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Meeting MS&T23: Materials Science & Technology
Symposium Leveraging Integrated Computational Materials Engineering for High-fidelity Physics-based and Machine Learning Models
Presentation Title Simulating Macroscale Microstructures Using Advanced Programming and Numerical Methods
Author(s) Evan J. Lieberman, Caleb O. Yenusah, Adrian Diaz, Ricardo A. Lebensohn, Nathaniel R. Morgan
On-Site Speaker (Planned) Evan J. Lieberman
Abstract Scope We present advanced programming techniques and numerical methods that are applied to solid dynamics simulations to allow for efficient and accurate modeling of mesoscale mechanics on large scales. For the general simulation framework, we use the open-source Fierro mechanics code, in particular the Lagrangian mass-lumped continuous Galerkin hydrodynamic (CGH) method. Fierro is an advanced computational mechanics code that uses the C++ Matrix and Array (MATAR) library for productivity, performance, and portability across computer architectures. The mesoscale mechanics are modeled using an elasto-viscoplastic single crystal plasticity model. The computational scaling and efficiency are demonstrated through single crystal and large-scale polycrystal simulations of the Taylor anvil test. We will also show how advanced numerical methods, such as high-order finite element methods or a coupled Green’s function-based fast Fourier transform method, can be used to bridge the mesoscale and macroscale within a simulation.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Application of Machine Learning Framework in Predicting Creep Response of High Temperature Alloys
Hybrid Simulation Method Based on Molecular Dynamics and Machine Learning to Improve Property Prediction with Lower Computational Cost in Complex System
New Refractory High Entropy Alloys Discovery by Physics Discovery
Novel Convolutional-Recurrent Hybrid Neural Network for Predicting Fission Gas Release in UO2 Nuclear Fuel
Robotic Bending of Craniomaxillofacial Graft Fixation Plates
Simulating Macroscale Microstructures Using Advanced Programming and Numerical Methods

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