Detailed Information on Publication Record
2001
Ab initio simulation of a tensile test in iron
FRIÁK, Martin, Mojmír ŠOB and Václav VITEKBasic information
Original name
Ab initio simulation of a tensile test in iron
Authors
FRIÁK, Martin, Mojmír ŠOB and Václav VITEK
Edition
Brno, Česká republika, Proceedings of the International Conference Juniormat'01, p. 117-120, 2001
Publisher
Institute of Materials Engineering, Brno University of Technology, Brno 2001
Other information
Language
English
Type of outcome
Stať ve sborníku
Field of Study
10302 Condensed matter physics
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
RIV identification code
RIV/00216224:14310/01:00005063
Organization unit
Faculty of Science
ISBN
80-214-1885-0
Keywords in English
tensile strength; ab initio simulation; iron; theoretical tensile strength
Změněno: 27/5/2002 14:33, Mgr. Martin Friák, Ph.D.
Abstract
V originále
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.
Links
| GA106/99/1178, research and development project |
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| IAA1010817, research and development project |
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| OC P3.10, research and development project |
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