About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
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Microstructure-Sensitive Modeling Across Length Scales: An MPMD/SMD Symposium in Honor of David L. McDowell
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| Presentation Title |
Microstructure at the Atomic Scale |
| Author(s) |
William A. Curtin |
| On-Site Speaker (Planned) |
William A. Curtin |
| Abstract Scope |
In mechanics of materials, we frequently deal with heterogeneous materials such as fiber-reinforced composites, polycrystalline alloys, and toughened ceramics. We often seek a macroscopic description via “homogenization” where heterogeneity at some smaller scales is swept away. However, many key material properties are determined by defects, and the heterogeneity around local defects cannot be averaged away. The interplay between defects, stress singularities, and local material structure/properties thus presents a rich conceptual area with immense practical importance. Here we discuss how to approach atomistic defects in complex alloys using ideas from homogenization and fluctuations, in spite of the fact that the atom scale is always smaller than the defect scale. This framework then enables the formulation of theoretical models that are sufficiently predictive to guide experimental materials scientists toward discovery of promising alloys for technological applications. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, High-Entropy Alloys, Mechanical Properties |