Numerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Model

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dc.date.accessioned2020-01-13T09:42:45Z
dc.date.available2020-01-13T09:42:45Z
dc.date.issued2019-12-24
dc.description.sponsorshipGefördert durch den Publikationsfonds der Universität Kasselger
dc.identifierdoi:10.17170/kobra-20200110911
dc.identifier.urihttp://hdl.handle.net/123456789/11412
dc.language.isoengeng
dc.relation.doidoi:10.3390/molecules25010067
dc.rightsUrheberrechtlich geschützt
dc.rights.urihttps://rightsstatements.org/page/InC/1.0/
dc.subjectpulsed laser ablation in liquidseng
dc.subjectfemtosecond laser ablationeng
dc.subjectdual nanoparticle distributioneng
dc.subjectmetal nanoparticleseng
dc.subject.ddc530
dc.titleNumerical Investigation of Ultrashort Laser-Ablative Synthesis of Metal Nanoparticles in Liquids Using the Atomistic-Continuum Modeleng
dc.typeAufsatz
dc.type.versionpublishedVersion
dcterms.abstractWe present a framework based on the atomistic continuum model, combining the Molecular Dynamics (MD) and Two Temperature Model (TTM) approaches, to characterize the growth of metal nanoparticles (NPs) under ultrashort laser ablation from a solid target in water ambient. The model is capable of addressing the kinetics of fast non-equilibrium laser-induced phase transition processes at atomic resolution, while in continuum it accounts for the effect of free carriers, playing a determinant role during short laser pulse interaction processes with metals. The results of our simulations clarify possible mechanisms, which can be responsible for the observed experimental data, including the presence of two populations of NPs, having a small (5–15 nm) and larger (tens of nm) mean size. The formed NPs are of importance for a variety of applications in energy, catalysis and healthcare.eng
dcterms.accessRightsopen access
dcterms.creatorIvanov, Dmitry S.
dcterms.creatorIzgin, Thomas
dcterms.creatorMaiorov, Alexey N.
dcterms.creatorVeiko, Vadim P.
dcterms.creatorRethfeld, Baerbel
dcterms.creatorDombrovska, Yaroslava I.
dcterms.creatorGarcia, Martin E.
dcterms.creatorZavestovskaya, Irina N.
dcterms.creatorKlimentov, Sergey M.
dcterms.creatorKabashin, Andrei V.
dcterms.source.identifierISSN 1420-3049
dcterms.source.issueIssue 1
dcterms.source.journalMoleculeseng
dcterms.source.pageinfo67
dcterms.source.volumeVolume 25

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