Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium

Exact shape of Peierls barriers are calculated for ⟨ a⟩ edge and screw dislocation gliding on basal and prismatic planes in magnesium by using of several popular interatomic potentials. Comparison of these potentials is performed in order to describe their abilities and limitations. Stability of dif...

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Опубліковано в: :Физика низких температур
Дата:2017
Автори: Ostapovets, A., Vatazhuk, O.
Формат: Стаття
Мова:Англійська
Опубліковано: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2017
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Онлайн доступ:https://nasplib.isofts.kiev.ua/handle/123456789/129418
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Цитувати:Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium / A. Ostapovets, O. Vatazhuk // Физика низких температур. — 2017. — Т. 43, № 3. — С. 520-528. — Бібліогр.: 40 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
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author Ostapovets, A.
Vatazhuk, O.
author_facet Ostapovets, A.
Vatazhuk, O.
citation_txt Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium / A. Ostapovets, O. Vatazhuk // Физика низких температур. — 2017. — Т. 43, № 3. — С. 520-528. — Бібліогр.: 40 назв. — англ.
collection DSpace DC
container_title Физика низких температур
description Exact shape of Peierls barriers are calculated for ⟨ a⟩ edge and screw dislocation gliding on basal and prismatic planes in magnesium by using of several popular interatomic potentials. Comparison of these potentials is performed in order to describe their abilities and limitations. Stability of different types of dislocation cores are analyzed as well as their mutual transformations during dislocation slip. It was found that the Peierls stresses and barrier height are dependent on core type. It was concluded that transformations of dislocation cores along minimal energy paths have to be taken into account for development of analytical models of the slip in magnesium. The results are compared with available first-principles calculations.
first_indexed 2025-11-27T11:31:00Z
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institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
issn 0132-6414
language English
last_indexed 2025-11-27T11:31:00Z
publishDate 2017
publisher Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
record_format dspace
spelling Ostapovets, A.
Vatazhuk, O.
2018-01-19T16:08:15Z
2018-01-19T16:08:15Z
2017
Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium / A. Ostapovets, O. Vatazhuk // Физика низких температур. — 2017. — Т. 43, № 3. — С. 520-528. — Бібліогр.: 40 назв. — англ.
0132-6414
PACS: 61.72.Lk, 62.20.fq, 82.20.Wt
https://nasplib.isofts.kiev.ua/handle/123456789/129418
Exact shape of Peierls barriers are calculated for ⟨ a⟩ edge and screw dislocation gliding on basal and prismatic planes in magnesium by using of several popular interatomic potentials. Comparison of these potentials is performed in order to describe their abilities and limitations. Stability of different types of dislocation cores are analyzed as well as their mutual transformations during dislocation slip. It was found that the Peierls stresses and barrier height are dependent on core type. It was concluded that transformations of dislocation cores along minimal energy paths have to be taken into account for development of analytical models of the slip in magnesium. The results are compared with available first-principles calculations.
Authors acknowledge financial support from Czech
 Science Foundation (project 16-14599S) and Ministry of
 Education, Youth and Sports of the Czech Republic under
 the project CEITEC 2020 (LQ1601). Besides authors
 gratefully acknowledge Dr. Roman Gröger for discussion
 and provision his NEB code.
en
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
Физика низких температур
Низкотемпературная физика пластичности и прочности
Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
Article
published earlier
spellingShingle Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
Ostapovets, A.
Vatazhuk, O.
Низкотемпературная физика пластичности и прочности
title Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
title_full Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
title_fullStr Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
title_full_unstemmed Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
title_short Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
title_sort peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium
topic Низкотемпературная физика пластичности и прочности
topic_facet Низкотемпературная физика пластичности и прочности
url https://nasplib.isofts.kiev.ua/handle/123456789/129418
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AT vatazhuko peierlsbarriersofatypeedgeandscrewdislocationsmovingonbasalandprismaticplanesinmagnesium