About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Autonomous Platforms for Designing and Understanding Materials
|
| Presentation Title |
Robust reflection set matching for online phase identification from X-ray diffraction data |
| Author(s) |
Brian DeCost, Joseph Aroh, Austin McDannald, Howie Joress, Fan Zhang |
| On-Site Speaker (Planned) |
Brian DeCost |
| Abstract Scope |
Automated structural phase identification and cell estimation from powder-like X-ray diffraction is a challenge, particularly in a high throughput experimental setting where multiple phases, variation in lattice parameters due to alloying, and strong crystallographic texture challenge the robustness of existing methods. We design a robust randomized trial lattice indexing method that can naturally handle multiple constituent phases, large changes in lattice parameters, and many missing, overlapping, and impurity reflections. These attributes make our approach well-suited for rapid online analysis of high speed X-ray diffraction data collected over in situ solidification experiments, offering a path towards model-based dynamic experiment planning to systematically explore process-structure maps. |