Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys

Ken Suzuki; Yo Ichi Takeda; Zhanpeng Lu; Tetsuo Shoji

Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys

Ken Suzuki, Yo Ichi Takeda, Zhanpeng Lu, Tetsuo Shoji

ENG - Fracture and Reliability Research Institute

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Citation (Scopus)

Abstract

Computational chemistry has been used to investigate the mechanism of accelerated oxidation of IGSCC. It has been found that the iron atoms along the grain boundary were oxidized more easily than those at other sites. Moreover, success has been achieved in the examination of the effects of element additions to Fe-based alloys. The results indicated that the Ti, Mn, Sr, Y, Ce, and Hf could be used as such additional elements to obtain improvements in the SCC resistance.

Original language	English
Title of host publication	Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04
Pages	1937-1941
Number of pages	5
Publication status	Published - 2004
Event	Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04 - Pittsburgh, PA, United States Duration: 2004 Jun 13 → 2004 Jun 17

Publication series

Name	Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04

Other

Other	Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04
Country/Territory	United States
City	Pittsburgh, PA
Period	04/6/13 → 04/6/17

ASJC Scopus subject areas

Engineering(all)

Cite this

Suzuki, K., Takeda, Y. I., Lu, Z., & Shoji, T. (2004). Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys. In Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04 (pp. 1937-1941). (Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04).

Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys. / Suzuki, Ken ; Takeda, Yo Ichi; Lu, Zhanpeng et al.
Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04. 2004. p. 1937-1941 (Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Suzuki, K , Takeda, YI, Lu, Z & Shoji, T 2004, Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys. in Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04. Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04, pp. 1937-1941, Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04, Pittsburgh, PA, United States, 04/6/13.

Suzuki K , Takeda YI, Lu Z, Shoji T. Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys. In Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04. 2004. p. 1937-1941. (Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04).

Suzuki, Ken ; Takeda, Yo Ichi ; Lu, Zhanpeng et al. / Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys. Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04. 2004. pp. 1937-1941 (Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04).

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abstract = "Computational chemistry has been used to investigate the mechanism of accelerated oxidation of IGSCC. It has been found that the iron atoms along the grain boundary were oxidized more easily than those at other sites. Moreover, success has been achieved in the examination of the effects of element additions to Fe-based alloys. The results indicated that the Ti, Mn, Sr, Y, Ce, and Hf could be used as such additional elements to obtain improvements in the SCC resistance.",

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AU - Takeda, Yo Ichi

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AU - Shoji, Tetsuo

PY - 2004

Y1 - 2004

N2 - Computational chemistry has been used to investigate the mechanism of accelerated oxidation of IGSCC. It has been found that the iron atoms along the grain boundary were oxidized more easily than those at other sites. Moreover, success has been achieved in the examination of the effects of element additions to Fe-based alloys. The results indicated that the Ti, Mn, Sr, Y, Ce, and Hf could be used as such additional elements to obtain improvements in the SCC resistance.

AB - Computational chemistry has been used to investigate the mechanism of accelerated oxidation of IGSCC. It has been found that the iron atoms along the grain boundary were oxidized more easily than those at other sites. Moreover, success has been achieved in the examination of the effects of element additions to Fe-based alloys. The results indicated that the Ti, Mn, Sr, Y, Ce, and Hf could be used as such additional elements to obtain improvements in the SCC resistance.

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BT - Proceedings of the 2004 International Congress on Advances in Nuclear Power Plants, ICAPP'04

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Y2 - 13 June 2004 through 17 June 2004

ER -

Computational chemistry study of accelerated oxidation mechanism of IGSCC of structural materials in LWR environments and theoretical design of SCC resistant alloys

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