Publicación:
Calculation of the formation entropy and diffusivity constants for the vacancy in Mg

cnea.tipodocumentoARTÍCULO CIENTÍFICO
dc.contributor.authorMonti, Ana María
dc.contributor.authorSavino, Eduardo J.
dc.date.accessioned2022-10-20T14:48:36Z
dc.date.issued1981
dc.description.abstractBy assuming a pair interatomic potential which reproduces some Mg properties, we calculate the formation entropy for a vacancy in an hep lattice. A value of that entropy between 1.5 and 2k is obtained at variance with previous experimental findings which favor a very small value. By a quasistatic computer-simulation approach the migration energies for the yacancy on different lattice directions are also calculated; two different potentials are used for this calculation. Subsequently migration entropies and diffusivities are evaluated. A good agreement with reported experimental values is obtained. Diffusion in hep structures is space anisotropic, and the relative influence on this anisotropy of the migration energy with respect to the entropy is discussed.
dc.description.institutionalaffiliationFil: Monti, Ana María Comisión Nacional de Energía Atómica; Argentina
dc.description.institutionalaffiliationSavino, Eduardo J. Comisión Nacional de Energía Atómica; Argentina
dc.format.extent6494-6502 p.
dc.identifier.cnea01.81.10
dc.identifier.urihttps://nuclea.cnea.gob.ar/handle/20.500.12553/2128
dc.language.ISO639-3eng
dc.relation.ispartofPhysical Review B Vol 23 (1981)
dc.rights.licenseinfo:eu-repo/semantics/openAccess
dc.subject.keywordENTROPY
dc.subject.keywordENTROPIA
dc.subject.keywordSIMULACION COMPUTERIZADA
dc.subject.keywordCOMPUTERIZED SIMULATION
dc.subject.keywordDIFFUSION
dc.subject.keywordDIFUSION
dc.titleCalculation of the formation entropy and diffusivity constants for the vacancy in Mg
dc.typeARTÍCULO
dc.type.versionVersión publicada
dspace.entity.typePublication

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