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Long-timescale transformations of self-interstitial atom clusters of Cu using the SEAKMC method: The effect of setting an activation energy threshold for saddle point searches

Authors :
S. Hayakawa
Y. Yamamoto
T. Okita
M. Itakura
K. Suzuki
Source :
Computational Materials Science. 218:111987
Publication Year :
2023
Publisher :
Elsevier BV, 2023.

Details

ISSN :
09270256
Volume :
218
Database :
OpenAIRE
Journal :
Computational Materials Science
Accession number :
edsair.doi...........2d9451f0d377a0b4047b94e92d0a8f84