An interplay of various damage channels in polyethylene exposed to ultra-short XUV/X-ray pulses

0545323 - FZÚ 2022 RIV GB eng J - Článek v odborném periodiku
Medvedev, Nikita - Babaev, P. - Chalupský, Jaromír - Juha, Libor - Volkov, A.E.
An interplay of various damage channels in polyethylene exposed to ultra-short XUV/X-ray pulses.
Physical Chemistry Chemical Physics. Roč. 23, č. 30 (2021), s. 16193-16205. ISSN 1463-9076. E-ISSN 1463-9084
Grant CEP: GA MŠMT LTT17015; GA MŠMT(CZ) LM2018114; GA ČR(CZ) GA20-08452S
GRANT EU: European Commission(XE) 654148 - LASERLAB-EUROPE
Výzkumná infrastruktura: e-INFRA CZ - 90140
Institucionální podpora: RVO:68378271
Klíčová slova: polyethylene damage mechanism * exposition to ultra-short XUV/X-ray pulses * theoretical study
Obor OECD: Particles and field physics
Impakt faktor: 3.945, rok: 2021
Způsob publikování: Omezený přístup
https://doi.org/10.1039/d1cp02199k

Polyethylene (PE) irradiated with femtosecond extreme ultraviolet or X-ray laser pulses in a single-shot damage regime is studied theoretically. The employed microscopic simulation tool XTANT-3 traces nonequilibrium electron kinetics, energy exchange between electrons and atoms, nonthermal modification of interatomic potential, and the induced atomic response. It is found that the nonthermal detachment of hydrogen atoms in bulk PE starts at the threshold deposited dose of 0.05 eV per atom. With an increase in the dose, more hydrogen atoms detach from the carbon backbone. At a dose of 0.3 eV per atom, hydrogen behaves like a liquid flowing around carbon chains. In the range of doses from 0.5 eV to 0.9 eV per atom, the electronic excitation induces formation of new carbon structures embedded in the hydrogen liquid, such as benzene-like rings. At doses above 0.9 eV per atom, the carbon subsystem also melts into liquid.

Trvalý link: http://hdl.handle.net/11104/0322047