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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F21%3A00579467" target="_blank" >RIV/61389021:_____/21:00579467 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/21:00545323

Výsledek na webu

<a href="https://pubs.rsc.org/en/content/articlelanding/2021/CP/D1CP02199K" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2021/CP/D1CP02199K</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d1cp02199k" target="_blank" >10.1039/d1cp02199k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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. It is accompanied by the appearance of defect energy levels within the band gap. At a dose of ∼0.5 eV per atom, carbon chains actively bend and cross-link. In the range of doses from ∼0.5 eV per atom 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. The band gap collapses at such doses, merging the valence and the conduction bands. Finally, at doses above ∼0.9 eV per atom, the carbon subsystem also melts into liquid. All of these damage mechanisms are mainly nonthermal, triggered by promotion of electrons from the valence into the conduction band of PE. At high doses, however, thermal electron-ion coupling is extremely fast causing equilibration of the electronic and the ionic temperatures within a hundred femtoseconds.

Název v anglickém jazyce

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

Popis výsledku anglicky

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. It is accompanied by the appearance of defect energy levels within the band gap. At a dose of ∼0.5 eV per atom, carbon chains actively bend and cross-link. In the range of doses from ∼0.5 eV per atom 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. The band gap collapses at such doses, merging the valence and the conduction bands. Finally, at doses above ∼0.9 eV per atom, the carbon subsystem also melts into liquid. All of these damage mechanisms are mainly nonthermal, triggered by promotion of electrons from the valence into the conduction band of PE. At high doses, however, thermal electron-ion coupling is extremely fast causing equilibration of the electronic and the ionic temperatures within a hundred femtoseconds.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10306 - Optics (including laser optics and quantum optics)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Svazek periodika

23

Číslo periodika v rámci svazku

30

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

16193-16205

Kód UT WoS článku

000677456900001

EID výsledku v databázi Scopus

2-s2.0-85112406452