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Ab initio simulation of a tensile test in iron
- 1.0177608 - UFM-A 20013252 RIV SIGLE CZ eng K - Conference Paper (Czech conference)
Friák, Martin - Šob, Mojmír - Vitek, V.
Ab initio simulation of a tensile test in iron.
Proceedings of the International Conference Juniormat'01. Ostrava: Ústav materiálového inženýrství F. Píška VUT FSI Brno a Česká společnost pro nové materiály a technologie, 2001, s. 117-120. ISBN 80-214-1885-0.
[Juniormat'01. Brno (CZ), 19.09.2001-20.09.2001]
R&D Projects: GA AV ČR IAA1010817; GA ČR GA106/99/1178; GA MŠMT OC P3.10
Institutional research plan: CEZ:AV0Z2041904
Keywords : tensile test simulation * iron * magnetism
Subject RIV: BM - Solid Matter Physics ; Magnetism
A tensile test in ferromagnetic and nonmagnetic iron 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 strength of ferromagnetic iron for [001] loading is determined and compared with that of other materials. The magnetic behavior of iron under tensile loading is studied in detail and compared with results for triaxial loading.
Permanent Link: http://hdl.handle.net/11104/0074527
Number of the records: 1