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Temperature induced disorder in β-Zr

Authordc.contributor.authorGutiérrez Gallardo, Gonzalo 
Authordc.contributor.authorKiwi Tichauer, Miguel 
Authordc.contributor.authorRamírez, Ricardo 
Cita de ítemdc.identifier.citationRevista Mexicana de Fisica, Volumen 44, Issue SUPPL.1, 2018, Pages 62-65
Abstractdc.description.abstractThe behavior of free surfaces and of grain boundaries of a bcc Zr system, close to the melting temperature, are investigated using molecular dynamics in combination with a tight-binding potential. Our system consists in more than 5000 atoms and the potential incorporates both two- and many-body terms. The evolution of the disordering sequence, as the temperature increases, is studied quantitatively and illustrated graphically. We find that a progressive disordering process takes place, both at the free surfaces and at the grain boundary, as the melting point is approached. For these two cases the process turns out to be quite similar.
Publisherdc.publisherSociedad Mexicana de Fisica
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
Link to Licensedc.rights.uri
Sourcedc.sourceRevista Mexicana de Fisica
Keywordsdc.subjectGrain boundary
Keywordsdc.subjectMolecular dynamics
Keywordsdc.subjectSurface melting
Títulodc.titleTemperature induced disorder in β-Zr
Document typedc.typeArtículo de revista
Indexationuchile.indexArtículo de publicación SCOPUS

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Attribution-NonCommercial-NoDerivs 3.0 Chile
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile