The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine

In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg$_{{2}}$SiO$_{{4}}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to...
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Autor*in:	Mahendran, Srinivasan [verfasserIn] Carrez, Philippe [verfasserIn] Cordier, Patrick [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch ; Französisch

Erschienen:	2021

Schlagwörter:	Atomistic simulations Crystal plasticity Dislocation glide Core structure Olivine

Übergeordnetes Werk:	In: Comptes Rendus. Physique - Académie des sciences, 2022, 22(2021), S3, Seite 7-18
Übergeordnetes Werk:	volume:22 ; year:2021 ; number:S3 ; pages:7-18

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.5802/crphys.27

Katalog-ID:	DOAJ100746268

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520			\|a In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg$_{{2}}$SiO$_{{4}}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in $\lbrace 110\rbrace $ planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in $\lbrace 110\rbrace $ planes at low temperature. This study also highlights the difference between dislocation glide mechanism in $\lbrace 110\rbrace $ versus $(010)$ or $(100)$ for which glide is expected to occur through a locking–unlocking mechanism.
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language	English French
source	In Comptes Rendus. Physique 22(2021), S3, Seite 7-18 volume:22 year:2021 number:S3 pages:7-18
sourceStr	In Comptes Rendus. Physique 22(2021), S3, Seite 7-18 volume:22 year:2021 number:S3 pages:7-18
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Atomistic simulations Crystal plasticity Dislocation glide Core structure Olivine Physics
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container_title	Comptes Rendus. Physique
authorswithroles_txt_mv	Mahendran, Srinivasan @@aut@@ Carrez, Philippe @@aut@@ Cordier, Patrick @@aut@@
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callnumber-first	Q - Science
author	Mahendran, Srinivasan
spellingShingle	Mahendran, Srinivasan misc QC1-999 misc Atomistic simulations misc Crystal plasticity misc Dislocation glide misc Core structure misc Olivine misc Physics The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine
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topic_title	QC1-999 The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine Atomistic simulations Crystal plasticity Dislocation glide Core structure Olivine
topic	misc QC1-999 misc Atomistic simulations misc Crystal plasticity misc Dislocation glide misc Core structure misc Olivine misc Physics
topic_unstemmed	misc QC1-999 misc Atomistic simulations misc Crystal plasticity misc Dislocation glide misc Core structure misc Olivine misc Physics
topic_browse	misc QC1-999 misc Atomistic simulations misc Crystal plasticity misc Dislocation glide misc Core structure misc Olivine misc Physics
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title	The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine
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title_full	The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine
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title_sort	core structure of screw dislocations with [001] burgers vector in mg$_2$sio$_4$ olivine
callnumber	QC1-999
title_auth	The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine
abstract	In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg$_{{2}}$SiO$_{{4}}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in $\lbrace 110\rbrace $ planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in $\lbrace 110\rbrace $ planes at low temperature. This study also highlights the difference between dislocation glide mechanism in $\lbrace 110\rbrace $ versus $(010)$ or $(100)$ for which glide is expected to occur through a locking–unlocking mechanism.
abstractGer	In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg$_{{2}}$SiO$_{{4}}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in $\lbrace 110\rbrace $ planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in $\lbrace 110\rbrace $ planes at low temperature. This study also highlights the difference between dislocation glide mechanism in $\lbrace 110\rbrace $ versus $(010)$ or $(100)$ for which glide is expected to occur through a locking–unlocking mechanism.
abstract_unstemmed	In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg$_{{2}}$SiO$_{{4}}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in $\lbrace 110\rbrace $ planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in $\lbrace 110\rbrace $ planes at low temperature. This study also highlights the difference between dislocation glide mechanism in $\lbrace 110\rbrace $ versus $(010)$ or $(100)$ for which glide is expected to occur through a locking–unlocking mechanism.
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title_short	The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine
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The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine

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