Stopping power beyond the adiabatic approximation

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dc.contributor.authorCaro, M.en
dc.contributor.authorCorrea, A. A.en
dc.contributor.authorArtacho, E.en
dc.contributor.authorCaro, A.en
dc.contributor.departmentMechanical Engineeringen
dc.date.accessioned2019-01-08T15:53:30Zen
dc.date.available2019-01-08T15:53:30Zen
dc.date.issued2017-06-01en
dc.description.abstractEnergetic ions traveling in solids deposit energy in a variety of ways, being nuclear and electronic stopping the two avenues in which dissipation is usually treated. This separation between electrons and ions relies on the adiabatic approximation in which ions interact via forces derived from the instantaneous electronic ground state. In a more detailed view, in which non-adiabatic effects are explicitly considered, electronic excitations alter the atomic bonding, which translates into changes in the interatomic forces. In this work, we use time dependent density functional theory and forces derived from the equations of Ehrenfest dynamics that depend instantaneously on the time-dependent electronic density. With them we analyze how the inter-ionic forces are affected by electronic excitations in a model of a Ni projectile interacting with a Ni target, a metallic system with strong electronic stopping and shallow core level states. We find that the electronic excitations induce substantial modifications to the inter-ionic forces, which translate into nuclear stopping power well above the adiabatic prediction. In particular, we observe that most of the alteration of the adiabatic potential in early times comes from the ionization of the core levels of the target ions, not readily screened by the valence electrons.en
dc.description.notesWork performed by M.C., A.A.C., and A.C. was supported as part of the Energy Dissipation to Defect Evolution Center (EDDE), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Basic Energy Sciences (Award Number 2014ORNL1026). E.A. acknowledges financial support from European Commission through the Electron Stopping grant within the Marie Curie CIG program. This research used resources provided by the LANL Institutional Computing Program. LANL, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US DOE under contract DE-AC52-06NA25396. Work by A.A.C. performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and acknowledges computing support from the Lawrence Livermore National Laboratory Institutional Computing Grand Challenge program. A.C. acknowledges hospitality and financial support from Donostia International Physics Center, 20018 Donostia-San Sebastian, Spain, and CIC nanoGUNE, 20018 Donostia-San Sebastian, Spain. A.C. acknowledges fruitful discussions with J. Ferron.en
dc.description.sponsorshipEnergy Dissipation to Defect Evolution Center (EDDE), Energy Frontier Research Center - US Department of Energy, Office of Science, Basic Energy Sciences [2014ORNL1026]; European Commission through the Electron Stopping grant within the Marie Curie CIG program; US DOE [DE-AC52-06NA25396]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Donostia International Physics Center, Donostia-San Sebastian, Spain [20018]; CIC nanoGUNE, Donostia-San Sebastian, Spain [20018]en
dc.format.extent10en
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.1038/s41598-017-02780-3en
dc.identifier.issn2045-2322en
dc.identifier.other2618en
dc.identifier.pmid28572681en
dc.identifier.urihttp://hdl.handle.net/10919/86638en
dc.identifier.volume7en
dc.language.isoen_USen
dc.publisherSpringer Natureen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.subjectcondensed matteren
dc.subjectenergy-lossen
dc.subjectexcitationen
dc.subjectsystemsen
dc.subjectdynamicsen
dc.subjectionsen
dc.titleStopping power beyond the adiabatic approximationen
dc.title.serialScientific Reportsen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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