Abstract This paper employs a first-principles total-energy method to investigate the theoretical tensile strengths of bcc and fcc Fe systemically. It indicates that the theoretical tensile strengths are shown to be 12.4, 32.7, 27.5 GPa for bcc Fe, and 48.1, 34.6, 51.2 GPa for fcc Fe in the [001], [110] and [111] directions, respectively. For bcc Fe, the [001] direction is shown to be the weakest direction due to the occurrence of a phase transition from ferromagnetic bcc Fe to high spin ferromagnetic fcc Fe. For fcc Fe, the [110] direction is the weakest direction due to the formation of an instable saddle-point `bct structure' in the tensile process. Furthermore, it demonstrates that a magnetic instability will occur under a tensile strain of 14%, characterized by the transition of ferromagnetic bcc Fe to paramagnetic fcc Fe. The results provide a good reference to understand the intrinsic mechanical properties of Fe as a potential structural material in the nuclear fusion Tokamak.
Received: 06 June 2008
Revised: 23 October 2008
Accepted manuscript online:
(Mechanical testing, impact tests, static and dynamic loads)
Fund: Project supported by the National
Natural Science Foundation of China (Grant No 50771008) and New
Century Excellent Talents in University of China.
Cite this article:
Liu Yue-Lin(刘悦林), Zhang Ying(张颖), Hong Rong-Jie(洪荣杰), and Lu Guang-Hong(吕广宏) Study of theoretical tensile strength of Fe by a first-principles computational tensile test 2009 Chin. Phys. B 18 1923
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
