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%2F68378271%3A_____%2F21%3A00545323" target="_blank" >RIV/68378271:_____/21:00545323 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389021:_____/21:00579467

Výsledek na webu

<a href="https://doi.org/10.1039/d1cp02199k" target="_blank" >https://doi.org/10.1039/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. 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.n

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. 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.n

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10303 - Particles and field physics

Projekt

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

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

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