Publication details
Ab initio simulation of a tensile test in iron
| Authors | |
|---|---|
| Year of publication | 2001 |
| Type | Article in Proceedings |
| Conference | Proceedings of the International Conference Juniormat'01 |
| MU Faculty or unit | |
| Citation | |
| Field | Solid matter physics and magnetism |
| Keywords | tensile strength; ab initio simulation; iron; theoretical tensile strength |
| Description | 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. |