2012年
Grain boundary embrittlement of Fe induced by P segregation: First-principles tensile tests
Advanced Materials Research
- ,
- 巻
- 409
- 号
- 開始ページ
- 455
- 終了ページ
- 460
- 記述言語
- 英語
- 掲載種別
- 研究論文(国際会議プロシーディングス)
- DOI
- 10.4028/www.scientific.net/AMR.409.455
The GB embrittlement mechanism of Fe enhanced by P segregation has been investigated by first-principles tensile tests because a P atom is a famous GB embrittler in Fe. The first-principles tensile tests have been performed on Fe with two P-segregated GBs, where P atoms are located at the different sites, and with a nonsegregated GB. The tensile strength and the strain to failure in the P-segregated GBs were lower than those in the nonsegegated GB. The first bond breaking occurred at the Fe-P bond owing to the covalent-like characteristics, although the charge densities were high at the Fe-P bonds even just before the bond breaking. This premature bond breaking of Fe-P was independent of the location of the P atom. © (2012) Trans Tech Publications, Switzerland.
- ID情報
-
- DOI : 10.4028/www.scientific.net/AMR.409.455
- ISSN : 1022-6680
- SCOPUS ID : 84855209798