[Kovove materialy - Metallic materials]
    Fri - April 19, 2019 - 19:04 No. of hits : 1011716 ISSN 1338-4252 (online) ISSN 0023-432X (printed)
© Institute of Materials and Machine Mechanics, Slovak Academy of Sciences, Bratislava, Slovak Republic

VOLUME 36 (1998), Issue 3

Ab initio calculation of the ideal tensile strength in copper and nickel aluminide
vol. 36 (1998), no. 3, pp. 145 - 152

Fully self-consistent ab initio electronic structure calculation of the theoretical tensile strength of single-crystalline copper and NiAl loaded uniaxially along several crystallographic directions is performed using the full-potential LAPW method. In copper, the calculated theoretical tensile strengths are about an order of magnitude higher than the measured ones. This is in contrast with a recent similar analysis performed for tungsten where a good agreement with experimental data was attained. This indicates that another instability occurs in the material before the critical tensile stress is reached. In NiAl, the "hard" orientation [001] differs very significantly from the [111] orientation; this anisotropy may be understood in terms of higher-symmetry structures present along some deformation paths.

Key words
copper, NiAl, tensile strength, full-potential LAPW method, higher-symmetry structures

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Full title of this journal is bilingual: Kovové materiály - Metallic Materials.
The official abbreviation in accordance with JCR ISI is Kovove Mater.

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