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

Result code in 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>

Alternative codes found

RIV/68378271:_____/21:00545323

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10306 - Optics (including laser optics and quantum optics)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

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

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Volume of the periodical

23

Issue of the periodical within the volume

30

Country of publishing house

GB - UNITED KINGDOM

Number of pages

13

Pages from-to

16193-16205

UT code for WoS article

000677456900001

EID of the result in the Scopus database

2-s2.0-85112406452