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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
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
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
Study of the interaction of a palladium nanocontact with a hydrogen molecule
The interaction of a palladium nanocontact with a hydrogen molecule has been studied using molecular static method. The influence of impurity on the atomic structure and mechanical properties of the palladium ...
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Article
Molecular dynamics study of the mechanical properties of palladium nanocontacts
The mechanical properties of extended palladium nanocontacts have been investigated by the molecular dynamics method. The characteristic interatomic distances in the contacts have been determined and the proce...
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Article
Simulation of the formation of vacancies upon scanning of Cu(100) surface
The main mechanisms of the formation of vacancies in the first layer of Cu(100) surface have been investigated by the molecular dynamics method. It has been shown that the interaction of the tip of a scanning ...