Grain Boundary Embrittlement of Fe Induced by P Segregation: First-Principles Tensile Tests
2011 ◽
Vol 409
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pp. 455-460
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Keyword(s):
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.
Keyword(s):
Keyword(s):
2011 ◽
Vol 52
(7)
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pp. 1369-1373
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2012 ◽
Vol 55
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pp. 17-22
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2010 ◽
Vol 42
(2)
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pp. 319-329
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2010 ◽
Vol 42
(2)
◽
pp. 330-339
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2010 ◽
Vol 654-656
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pp. 942-945
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