Multiscale calculations of dislocation bias in fcc Ni and bcc Fe model lattices

In order to gain more insights on void swelling, dislocation bias is studied in this work. Molecular static simulations with empirical potentials are applied to map the dislocation–point defects interaction energies in both fcc Ni and bcc Fe model lattices. The interaction energies are then used to...

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Veröffentlicht in:Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Beam interactions with materials and atoms, 2015-06, Vol.352, p.81-85
Hauptverfasser: Chang, Z., Olsson, P., Terentyev, D., Sandberg, N.
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Sprache:eng
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Zusammenfassung:In order to gain more insights on void swelling, dislocation bias is studied in this work. Molecular static simulations with empirical potentials are applied to map the dislocation–point defects interaction energies in both fcc Ni and bcc Fe model lattices. The interaction energies are then used to numerically solve the diffusion equation and obtain the dislocation bias. The importance of the dislocation core region is studied under a the temperature range 573–1173K and the dislocation densities 1012–1015m-2. The results show that larger dislocation bias is found in the fcc Ni than in the bcc Fe under different temperatures and dislocation densities. The anisotropic interaction energy model is used to obtain the dislocation bias and the result is compared to that obtained using the atomistic interaction model, the contribution from the core structure is then shown in both the Ni lattice and the Fe lattice.
ISSN:0168-583X
1872-9584
DOI:10.1016/j.nimb.2014.12.068