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Theoretical Studies of Anisotropic Melting of Ice Induced by Ultrafast Nonthermal Heating
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden; European XFEL, Holzkoppel 4, DE-22869 Schenefeld, Germany.
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden.
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden.
KTH, School of Engineering Sciences (SCI), Applied Physics.ORCID iD: 0000-0002-2076-0918
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2024 (English)In: ACS Physical Chemistry Au, E-ISSN 2694-2445, Vol. 4, no 4, p. 385-392Article in journal (Refereed) Published
Abstract [en]

Water and ice are routinely studied with X-rays to reveal their diverse structures and anomalous properties. We employ a hybrid collisional-radiative/molecular-dynamics method to explore how femtosecond X-ray pulses interact with hexagonal ice. We find that ice makes a phase transition into a crystalline plasma where its initial structure is maintained up to tens of femtoseconds. The ultrafast melting process occurs anisotropically, where different geometric configurations of the structure melt on different time scales. The transient state and anisotropic melting of crystals can be captured by X-ray diffraction, which impacts any study of crystalline structures probed by femtosecond X-ray lasers.

Place, publisher, year, edition, pages
American Chemical Society (ACS) , 2024. Vol. 4, no 4, p. 385-392
Keywords [en]
coherent diffractive imaging, molecular dynamics, nonthermal melting, plasma simulations, ultrafast dynamics, X-ray free-electron laser
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:kth:diva-366446DOI: 10.1021/acsphyschemau.3c00072ISI: 001225154400001PubMedID: 39069981Scopus ID: 2-s2.0-85192824558OAI: oai:DiVA.org:kth-366446DiVA, id: diva2:1982443
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QC 20250708

Available from: 2025-07-08 Created: 2025-07-08 Last updated: 2025-07-08Bibliographically approved

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Jönsson, H. OlofSellberg, Jonas A.

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