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Molecules
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Chemical Consequences of XUV/X-ray Laser-matter Interactions
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Chemical Consequences of XUV/X-ray Laser-matter Interactions

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: closed (15 October 2022) | Viewed by 5454

Special Issue Editor

Dr. Libor Juha

E-Mail Website
Guest Editor
Department of Radiation and Chemical Physics and the PALS (Prague Asterix Laser System) Research Center, Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Prague, Czech Republic
Interests: various physical and chemical phenomena induced by XUV/x-ray lasers; laser-produced plasmas (incl. laser-plasma chemistry); high-power laser systems

Special Issue Information

Dear Colleagues,

This Special Issue is intended to shed light on chemical changes initiated by extreme ultraviolet, soft X-ray, and X-ray lasers and other sources delivering intense short-wavelength electromagnetic radiation. Starting from a brief history of short-wavelength lasers and early attempts to use them in the molecular sciences, a broad overview of the current status of such research will be provided in the issue to reveal and estimate a potential of these new sources in radiation chemistry, molecular radiation biophysics, and related disciplines of radiation and molecular sciences.     

Dr. Libor Juha
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • extreme ultraviolet laser
  • x-ray laser
  • free-electron laser
  • capillary-discharge laser
  • photo-ionization
  • photo-effect
  • radiation chemistry
  • radiation damage
  • molecular solids
  • atomic, molecular, and cluster beams
  • molecular radiobiology
  • ultra-fast phenomena in molecules

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Published Papers (3 papers)

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Editorial

Jump to: Research

2 pages, 520 KiB  
Editorial
Chemical Consequences of XUV/X-ray Laser-Matter Interactions
by Libor Juha
Molecules 2021, 26(22), 6833; https://doi.org/10.3390/molecules26226833 - 12 Nov 2021
Viewed by 1622
Abstract
The first soft X-ray laser was put into operation in Livermore (CA, USA) more than three decades ago [...] Full article
(This article belongs to the Special Issue Chemical Consequences of XUV/X-ray Laser-matter Interactions)
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Research

Jump to: Editorial

10 pages, 274 KiB  
Article
Tree-Code Based Improvement of Computational Performance of the X-ray-Matter-Interaction Simulation Tool XMDYN
by Michal Stransky, Zoltan Jurek, Robin Santra, Adrian P. Mancuso and Beata Ziaja
Molecules 2022, 27(13), 4206; https://doi.org/10.3390/molecules27134206 - 30 Jun 2022
Cited by 2 | Viewed by 1462
Abstract
In this work, we report on incorporating for the first time tree-algorithm based solvers into the molecular dynamics code, XMDYN. XMDYN was developed to describe the interaction of ultrafast X-ray pulses with atomic assemblies. It is also a part of the simulation platform, [...] Read more.
In this work, we report on incorporating for the first time tree-algorithm based solvers into the molecular dynamics code, XMDYN. XMDYN was developed to describe the interaction of ultrafast X-ray pulses with atomic assemblies. It is also a part of the simulation platform, SIMEX, developed for computational single-particle imaging studies at the SPB/SFX instrument of the European XFEL facility. In order to improve the XMDYN performance, we incorporated the existing tree-algorithm based Coulomb solver, PEPC, into the code, and developed a dedicated tree-algorithm based secondary ionization solver, now also included in the XMDYN code. These extensions enable computationally efficient simulations of X-ray irradiated large atomic assemblies, e.g., large protein systems or viruses that are of strong interest for ultrafast X-ray science. The XMDYN-based preparatory simulations can now guide future single-particle-imaging experiments at the free-electron-laser facility, EuXFEL. Full article
(This article belongs to the Special Issue Chemical Consequences of XUV/X-ray Laser-matter Interactions)
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12 pages, 7392 KiB  
Article
Microscopic Kinetics in Poly(Methyl Methacrylate) Exposed to a Single Ultra-Short XUV/X-ray Laser Pulse
by Nikita Medvedev, Jaromír Chalupský and Libor Juha
Molecules 2021, 26(21), 6701; https://doi.org/10.3390/molecules26216701 - 5 Nov 2021
Cited by 11 | Viewed by 1760
Abstract
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 [...] Read more.
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. Full article
(This article belongs to the Special Issue Chemical Consequences of XUV/X-ray Laser-matter Interactions)
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