Informace o publikaci
Ab initio simulation of a tensile test in iron
| Autoři | |
|---|---|
| Rok publikování | 2001 |
| Druh | Článek ve sborníku |
| Konference | Proceedings of the International Conference Juniormat'01 |
| Fakulta / Pracoviště MU | |
| Citace | FRIÁK, Martin, Mojmír ŠOB a Václav VITEK. Ab initio simulation of a tensile test in iron. In Proceedings of the International Conference Juniormat'01. Brno, Česká republika: Institute of Materials Engineering, Brno University of Technology, Brno 2001, 2001, s. 117-120. ISBN 80-214-1885-0. |
| Obor | Fyzika pevných látek a magnetismus |
| Klíčová slova | tensile strength; ab initio simulation; iron; theoretical tensile strength |
| Popis | 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. |