Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse

We study the behavior of poly(methyl methacrylate) (PMMA) exposed to femtosecond pulses of extreme ultraviolet and X-ray laser radiation in the single-shot damage regime. The employed microscopic simulation traces induced electron cascades, the thermal energy exchange of electrons with atoms, nonthe...

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Autores principales:	Nikita Medvedev, Jaromír Chalupský, Libor Juha
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	PMMA free-electron laser ablation nonthermal melting band gap collapse Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/293cb66969874186b922b2224b0bf118
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spelling	oai:doaj.org-article:293cb66969874186b922b2224b0bf1182021-11-11T18:39:06ZMicroscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse10.3390/molecules262167011420-3049https://doaj.org/article/293cb66969874186b922b2224b0bf1182021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6701https://doaj.org/toc/1420-3049We study the behavior of poly(methyl methacrylate) (PMMA) exposed to femtosecond pulses of extreme ultraviolet and X-ray laser radiation in the single-shot damage regime. The employed microscopic simulation traces induced electron cascades, the thermal energy exchange of electrons with atoms, nonthermal modification of the interatomic potential, and a triggered atomic response. We identify that the nonthermal hydrogen decoupling triggers ultrafast fragmentation of PMMA strains at the absorbed threshold dose of ~0.07 eV/atom. At higher doses, more hydrogen atoms detach from their parental molecules, which, at the dose of ~0.5 eV/atom, leads to a complete separation of hydrogens from carbon and oxygen atoms and fragmentation of MMA molecules. At the dose of ~0.7 eV/atom, the band gap completely collapses indicating that a metallic liquid is formed with complete atomic disorder. An estimated single-shot ablation threshold and a crater depth as functions of fluence agree well with the experimental data collected.Nikita MedvedevJaromír ChalupskýLibor JuhaMDPI AGarticlePMMAfree-electron laserablationnonthermal meltingband gap collapseOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6701, p 6701 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	PMMA free-electron laser ablation nonthermal melting band gap collapse Organic chemistry QD241-441
spellingShingle	PMMA free-electron laser ablation nonthermal melting band gap collapse Organic chemistry QD241-441 Nikita Medvedev Jaromír Chalupský Libor Juha Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
description	We study the behavior of poly(methyl methacrylate) (PMMA) exposed to femtosecond pulses of extreme ultraviolet and X-ray laser radiation in the single-shot damage regime. The employed microscopic simulation traces induced electron cascades, the thermal energy exchange of electrons with atoms, nonthermal modification of the interatomic potential, and a triggered atomic response. We identify that the nonthermal hydrogen decoupling triggers ultrafast fragmentation of PMMA strains at the absorbed threshold dose of ~0.07 eV/atom. At higher doses, more hydrogen atoms detach from their parental molecules, which, at the dose of ~0.5 eV/atom, leads to a complete separation of hydrogens from carbon and oxygen atoms and fragmentation of MMA molecules. At the dose of ~0.7 eV/atom, the band gap completely collapses indicating that a metallic liquid is formed with complete atomic disorder. An estimated single-shot ablation threshold and a crater depth as functions of fluence agree well with the experimental data collected.
format	article
author	Nikita Medvedev Jaromír Chalupský Libor Juha
author_facet	Nikita Medvedev Jaromír Chalupský Libor Juha
author_sort	Nikita Medvedev
title	Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
title_short	Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
title_full	Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
title_fullStr	Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
title_full_unstemmed	Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
title_sort	microscopic kinetics in poly(methyl methacrylate) exposed to a single ultra-short xuv/x-ray laser pulse
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/293cb66969874186b922b2224b0bf118
work_keys_str_mv	AT nikitamedvedev microscopickineticsinpolymethylmethacrylateexposedtoasingleultrashortxuvxraylaserpulse AT jaromirchalupsky microscopickineticsinpolymethylmethacrylateexposedtoasingleultrashortxuvxraylaserpulse AT liborjuha microscopickineticsinpolymethylmethacrylateexposedtoasingleultrashortxuvxraylaserpulse
_version_	1718431751921991680

Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse

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