Damage Mechanisms in Polyalkenes Irradiated with Ultrashort XUV/X-Ray Laser Pulses

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F24%3A00617256" target="_blank" >RIV/61389021:_____/24:00617256 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/24:00598519 RIV/68407700:21340/24:00382756

Result on the web

<a href="https://pubs.acs.org/doi/10.1021/acs.jpcb.4c04126" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcb.4c04126</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcb.4c04126" target="_blank" >10.1021/acs.jpcb.4c04126</a>

Result language

angličtina

Original language name

Damage Mechanisms in Polyalkenes Irradiated with Ultrashort XUV/X-Ray Laser Pulses

Original language description

Although polymers are widely used in laser-irradiation research, their microscopic response to high-intensity ultrafast XUV and X-ray irradiation is still largely unknown. Here, we comparatively study a homologous series of alkenes. The 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 detachments from the backbone, or polymer strand cross-linking. At higher doses, the disintegration of the molecules leads to a transient metallic liquid state: a nonequilibrium superionic state outside of the material phase diagram. We identify nonthermal effects as the leading mechanism of damage, whereas the thermal (nonadiabatic electron-ion coupling) channel influences the kinetics only slightly in the case of femtosecond-pulse irradiation. Despite the 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.

Czech name

—

Czech description

—

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

<a href="/en/project/LM2023068" target="_blank" >LM2023068: Prague Asterix Laser System</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

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

Name of the periodical

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

1520-5207

Volume of the periodical

128

Issue of the periodical within the volume

37

Country of publishing house

US - UNITED STATES

Number of pages

7

Pages from-to

9036-9042

UT code for WoS article

001308703400001

EID of the result in the Scopus database

2-s2.0-85203273345