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29 April 2022 Dynamics of delocalized vibrational modes in bcc W: impact of interatomic potential
Ramil T. Murzaev, Alina Y. Morkina, Ilyas I. Tuvalev
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Proceedings Volume 12193, Laser Physics, Photonic Technologies, and Molecular Modeling; 121930W (2022) https://doi.org/10.1117/12.2626369
Event: XXV Annual Conference Saratov Fall Meeting 2021; and IX Symposium on Optics and Biophotonics, 2021, Saratov, Russian Federation
Abstract
In the bcc W, the simulation of oscillations was carried out according to the patterns of nonlinear delocalized vibrational modes - exact solutions of the equations of motion of atoms, the geometry of which is determined by the symmetry of the lattice. Two-dimensional cases of vibrations in one of the close-packed planes and three-dimensional cases, where the motions of atoms have three components in space, were considered. The amplitude-frequency characteristics (AFC) of these modes were calculated for several interatomic potentials available in the LAMMPS library.
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Ramil T. Murzaev, Alina Y. Morkina, and Ilyas I. Tuvalev "Dynamics of delocalized vibrational modes in bcc W: impact of interatomic potential", Proc. SPIE 12193, Laser Physics, Photonic Technologies, and Molecular Modeling, 121930W (29 April 2022); https://doi.org/10.1117/12.2626369
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KEYWORDS
Chemical species
Crystals
Modulation
Tungsten
Anisotropy
Crystallography
Metals
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