Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC

Reaction pathway analysis was carried out to investigate the activation energy barriers of Shockley partial dislocation mobility in 3C-SiC. For each partial dislocation, there are two types of dislocations according to which kind of atom, Si or C, comprises the core edge of the dislocation line. In...

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Autores principales:	Jing YANG, Satoshi IZUMI, Ryota MURANAKA, Yu SUN, Shotaro HARA, Shinsuke SAKAI
Formato:	article
Lenguaje:	EN
Publicado:	The Japan Society of Mechanical Engineers 2015
Materias:	reaction path way shockley partial dislocation dislocation activation energy barrier morphology of dislocation lines kink nucleation and migration Mechanical engineering and machinery TJ1-1570
Acceso en línea:	https://doaj.org/article/b23341665c724d4ca7c4f59b7f43328e
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spelling	oai:doaj.org-article:b23341665c724d4ca7c4f59b7f43328e2021-11-26T06:27:48ZReaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC2187-974510.1299/mej.15-00183https://doaj.org/article/b23341665c724d4ca7c4f59b7f43328e2015-07-01T00:00:00Zhttps://www.jstage.jst.go.jp/article/mej/2/4/2_15-00183/_pdf/-char/enhttps://doaj.org/toc/2187-9745Reaction pathway analysis was carried out to investigate the activation energy barriers of Shockley partial dislocation mobility in 3C-SiC. For each partial dislocation, there are two types of dislocations according to which kind of atom, Si or C, comprises the core edge of the dislocation line. In this paper, the partial dislocation is simulated by Vashishta potential functions. Moreover, the activation energy of kink pair nucleation and kink migration are investigated by reaction pathway analysis. The dependence of the activation energy on the driving shear stress is also discussed. The results show that during kink migration, 30° partial dislocations have a lower activation energy barrier than 90° partial dislocation. And, C-core partial dislocations have a higher activation energy barrier than Si-core dislocations for both degrees of partial dislocations during kink migration and nucleation. This conclusion is consistent with the experimental result that Si-core dislocations migrate more readily than C-core dislocations. Furthermore, we found that partial dislocations with larger distance between the dangling bond atoms along the dislocation line have higher activation energy barriers. Based our calculation results, we propose new models to account for the morphological differences in the dislocation lines.Jing YANGSatoshi IZUMIRyota MURANAKAYu SUNShotaro HARAShinsuke SAKAIThe Japan Society of Mechanical Engineersarticlereaction path wayshockley partial dislocationdislocation activation energy barriermorphology of dislocation lineskink nucleation and migrationMechanical engineering and machineryTJ1-1570ENMechanical Engineering Journal, Vol 2, Iss 4, Pp 15-00183-15-00183 (2015)
institution	DOAJ
collection	DOAJ
language	EN
topic	reaction path way shockley partial dislocation dislocation activation energy barrier morphology of dislocation lines kink nucleation and migration Mechanical engineering and machinery TJ1-1570
spellingShingle	reaction path way shockley partial dislocation dislocation activation energy barrier morphology of dislocation lines kink nucleation and migration Mechanical engineering and machinery TJ1-1570 Jing YANG Satoshi IZUMI Ryota MURANAKA Yu SUN Shotaro HARA Shinsuke SAKAI Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
description	Reaction pathway analysis was carried out to investigate the activation energy barriers of Shockley partial dislocation mobility in 3C-SiC. For each partial dislocation, there are two types of dislocations according to which kind of atom, Si or C, comprises the core edge of the dislocation line. In this paper, the partial dislocation is simulated by Vashishta potential functions. Moreover, the activation energy of kink pair nucleation and kink migration are investigated by reaction pathway analysis. The dependence of the activation energy on the driving shear stress is also discussed. The results show that during kink migration, 30° partial dislocations have a lower activation energy barrier than 90° partial dislocation. And, C-core partial dislocations have a higher activation energy barrier than Si-core dislocations for both degrees of partial dislocations during kink migration and nucleation. This conclusion is consistent with the experimental result that Si-core dislocations migrate more readily than C-core dislocations. Furthermore, we found that partial dislocations with larger distance between the dangling bond atoms along the dislocation line have higher activation energy barriers. Based our calculation results, we propose new models to account for the morphological differences in the dislocation lines.
format	article
author	Jing YANG Satoshi IZUMI Ryota MURANAKA Yu SUN Shotaro HARA Shinsuke SAKAI
author_facet	Jing YANG Satoshi IZUMI Ryota MURANAKA Yu SUN Shotaro HARA Shinsuke SAKAI
author_sort	Jing YANG
title	Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
title_short	Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
title_full	Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
title_fullStr	Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
title_full_unstemmed	Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC
title_sort	reaction pathway analysis for differences in motion between c-core and si-core partial dislocation in 3c-sic
publisher	The Japan Society of Mechanical Engineers
publishDate	2015
url	https://doaj.org/article/b23341665c724d4ca7c4f59b7f43328e
work_keys_str_mv	AT jingyang reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic AT satoshiizumi reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic AT ryotamuranaka reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic AT yusun reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic AT shotarohara reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic AT shinsukesakai reactionpathwayanalysisfordifferencesinmotionbetweenccoreandsicorepartialdislocationin3csic
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Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC

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