Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation. Yamakov, V., Wolf, D., Salazar, M., Phillpot, S. R., & Gleiter, H. Acta Materialia, 49(14):2713--2722, August, 2001. WOS:000170435300011doi abstract bibtex The nucleation of extended dislocations from the grain boundaries in nanocrystalline aluminum is studied by molecular-dynamics simulation. The length of the stacking fault connecting the two Shockley partials that form the extended dislocation, i.e., the dislocation splitting distance, r(split) depends not only on the stacking-fault energy but also on the resolved nucleation stress. Our simulations for columnar grain microstructures with a grain diameter, d, of up to 70 nm reveal that the magnitude of r(split) relative to d represents a critical length scale controlling the low-temperature mechanical behavior of nanocrystalline materials. For r(split)\textgreaterd, the first partials nucleated from the boundaries glide across the grains and become incorporated into the boundaries on the opposite side, leaving behind a grain transected by a stacking fault. By contrast, for r(split)\textlessd two Shockley partials connected by a stacking fault are emitted consecutively from the boundary, leading to a deformation microstructure similar to that of coarse-grained aluminum. The mechanical properties of nanocrystalline materials, such as the yield stress, therefore depend critically on the grain size. (C) 2001 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
@article{ yamakov_length-scale_2001,
title = {Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation},
volume = {49},
issn = {1359-6454},
doi = {10.1016/S1359-6454(01)00167-7},
abstract = {The nucleation of extended dislocations from the grain boundaries in nanocrystalline aluminum is studied by molecular-dynamics simulation. The length of the stacking fault connecting the two Shockley partials that form the extended dislocation, i.e., the dislocation splitting distance, r(split) depends not only on the stacking-fault energy but also on the resolved nucleation stress. Our simulations for columnar grain microstructures with a grain diameter, d, of up to 70 nm reveal that the magnitude of r(split) relative to d represents a critical length scale controlling the low-temperature mechanical behavior of nanocrystalline materials. For r(split){\textgreater}d, the first partials nucleated from the boundaries glide across the grains and become incorporated into the boundaries on the opposite side, leaving behind a grain transected by a stacking fault. By contrast, for r(split){\textless}d two Shockley partials connected by a stacking fault are emitted consecutively from the boundary, leading to a deformation microstructure similar to that of coarse-grained aluminum. The mechanical properties of nanocrystalline materials, such as the yield stress, therefore depend critically on the grain size. (C) 2001 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.},
number = {14},
journal = {Acta Materialia},
author = {Yamakov, V. and Wolf, D. and Salazar, M. and Phillpot, S. R. and Gleiter, H.},
month = {August},
year = {2001},
note = {{WOS}:000170435300011},
pages = {2713--2722}
}
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