| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
|
| Presentation Title |
Simulation vs. Experiment: The Limits of Predictive Models for Microstructural Evolution |
| Author(s) |
Elizabeth A. Holm, Meizhong Lyu |
| On-Site Speaker (Planned) |
Elizabeth A. Holm |
| Abstract Scope |
Computer simulations of polycrystalline grain growth reproduce average features and trends but do not reliably predict experimental growth trajectories for individual grains. To understand this disagreement, we must examine the sources of uncertainty in simulation and experiment. Experimental uncertainty is assumed to arise from limitations on our knowledge of the initial state and by measurement resolution. The possibility that there is innate uncertainty is rarely considered. We perform grain growth simulations using the Molecular Dynamics method. Even when starting from identical initial structures, growth trajectories of individual grains can vary significantly from run to run. We trace these differences to discrete, stochastic evolution events. The implication is that grain growth includes an innate uncertainty that limits the ability of simulation to reproduce experiments. However, we find that experimental results fall within a predictable range of simulation results, offering a new way to approach the agreement between simulations and experiments. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, ICME |