Vacancy clustering to faulted loop, stacking fault tetrahedron and void in fcc metals
An atomistic step of growth to a faulted loop, a stacking fault tetrahedron (sft) and a void by clustering of vacancies in fcc metals was studied by molecular dynamics computer simulation with an isotropic EAM potential due to Daw and Baskes [1]. In aluminum, a tri-vacancy relaxes to the Damask-Dien...
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Veröffentlicht in: | Radiation effects and defects in solids 1997-06, Vol.141 (1-4), p.311-324 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | An atomistic step of growth to a faulted loop, a stacking fault tetrahedron (sft) and a void by clustering of vacancies in fcc metals was studied by molecular dynamics computer simulation with an isotropic EAM potential due to Daw and Baskes [1]. In aluminum, a tri-vacancy relaxes to the Damask-Dienes-Weizer structure (3v-sft). A penta-vacancy relaxes to an octahedral 6v in which an atom is included. The relaxed 5v is stable so that a 6v grows to doubly linked relaxed 5v. This is a critical step of faulted loop formation. By further absorption of vacancy, a cluster grows to an array of relaxed 5vs on a (111) plane and finally collapses to a faulted loop. In gold, a stable structure of vacancy cluster below 15v is a void. A tri-vacancy in gold does not relax to the Damask-Dienes-Weizer structure. Above the size of 6v, partial relaxation of 3v-sft type was observed. The relaxation of a micro-void to a sft is the thermal activated process. In nickel, a void is the most stable cluster below 20v and a sft is the most stable structure above the size of 20v. In Ni, a micro-void grows to a large void due to the difficulty of relaxation to a sft. Vacancies in Ag grow to a sft in the similar way as vacancy clustering in Au. |
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ISSN: | 1042-0150 1029-4953 |
DOI: | 10.1080/10420159708211578 |