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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Algorithm Development in Materials Science and Engineering
Presentation Title Hierarchical Integration of Atomistically-derived Dislocation Mobility Laws into Discrete Dislocation Dynamics Simulations
Author(s) Darshan Bamney, Khanh Q Dang, Laurent Capolungo, Douglas Spearot
On-Site Speaker (Planned) Darshan Bamney
Abstract Scope Empirical piecewise dislocation mobility functions derived from atomistic simulations of straight dislocations are incorporated into a discrete dislocation dynamics (DDD) framework to improve the representation of the physics of dislocation motion. Mobility functions for different dislocation character angles, which account for linear phonon damping and non-linear radiative damping regimes, are integrated via a linearization strategy fully compliant with the thermodynamic equation of motion used in DDD. In addition, the role of non-Schmid stresses on dislocation mobility is incorporated via the same framework. Results show excellent agreement between dislocation loop kinetics simulated by atomistics and DDD. For instance, modified mobility due to the local stress state and faceting due to modified core structure, as observed in atomistics, are captured by DDD simulations. Large-scale DDD simulations of plastic deformation in Al will be presented to highlight the importance of the new mobility laws in characterizing the elasto-plastic transition in mesoscale plasticity models.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

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