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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todo:paper_00978485_v17_n1_p83_Barrera2023-10-03T14:56:51Z Thermal expansion and third order elastic constants of FCC metals Barrera, G.D. Batana, 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. Fil:Barrera, G.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Batana, A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00978485_v17_n1_p83_Barrera |
institution |
Universidad de Buenos Aires |
institution_str |
I-28 |
repository_str |
R-134 |
collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
description |
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. |
format |
JOUR |
author |
Barrera, G.D. Batana, A. |
spellingShingle |
Barrera, G.D. Batana, A. Thermal expansion and third order elastic constants of FCC metals |
author_facet |
Barrera, G.D. Batana, A. |
author_sort |
Barrera, G.D. |
title |
Thermal expansion and third order elastic constants of FCC metals |
title_short |
Thermal expansion and third order elastic constants of FCC metals |
title_full |
Thermal expansion and third order elastic constants of FCC metals |
title_fullStr |
Thermal expansion and third order elastic constants of FCC metals |
title_full_unstemmed |
Thermal expansion and third order elastic constants of FCC metals |
title_sort |
thermal expansion and third order elastic constants of fcc metals |
url |
http://hdl.handle.net/20.500.12110/paper_00978485_v17_n1_p83_Barrera |
work_keys_str_mv |
AT barreragd thermalexpansionandthirdorderelasticconstantsoffccmetals AT batanaa thermalexpansionandthirdorderelasticconstantsoffccmetals |
_version_ |
1782030133123612672 |