On structural defect generation induced by thermal fluctuations in materials with a perfect lattice under dynamic loading

The possibility of structural defect generation induced by thermal fluctuations in single cryctals under high-rate deformation is numerically investigated. It is shown that thermal fluctiations can be a reason for structural defect generation and there is a threshold strain value at which zones with local structural changes grow almost abruptlyyesBelgorod State Universit

Computer-aided simulation of gas adsorption processes in nanopores

A computer-aided simulation of the behavior of molecular gas-phase hydrogen in spherical nanopores was accomplished. The calculations were performed within the frame of molecular dynamics. Interaction between hydrogen molecules is described on the basis of adaptive intermolecular reactive empirical bond-order (AIREBO) potential. The interaction of gas with the walls of nanopores was calculated using the Lennard-Jones potential. The paper also contains the calculated distributions of gas density and velocities of molecules for different temperatures and pressures. The paper states that the adsorption properties of gas systems in nanopores can be described by varying the parameters of the potential of interaction with pore walls

Computer-aided simulation of gas adsorption processes in nanopores

A computer-aided simulation of the behavior of molecular gas-phase hydrogen in spherical nanopores was accomplished. The calculations were performed within the frame of molecular dynamics. Interaction between hydrogen molecules is described on the basis of adaptive intermolecular reactive empirical bond-order (AIREBO) potential. The interaction of gas with the walls of nanopores was calculated using the Lennard-Jones potential. The paper also contains the calculated distributions of gas density and velocities of molecules for different temperatures and pressures. The paper states that the adsorption properties of gas systems in nanopores can be described by varying the parameters of the potential of interaction with pore walls

On structural defect generation induced by thermal fluctuations in materials with a perfect lattice under dynamic loading

yesThe possibility of structural defect generation induced by thermal fluctuations in single cryctals under high-rate deformation is numerically investigated. It is shown that thermal fluctiations can be a reason for structural defect generation and there is a threshold strain value at which zones with local structural changes grow almost abruptlyBelgorod State Universit

Molecular-dinamics study of crystal defect formation by the thermal fluctuation mechanism during high-rate deformation

yesIt is shown that thermal fluctuations can lead to a jumplike nucleation of defects in the ideal crystal under high-rate deformation conditions. Features of the defect nucleation via this mechanism are analyzed for various temperatures and loading regimesBelgorod State Universit

Molecular-dinamics study of crystal defect formation by the thermal fluctuation mechanism during high-rate deformation

It is shown that thermal fluctuations can lead to a jumplike nucleation of defects in the ideal crystal under high-rate deformation conditions. Features of the defect nucleation via this mechanism are analyzed for various temperatures and loading regimesyesBelgorod State Universit

Nucleation of structural defects in materials with a perfect crystal lattice by thermal fluctuations under dynamic loading

yesA molecular-dynamic study of nucleation of structural defects in materials with an initially perfect crystal lattice by thermal fluctuations under high strain rates is per-formed. It is shown that thermal fluctuations can generate structural defects. There exists some threshold value of strain at which abrupt growth of regions with local structural changes is observedBelgorod State Universit