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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  
dc.subject
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