Crystallization induced by multiple seeds: Dynamical density functional approach

DC FieldValueLanguage
dc.contributor.authorNeuhaus, T.
dc.contributor.authorSchmiedeberg, M.
dc.contributor.authorLoewen, H.
dc.date.accessioned2021-12-23T16:07:55Z-
dc.date.available2021-12-23T16:07:55Z-
dc.date.issued2013
dc.identifier.issn15393755
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/8129-
dc.description.abstractUsing microscopic dynamical density functional theory, we calculate the dynamical formation of polycrystals by following the crystal growth around multiple crystalline seeds imposed to an undercooled fluid. Depending on the undercooling and the size ratio as well as the relative crystal orientation of two neighboring seeds, three possibilities of the final state emerge, namely no crystallization at all, formation of a monocrystal, or two crystallites separated by a curved grain boundary. Our results, which are obtained for two-dimensional hard disk systems using a fundamental-measure density functional, shed new light on the particle-resolved structure and growth of polycrystalline material in general.
dc.description.sponsorshipDFGGerman Research Foundation (DFG)European Commission [SPP 1296]; We thank M. Oettel for helpful discussions. This work was supported by the DFG via SPP 1296. M.S. also acknowledges support by the DFG within the Emmy-Noether program.
dc.language.isoen
dc.publisherAMER PHYSICAL SOC
dc.relation.ispartofPHYSICAL REVIEW E
dc.subjectCOLLOID-POLYMER MIXTURE
dc.subjectDIMENSIONS
dc.subjectFLUIDS
dc.subjectGROWTH
dc.subjectINTERFACE
dc.subjectKINETICS
dc.subjectMODEL
dc.subjectNUCLEATION
dc.subjectPHASE
dc.subjectPhysics
dc.subjectPhysics, Fluids & Plasmas
dc.subjectPhysics, Mathematical
dc.subjectSPHERES
dc.titleCrystallization induced by multiple seeds: Dynamical density functional approach
dc.typejournal article
dc.identifier.doi10.1103/PhysRevE.88.062316
dc.identifier.isiISI:000332150400004
dc.description.volume88
dc.description.issue6
dc.contributor.orcid0000-0001-7833-4906
dc.contributor.orcid0000-0001-5376-8062
dc.contributor.orcid0000-0001-7833-4906
dc.contributor.researcheridABG-5677-2020
dc.contributor.researcheridK-9999-2016
dc.contributor.researcheridB-5256-2016
dc.identifier.eissn15502376
dc.publisher.placeONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
dcterms.isPartOf.abbreviationPhys. Rev. E
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