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Modeling Dislocation Nucleation in Nanocrystals

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Multiscale Materials Modeling for Nanomechanics

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 245))

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Abstract

Plasticity in nanocrystals is observed to be dominated by dislocation nucleation, as these volumes are typically too small to support a significant population of defects. Thus, it is imperative that accurate models of dislocation nucleation be developed to predict the strength of these novel structures. In this chapter, a set of multiscale models are introduced to address dislocation nucleation that spans both length- and time scales. Atomistic models are used to parameterize the activation energy associated with dislocation nucleation as a function of stress and/or strain. These results can be combined with transition state theory to predict dislocation nucleation with relative accuracy as a function of both temperature and time. Continuum models of dislocation nucleation can also be used, in conjunction with parameters from atomistic simulations, to extend the atomistic results to addition geometries, sizes, and materials. These models can then be integrated into mesoscale models of plasticity, such as dislocation dynamics, that are able to evolve the dislocation structures providing a complete picture of plasticity in these materials.

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Authors and Affiliations

  1. Drexel University, 3141 Chestnut St., Philadelphia, PA, USA

    Matthew Guziewski, Hang Yu & Christopher R. Weinberger

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  1. Matthew Guziewski
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  2. Hang Yu
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  3. Christopher R. Weinberger
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Correspondence to Christopher R. Weinberger .

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  1. Drexel University, Philadelphia, Pennsylvania, USA

    Christopher R. Weinberger

  2. Drexel University, Philadelphia, Pennsylvania, USA

    Garritt J. Tucker

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Guziewski, M., Yu, H., Weinberger, C.R. (2016). Modeling Dislocation Nucleation in Nanocrystals. In: Weinberger, C., Tucker, G. (eds) Multiscale Materials Modeling for Nanomechanics. Springer Series in Materials Science, vol 245. Springer, Cham. https://doi.org/10.1007/978-3-319-33480-6_12

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