Thermal expansion and third order elastic constants of FCC metals
In this paper we develop the necessary expressions to evaluate third order elastic constants and temperature dependence of the thermal expansion of FCC metals. For this we use a previously proposed interatomic potential that can be expressed as a sum of two and three body force independent contribut...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
1993
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| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| LEADER | 03922caa a22005057a 4500 | ||
|---|---|---|---|
| 001 | PAPER-238 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518202937.0 | ||
| 008 | 190411s1993 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-43949169408 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 100 | 1 | |a Barrera, G.D. | |
| 245 | 1 | 0 | |a Thermal expansion and third order elastic constants of FCC metals |
| 260 | |c 1993 | ||
| 270 | 1 | 0 | |m Barrera, G.D.; Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Dipartamento Química Inorgánica, Pab. 2 Ciudad Universitaria, 1428 Buenos Aires, Argentina |
| 506 | |2 openaire |e Política editorial | ||
| 504 | |a Barrera, Batana, (1992) Comput. Chem., 16, p. 303 | ||
| 504 | |a Barron, Gibbons, (1974) J. Phys. C, 7, p. 3260 | ||
| 504 | |a Barron, Collins, White, (1980) Adv. Phys., 29, p. 609 | ||
| 504 | |a Batana, Monard, Soriano, (1987) Comp. Phys. Commun., 43, p. 399 | ||
| 504 | |a Batana, Andrade, Gómez, (1991) Comput. Chem., 15, p. 179 | ||
| 504 | |a Daniels, Smith, (1958) Phys. Rev., 111, p. 713 | ||
| 504 | |a Hiki, Granato, (1966) Phys. Rev., 144, p. 411 | ||
| 504 | |a Lynn, Smith, Nicklow, (1973) Phys. Rev. B, 8, p. 3493 | ||
| 504 | |a Overton, Gaffney, Temperature Variation of the Elastic Constants of Cubic Elements. I. Copper (1955) Physical Review, 95, p. 969 | ||
| 504 | |a Quimby, Sutton, (1953) Phys. Rev., 91, p. 1122 | ||
| 504 | |a Scheuele, Smith, Low temperature thermal expansion of RbI (1964) Journal of Physics and Chemistry of Solids, 25, p. 801 | ||
| 504 | |a Srinivasan, Rao, (1972) J. Phys. Chem. Sol., 33, p. 491 | ||
| 504 | |a Thurston, Ultrasonic data and the thermodynamics of solids (1965) Proceedings of the IEEE, 53 (10), p. 1320 | ||
| 504 | |a Zoli, (1990) Phys. Rev. B, 41, p. 7497 | ||
| 504 | |a Zoli, Santoro, Bortolani, Maradudin, Wallis, (1990) Phys. Rev. B, 41, p. 7507 | ||
| 520 | 3 | |a In this paper we develop the necessary expressions to evaluate third order elastic constants and temperature dependence of the thermal expansion of FCC metals. For this we use a previously proposed interatomic potential that can be expressed as a sum of two and three body force independent contributions. The very low temperature limit of the thermal expansion is also calculated using the continuum model. To do all the numerical calculations we write several FORTRAN programs. The necessary subroutines are grouped in several modules to allow maximum portability. We illustrate the usefulness of the programs by their application to gold. © 1993. |l eng | |
| 536 | |a Detalles de la financiación: Universidad de Buenos Aires | ||
| 536 | |a Detalles de la financiación: Consejo Nacional de Investigaciones Científicas y Técnicas | ||
| 536 | |a Detalles de la financiación: Acknowledgements-The authors gratefully acknowledge the financial assistance of the Universidad de Buenos Aires and of CONICET, Argentina. | ||
| 593 | |a Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Dipartamento Química Inorgánica, Pab. 2 Ciudad Universitaria, 1428 Buenos Aires, Argentina | ||
| 700 | 1 | |a Batana, A. | |
| 773 | 0 | |d 1993 |g v. 17 |h pp. 83-90 |k n. 1 |p Comput. Chem. |x 00978485 |w (AR-BaUEN)CENRE-1040 |t Computers and Chemistry | |
| 856 | 4 | 1 | |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-43949169408&doi=10.1016%2f0097-8485%2893%2980033-A&partnerID=40&md5=03b3863e0e45894069c358f4c7a74b07 |y Registro en Scopus |
| 856 | 4 | 0 | |u https://doi.org/10.1016/0097-8485(93)80033-A |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00978485_v17_n1_p83_Barrera |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00978485_v17_n1_p83_Barrera |y Registro en la Biblioteca Digital |
| 961 | |a paper_00978485_v17_n1_p83_Barrera |b paper |c PE | ||
| 962 | |a info:eu-repo/semantics/article |a info:ar-repo/semantics/artículo |b info:eu-repo/semantics/publishedVersion | ||
| 999 | |c 61191 | ||