction potential is proposed to simulate the moiré structure of graphene on the copper surface. It is shown that the resulting moiré structure is in qualitative agreement with scanning...
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Article
Electromigration of Small Vacancy Clusters on the (100) Copper Surface
The electromigration of small vacancy islands on the Cu(100) surface has been studied using the self-learning kinetic Monte Carlo method. The dependence of the drift velocity of vacancy clusters on their size,...
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Article
An estimate for the magnetization reversal time of antiferromagnetic chains within the Heisenberg model
Within the Heisenberg model in the presence of uniaxial magnetic anisotropy, formulas are obtained that allow one to estimate both the spontaneous magnetization reversal time of an antiferromagnetic chain and ...
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Article
Low-temperature study of the magnetic properties of finite atomic chains
A simple method for the calculation of the spontaneous remagnetization time and magnetization curves of atomic finite-length ferromagnetic chains at a low temperature within the Heisenberg model has been propo...
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Article
Fe and Co nanostructures embedded into the Cu(100) surface: Self-Organization and magnetic properties
The self-organization and magnetic properties of small iron and cobalt nanostructures embedded into the first layer of a Cu(100) surface are investigated using the self-learning kinetic Monte Carlo method and ...
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Article
Magnetic properties of one-dimensional Au-Co chains on the copper(110) surface
Magnetic properties of cobalt atoms in Au-Co chains on the Cu(110) surface (such as the magnetic moment, magnetic anisotropy energy, and exchange energy) have been calculated in the framework of the density fu...
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Article
Magnetic properties of Fe and Co nanoclusters embedded in the first Cu(100) surface layer
The magnetic anisotropy energies, as well as spin and orbital magnetic moments of the atoms involved in the simplest nanostructures formed due to the self-organization within the first Cu(100) surface layer, a...
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Article
Self-organization of iron-atom nanostructures in the first layer of the (100) copper surface
Mechanisms of the diffusion of surface vacancies and iron atoms in the first layer of the Cu(100) surface have been studied by molecular dynamics and the kinetic Monte Carlo method. The diffusion of embedded a...
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Article
The role of the diffusion of dimers in the formation of Co nanostructures embedded into Cu(100) surface
The formation of embedded Co nanostructures is investigated on the atomic scale by performing self-learning kinetic Monte Carlo simulations. The atomic processes responsible for the formation of small nanostru...
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Article
Simulation of the self-organization of nanocontacts in thin gold films
An efficient method has been developed for simulation of the self-organization of metal nanocontacts obtained by transmission electron microscopy. In the framework of this approach, the basic steps of nanocont...
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Article
Influence of burrowing the atoms on the density of the Fe and Co nanoclusters on the Cu(100) surface
The dependence of the density of the Co and Fe clusters on the Cu(100) surface on the substrate temperature and the deposition flux of the atoms has been studied by the molecular dynamics method and the kineti...
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Article
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Article
Molecular dynamics study of Co-Au and Ag-Au bimetallic atomic chain formation
We report molecular dynamics calculations on the evolution of Co-Au and Ag-Au alloy nanowires stretched along the [100], [110] and [111] crystallographic directions. The strong tendency of chain formation has ...
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Article
Strain relief and Pd island shape evolution on the palladium and palladium hydride (100) surface
The mesoscopic relaxation of small Pd islands on Pd(100) and PdH(100) surfaces is investigated on the atomic scale by performing molecular statics calculations. A strong strain and stress inhomogeneity in isla...