TY - JOUR
T1 - Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
AU - Swinburne, Thomas D.
AU - Arakawa, Kazuto
AU - Mori, Hirotaro
AU - Yasuda, Hidehiro
AU - Isshiki, Minoru
AU - Mimura, Kouji
AU - Uchikoshi, Masahito
AU - Dudarev, Sergei L.
N1 - Funding Information:
We acknowledge grant 633053 from the European Unions Horizon 2020 research and innovation program, grant EP/I501045 from the RCUK Energy Program, grants 15H04244 and 15K14109 from JSPS KAKENHI and Advanced Characterization Nanotechnology Platform, Nanotechnology Platform Program of the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan, at the Research Centre for Ultra-High Voltage Electron Microscopy (Nanotechnology Open Facilities) in Osaka University. The views and opinions expressed herein do not necessarily reflect those of the European Commission.
Publisher Copyright:
© The Author(s) 2016.
PY - 2016/8/23
Y1 - 2016/8/23
N2 - 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.
AB - 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.
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U2 - 10.1038/srep30596
DO - 10.1038/srep30596
M3 - Article
AN - SCOPUS:84984645070
SN - 2045-2322
VL - 6
JO - Scientific Reports
JF - Scientific Reports
M1 - 30596
ER -