PublicaciĂłn:
INTERFACIAL PROPERTIES AND CRYSTAL GROWTH OF NI AND NI50AL50 FROM MOLECULAR DYNAMICS SIMULATIONS

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dc.creatorROBERTO EDUARDO ROZAS CÁRDENAS
dc.date2023
dc.date.accessioned2025-01-10T15:38:52Z
dc.date.available2025-01-10T15:38:52Z
dc.date.issued2023
dc.description.abstractMOLECULAR DYNAMICS SIMULATIONS ARE USED TO DETERMINE THE PROPERTIES OF THE CRYSTAL?LIQUID INTERFACES OF NI AND NI50AL50. THE INTERFACIAL FREE ENERGIES AND KINETIC GROWTH COEFFICIENTS FOR DIFFERENT CRYSTAL ORIENTATIONS ARE ESTIMATED USING SIMULATIONS OF CRYSTAL?LIQUID SYSTEMS AT THE MELTING TEMPERATURE TM FROM TIME- AND WAVENUMBER-DEPENDENT CAPILLARY WAVE HEIGHT?HEIGHT CORRELATION FUNCTIONS. GROWTH COEFFICIENTS ARE ALSO DETERMINED FROM NON-EQUILIBRIUM SIMULATIONS USING THE FREE SOLIDIFICATION METHOD, WHICH COMPARES WELL WITH THOSE OBTAINED FROM ANALYSIS OF CAPILLARY WAVE FLUCTUATIONS. CRYSTAL GROWTH IN PURE NI IS ABOUT A FACTOR OF 10 FASTER THAN IN THE BINARY NI50AL50 SYSTEM. THE INTERFACIAL PROPERTIES OF THE B2 INTERMETALLIC CRYSTAL PHASE OF NI50AL50 EXHIBIT MUCH LOWER ANISOTROPY THAN THOSE OF THE FACE-CENTERED CUBIC CRYSTALLINE STRUCTURE OF NI.
dc.formatapplication/pdf
dc.identifier.doi/10.1063/5.0143431
dc.identifier.issn1089-7550
dc.identifier.issn0021-8979
dc.identifier.urihttps://repositorio.ubiobio.cl/handle/123456789/13002
dc.languagespa
dc.publisherJOURNAL OF APPLIED PHYSICS
dc.relation.uri/10.1063/5.0143431
dc.rightsPUBLICADA
dc.subjectSolidification process
dc.subjectMolecular dynamics
dc.subjectLiquid solid interfaces
dc.subjectInterfacial properties
dc.subjectComputer simulation
dc.subjectCapillary waves
dc.subjectAlloys
dc.titleINTERFACIAL PROPERTIES AND CRYSTAL GROWTH OF NI AND NI50AL50 FROM MOLECULAR DYNAMICS SIMULATIONS
dc.typeARTÍCULO
dspace.entity.typePublication
ubb.EstadoPUBLICADA
ubb.Otra ReparticionDEPARTAMENTO DE FISICA
ubb.SedeCONCEPCIÓN
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