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dc.contributor.author
Pelegrina, Jorge Luis
dc.contributor.author
Gennari, Fabiana Cristina
dc.contributor.author
Condo, Adriana Maria
dc.contributor.author
Fernandez Guillermet, Armando Jorge
dc.date.available
2018-06-22T15:06:39Z
dc.date.issued
2016-12-25
dc.identifier.citation
Pelegrina, Jorge Luis; Gennari, Fabiana Cristina; Condo, Adriana Maria; Fernandez Guillermet, Armando Jorge; Predictive Gibbs-energy approach to crystalline/amorphous relative stability of nanoparticles: Size-effect calculations and experimental test; Elsevier Science Sa; Journal of Alloys and Compounds; 689; 25-12-2016; 161-168
dc.identifier.issn
0925-8388
dc.identifier.uri
http://hdl.handle.net/11336/49631
dc.description.abstract
Ball milling experiments performed in the last decade in various systems opened the question about the stability of crystalline nanoparticles with respect to the same group of atoms but in the amorphous state. The general purpose of the present work is to develop a predictive approach to this problem, and assess its accuracy by confronting thermodynamic calculations with experimental observations on Cu-Zn nanoparticles. The bases of the approach are as follows. First, the present Gibbs energy formalism makes use of the “lattice-stability” concept currently applied in so-called CALPHAD (“Calculation of Phase Diagrams”) modeling work. Second, the enthalpy of formation of the alloy phases is treated in the framework of the Miedema model, with special attention to the parameters for the amorphous phase. Third, the surface contribution to Gibbs energy is accounted for. With the current thermodynamic description, the sizes of the crystalline nanoparticles which are stable with respect to the amorphous are determined by calculation. These predictions are confronted with the minimum size of the nanoparticles generated by subjecting γ-Cu-Zn powders to low-energy milling treatments, which is determined by X-ray diffraction and high-resolution transmission electron microscopy techniques. On this basis, a discussion is reported of the accuracy of the present approach. In particular, the parameters in the Gibbs energy description which crucially affect the agreement between calculations and experiments are highlighted.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science Sa
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Amorphous Phase
dc.subject
Gibbs Energy
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Lattice-Stability
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Mechanical Alloying
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Miedema Model
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Nanoparticles
dc.title
Predictive Gibbs-energy approach to crystalline/amorphous relative stability of nanoparticles: Size-effect calculations and experimental test
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-06-06T21:02:24Z
dc.journal.volume
689
dc.journal.pagination
161-168
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Pelegrina, Jorge Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
dc.description.fil
Fil: Gennari, Fabiana Cristina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
dc.description.fil
Fil: Condo, Adriana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
dc.description.fil
Fil: Fernandez Guillermet, Armando Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
dc.journal.title
Journal of Alloys and Compounds
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0925838816323209
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jallcom.2016.07.284
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