About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Deformation Mechanisms, Microstructure Evolution, and Mechanical Properties of Nanoscale Materials
|
Presentation Title |
Numerical Recipes: Preparing Nanostructured Materials for Computational Studies, from Metals to Colloids |
Author(s) |
Laurent Karim Béland, Hao Sun, Peyman Saidi, Yaoting Zhang, Mark Daymond, Isaac Tamblyn |
On-Site Speaker (Planned) |
Laurent Karim Béland |
Abstract Scope |
Numerical recipes: preparing nanostructured materials for computational studies, from metals to colloids.
Analogously to physical experiments, the relevance of numerical simulations hinge on the quality of the samples at hand. In this presentation, numerical sample preparation methods will be discussed, exploring various nanostructured materials, including nanograined nickel, aluminium and bentonite clay. In the case of nickel, the mechanical properties of nanograined nickel prepared using different strategies will be compared and contrasted. In the case of aluminium, we will show how to use neural networks to predict how grains will reorient under deformation. In the case of bentonite clay, we will show how to upscale nano-scale interations to the mesoscale, and construct micron-scale models of bentonite clay, which mechanical properties are in good agreement with experiments. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nanotechnology |