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N. Nikishev

Publications and source records attributed to N. Nikishev.

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Transient superionic state in ultrafast-irradiated post-transition metal oxides

Matter under irradiation may enter unusual transient states, outside of its equilibrium phase diagram. One of such states is a superionic-like state, in which one sublattice of a compound liquifies, whereas another one remains solid. Here, we study theoretically post-transition metal oxides under ultrafast excitation of its electronic system, identifying which compounds produce such a superionic state. It is shown that oxides with sufficiently sparce metallic sublattices (e.g. corundum structure) generally form transient superionic states via nonthermal phase transition. More closely packed lattices (such as the zinc-blend structure in ZnO and CdO) do not exhibit superionicity. Tl and Pb oxides only enter thermally-produced superionic states (induced by the atomic heating via electron-phonon coupling), but not nonthermal ones. Sn and Bi oxides demonstrate states that cannot be clearly classified, in which oxygen subsystem diffuses significantly more and faster than the metallic one, but the metallic one is not stable as it would be in a truly superionic state.

cond-mat.other

Damage mechanisms in polyalkenes irradiated with ultra-short XUV/x-ray laser pulses

Although polymers are widely used in laser-irradiation research, their microscopic response to high-intensity ultrafast XUV or X-ray irradiation is still largely unknown. Here we comparatively study homologous series of alkenes. XTANT-3 hybrid simulation toolkit is used to determine their damage kinetics and irradiation threshold doses. The code simultaneously models the nonequilibrium electron kinetics, the energy transfer between electrons and atoms via nonadiabatic electron-ion (electron-phonon) coupling, nonthermal modification of the interatomic potential due to electronic excitation, and the ensuing atomic response and damage formation. It is shown that the lowest damage threshold is associated with local defect creation such as dehydrogenation, various group detachment from the backbone, or polymer strand cross-linking. At higher doses, the disintegration of the molecules leads to a transient metallic liquid state. We identify nonthermal effects as the leading mechanism of damage, whereas the thermal (electron-ion coupling) channel influences the kinetics only slightly in the case of femtosecond-pulse irradiation. Despite notably different properties of the studied alkene polymers, the ultrafast-X-ray damage threshold doses are found to be very close to ~0.05 eV/atom in all three materials: polyethylene, polypropylene, and polybutylene.

cond-mat.mtrl-sci