Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Ramos, Susana Beatriz | - |
| dc.creator | Deluque Toro, Crispulo Enrique | - |
| dc.creator | Cabeza, Gabriela Fernanda | - |
| dc.creator | Fernandez Guillermet, Armando Jorge | - |
| dc.date | 2015-09-18T18:41:13Z | - |
| dc.date | 2015-09-18T18:41:13Z | - |
| dc.date | 2013-04-10 | - |
| dc.date | 2016-03-30 10:35:44.97925-03 | - |
| dc.date.accessioned | 2019-04-29T15:29:55Z | - |
| dc.date.available | 2019-04-29T15:29:55Z | - |
| dc.date.issued | 2015-09-18T18:41:13Z | - |
| dc.date.issued | 2015-09-18T18:41:13Z | - |
| dc.date.issued | 2013-04-10 | - |
| dc.date.issued | 2016-03-30 10:35:44.97925-03 | - |
| dc.identifier | Ramos, Susana Beatriz; Deluque Toro, Crispulo Enrique; Cabeza, Gabriela Fernanda; Fernandez Guillermet, Armando Jorge; Ab initio study of the cohesive properties, electronic structure and thermodynamic stability of the Ni-In and Ni-Sn intermetallics; Elsevier; Journal of Alloys and Compounds; 576; 10-4-2013; 302-316 | - |
| dc.identifier | 0925-8388 | - |
| dc.identifier | http://hdl.handle.net/11336/2006 | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/295221 | - |
| dc.description | A comprehensive study of the structural, cohesive and electronic properties of several stable, metastable and non-stable intermetallic phases (IPs) of the Ni–In and Ni–Sn systems have been performed by ab initio density-funcional-theory (DFT) methods. Using the projector augmented wave method we have performed systematic spin polarized calculations with the exchange and correlation functions of Perdew and Wang in the generalized gradient approximation (GGA), as well as those by Ceperley and Alder in the local-density-approximation (LDA). Structural properties, the energy-of-formation (EOF) from the elements and the cohesive properties of the various phases have been established by minimizing the internal structural parameters. We present trends at 0 K in the composition dependence of the molar volumen, bulk modulus and its pressure derivative, electronic density of states, magnetic moments and the EOF of several stable and metastable IPs reported in the Ni–In and Ni–Sn systems as well as various non-stable (hypothetical) compounds which are relevant in connection with the thermodynamic analysis of the Ni–In and Ni–Sn systems using Gibbs energy models and the so-called CALPHAD techniques. The results are compared with the available experimental data and with previously reported theoretical results. The present study of the thermodynamic and cohesive properties of Ni–In/Sn intermetallic phases should contribute to the understanding of the phase-stability systematics in the Ni–In–Sn system and the design of new soldering alloys. | - |
| dc.description | Fil: Ramos, Susana Beatriz. Universidad Nacional del Comahue. Facultad de Ingeniería. Departamento de Física; Argentina; Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Patagonia Norte; Argentina; | - |
| dc.description | Fil: Deluque Toro, Crispulo Enrique. Universidad Nacional del Comahue. Facultad de Ingeniería. Departamento de Física; Argentina; | - |
| dc.description | Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Universidad Nacional del Sur. Departamento de Física; Argentina; | - |
| dc.description | Fil: Fernandez Guillermet, Armando Jorge. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina; Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Patagonia Norte; Argentina; | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0925838813005781 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jallcom.2013.03.047 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/2006 | - |
| dc.subject | Ab initio calculations | - |
| dc.subject | Ni-In and Ni-Sn alloys | - |
| dc.subject | Thermodynamics properties | - |
| dc.subject | Termodinámica | - |
| dc.subject | Ingeniería Mecánica | - |
| dc.subject | INGENIERÍAS Y TECNOLOGÍAS | - |
| dc.subject | Física de los Materiales Condensados | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Ab initio study of the cohesive properties, electronic structure and thermodynamic stability of the Ni-In and Ni-Sn intermetallics | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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