Cargando…

Fast, vacancy-free climb of prismatic dislocation loops in bcc metals

Vacancy-mediated climb models cannot account for the fast, direct coalescence of dislocation loops seen experimentally. An alternative mechanism, self climb, allows prismatic dislocation loops to move away from their glide surface via pipe diffusion around the loop perimeter, independent of any vaca...

Descripción completa

Detalles Bibliográficos
Autores principales: Swinburne, Thomas D., Arakawa, Kazuto, Mori, Hirotaro, Yasuda, Hidehiro, Isshiki, Minoru, Mimura, Kouji, Uchikoshi, Masahito, Dudarev, Sergei L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4993995/
https://www.ncbi.nlm.nih.gov/pubmed/27549928
http://dx.doi.org/10.1038/srep30596
_version_ 1782449235384336384
author Swinburne, Thomas D.
Arakawa, Kazuto
Mori, Hirotaro
Yasuda, Hidehiro
Isshiki, Minoru
Mimura, Kouji
Uchikoshi, Masahito
Dudarev, Sergei L.
author_facet Swinburne, Thomas D.
Arakawa, Kazuto
Mori, Hirotaro
Yasuda, Hidehiro
Isshiki, Minoru
Mimura, Kouji
Uchikoshi, Masahito
Dudarev, Sergei L.
author_sort Swinburne, Thomas D.
collection PubMed
description Vacancy-mediated climb models cannot account for the fast, direct coalescence of dislocation loops seen experimentally. An alternative mechanism, self climb, allows prismatic dislocation loops to move away from their glide surface via pipe diffusion around the loop perimeter, independent of any vacancy atmosphere. Despite the known importance of self climb, theoretical models require a typically unknown activation energy, hindering implementation in materials modeling. Here, extensive molecular statics calculations of pipe diffusion processes around irregular prismatic loops are used to map the energy landscape for self climb in iron and tungsten, finding a simple, material independent energy model after normalizing by the vacancy migration barrier. Kinetic Monte Carlo simulations yield a self climb activation energy of 2 (2.5) times the vacancy migration barrier for 1/2〈111〉 (〈100〉) dislocation loops. Dislocation dynamics simulations allowing self climb and glide show quantitative agreement with transmission electron microscopy observations of climbing prismatic loops in iron and tungsten, confirming that this novel form of vacancy-free climb is many orders of magnitude faster than what is predicted by traditional climb models. Self climb significantly influences the coarsening rate of defect networks, with important implications for post-irradiation annealing.
format Online
Article
Text
id pubmed-4993995
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher Nature Publishing Group
record_format MEDLINE/PubMed
spelling pubmed-49939952016-08-30 Fast, vacancy-free climb of prismatic dislocation loops in bcc metals Swinburne, Thomas D. Arakawa, Kazuto Mori, Hirotaro Yasuda, Hidehiro Isshiki, Minoru Mimura, Kouji Uchikoshi, Masahito Dudarev, Sergei L. Sci Rep Article Vacancy-mediated climb models cannot account for the fast, direct coalescence of dislocation loops seen experimentally. An alternative mechanism, self climb, allows prismatic dislocation loops to move away from their glide surface via pipe diffusion around the loop perimeter, independent of any vacancy atmosphere. Despite the known importance of self climb, theoretical models require a typically unknown activation energy, hindering implementation in materials modeling. Here, extensive molecular statics calculations of pipe diffusion processes around irregular prismatic loops are used to map the energy landscape for self climb in iron and tungsten, finding a simple, material independent energy model after normalizing by the vacancy migration barrier. Kinetic Monte Carlo simulations yield a self climb activation energy of 2 (2.5) times the vacancy migration barrier for 1/2〈111〉 (〈100〉) dislocation loops. Dislocation dynamics simulations allowing self climb and glide show quantitative agreement with transmission electron microscopy observations of climbing prismatic loops in iron and tungsten, confirming that this novel form of vacancy-free climb is many orders of magnitude faster than what is predicted by traditional climb models. Self climb significantly influences the coarsening rate of defect networks, with important implications for post-irradiation annealing. Nature Publishing Group 2016-08-23 /pmc/articles/PMC4993995/ /pubmed/27549928 http://dx.doi.org/10.1038/srep30596 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Swinburne, Thomas D.
Arakawa, Kazuto
Mori, Hirotaro
Yasuda, Hidehiro
Isshiki, Minoru
Mimura, Kouji
Uchikoshi, Masahito
Dudarev, Sergei L.
Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title_full Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title_fullStr Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title_full_unstemmed Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title_short Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
title_sort fast, vacancy-free climb of prismatic dislocation loops in bcc metals
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4993995/
https://www.ncbi.nlm.nih.gov/pubmed/27549928
http://dx.doi.org/10.1038/srep30596
work_keys_str_mv AT swinburnethomasd fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT arakawakazuto fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT morihirotaro fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT yasudahidehiro fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT isshikiminoru fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT mimurakouji fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT uchikoshimasahito fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals
AT dudarevsergeil fastvacancyfreeclimbofprismaticdislocationloopsinbccmetals