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Atomistic study of multimechanism diffusion by self-interstitial defects in a-Fe

Autor
Anento, N.; Serra, A.; Osetsky, Y.
Tipus d'activitat
Article en revista
Revista
Modeling and simulation in materials science and engineering
Data de publicació
2010
Volum
18
Número
2
Pàgina inicial
1
Pàgina final
19
DOI
https://doi.org/10.1088/0965-0393/18/2/025008 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/8270 Obrir en finestra nova
URL
http://iopscience.iop.org/0965-0393/18/2/025008/pdf/0965-0393_18_2_025008.pdf Obrir en finestra nova
Resum
We present the results of an extensive molecular dynamics study of selfinterstitial atom (SIA) clusters containing up to 37 defects over a wide range of temperatures in iron. A long simulation time and high statistics of defect jumps allowed a detailed treatment of the data to be performed. Diffusion exhibits a change in mechanism from three-dimensional to one-dimensional for clusters of 4–7 SIAs. Stable sessile configurations present in the diffusion process are described and their influence ...
Citació
Anento, N.; Serra, A.; Osetsky, Y. Atomistic study of multimechanism diffusion by self-interstitial defects in ¿-Fe. "Modeling and simulation in materials science and engineering", 2010, vol. 18, núm. 2, p. 1-19.
Grup de recerca
SC-SIMBIO - Sistemes complexos. Simulació discreta de materials i de sistemes biològics

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