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Study of copper precipitates in alpha-iron by computer simulation. II. Interatomic potential for Fe-Cu interactions and properties of coherent precipitates

Autor
Osetsky, Y.; Serra, A.
Tipus d'activitat
Article en revista
Revista
Philosophical magazine A
Data de publicació
1996-01
Volum
73
Número
1
Pàgina inicial
249
Pàgina final
263
DOI
https://doi.org/10.1080/01418619608242981 Obrir en finestra nova
URL
http://www.tandfonline.com/doi/abs/10.1080/01418619608242981#.VWhAxdLtlHw Obrir en finestra nova
Resum
A pair potential describing Fe[sbnd]Cu interactions has been constructed. The potential was fitted to the vacancy-Cu binding energy in bcc Fe and the dilatation properties of coherent Cu precipitates. Properties of Cu-point defects complexes in the bcc-Fe matrix and point defect-precipitate interactions were calculated. The binding energy of a Cu atom with a small coherent precipitate (up to 180 Cu atoms) was estimated as a function of the precipitate size. This was found to be a non-monotonic f...
Grup de recerca
SC-SIMBIO - Sistemes complexos. Simulació discreta de materials i de sistemes biològics

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