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FreeDam – A webtool for free-electron laser-induced damage in femtosecond X-ray crystallography
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.ORCID iD: 0000-0002-2076-0918
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
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2018 (English)In: High Energy Density Physics, ISSN 1574-1818, Vol. 26, p. 93-98Article in journal (Refereed) Published
Abstract [en]

Over the last decade X-ray free-electron laser (XFEL) sources have been made available to the scientific community. One of the most successful uses of these new machines has been protein crystallography. When samples are exposed to the intense short X-ray pulses provided by the XFELs, the sample quickly becomes highly ionized and the atomic structure is affected. Here we present a webtool dubbed FreeDam based on non-thermal plasma simulations, for estimation of radiation damage in free-electron laser experiments in terms of ionization, temperatures and atomic displacements. The aim is to make this tool easily accessible to scientists who are planning and performing experiments at XFELs.

Place, publisher, year, edition, pages
2018. Vol. 26, p. 93-98
Keywords [en]
Radiation damage, Non-local thermodynamic equilibrium, X-ray free-electron laser, Serial femtosecond X-ray crystallography
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-345337DOI: 10.1016/j.hedp.2018.02.004ISI: 000428964400014OAI: oai:DiVA.org:uu-345337DiVA, id: diva2:1189057
Funder
Swedish Foundation for Strategic Research , ICA10-0090Swedish Research Council, 20133940The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Swedish National Infrastructure for Computing (SNIC), 2016-7-61Available from: 2018-03-09 Created: 2018-03-09 Last updated: 2018-06-05Bibliographically approved

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Jönsson, OlofÖstlin, ChristoferChapman, HenryTimneanu, NicusorCaleman, Carl

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