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Ab initio calculation of tensile strength in iron.

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F03%3A07033151" target="_blank" >RIV/68081723:_____/03:07033151 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Ab initio calculation of tensile strength in iron.

  • Original language description

    A tensile test in ferromagnetic iron for loading in [001] and [111] directions is simulated by ab initio electronic structure calculations using all-electron full potential linearized augmented plane wave method (FLAPW) within generalized gradient approximation (GGA). The theoretical tensile strengths and Young moduli of ferromagnetic iron are determined and compared with those of other materials. The magnetic and elastic behaviour of iron under uniaxial tensile loading is discussed in detail and compared with the results for isotropic tension (i.e. for negative hydrostatic pressure). Marked anisotropy of theoretical tensile strength in [001] and [111] direction is explained in terms of higher-symmetry structures present or absent along the deformationpaths.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BM - Solid-state physics and magnetism

  • OECD FORD branch

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2003

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Philosophical Magazine

  • ISSN

    1478-6435

  • e-ISSN

  • Volume of the periodical

    83

  • Issue of the periodical within the volume

    31-34

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    9

  • Pages from-to

    3529-3537

  • UT code for WoS article

  • EID of the result in the Scopus database