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dc.contributor.author
Lanzini, Fernando Gabriel
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dc.date.available
2018-09-11T18:18:42Z
dc.date.issued
2017-02
dc.identifier.citation
Lanzini, Fernando Gabriel; Atomic ordering in Cu-Al-Ni: Point approximation and Monte Carlo simulations; Elsevier Science; Computacional Materials Science; 128; 2-2017; 198-206
dc.identifier.issn
0927-0256
dc.identifier.uri
http://hdl.handle.net/11336/59132
dc.description.abstract
Long range ordering in the bcc phase of the Cu-Al-Ni alloy is modelled through the analytical Bragg-Williams approximation and by means of numerical Monte Carlo simulations. The interchange energies that govern the ordering reactions are determined by fits to experimental ordering temperatures. A satisfactory agreement with the experimental data is obtained within both models, using slightly different sets of interchange energies. It is found that ordering in first neighbours is driven by the Ni-Al interactions, whereas the ordering in next nearest neighbours occurs by a reordering of Cu-Al pairs. Monte Carlo simulations enable a reinterpretation of the experimentally observed ordering reactions. Further details of the ordering process, such as the existence of tricritical points as the Ni content is reduced, and the evolution of sublattice occupancies as the ordering proceeds are also discussed: the site occupation probabilities at low temperatures agree with the experimental values.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Atomic Ordering
dc.subject
Cu-Al-Ni
dc.subject
Monte Carlo Simulations
dc.subject.classification
Otras Ciencias Físicas
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dc.subject.classification
Ciencias Físicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Atomic ordering in Cu-Al-Ni: Point approximation and Monte Carlo simulations
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-09-10T13:08:27Z
dc.journal.volume
128
dc.journal.pagination
198-206
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
dc.journal.title
Computacional Materials Science
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.commatsci.2016.11.029
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0927025616305900
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