Uncertainty Quantification and Experimental Design Using a Quantitative Forward Model for Kinematic X-Ray Diffraction

Joel Bernier | 20-ERD-044

Executive Summary

We are developing a simulation framework to model kinematic x-ray diffraction that includes the necessary physics and discretization schema to capture the effects of complex material states and instrumental constraints associated with measurements undertaken at extremes of pressure and temperature. This will facilitate more robust data analysis, rigorous uncertainty quantification for derived parameters such as density and temperature, and the optimal design of new platforms for the high-energy-density science that supports National Nuclear Security Administration missions.

Publications, Presentations, and Patents

Bernier, J., et al. 2020. "High Energy X-ray Diffraction Microscopy in Materials Science." Annual Review of Materials Research 50, 395-436. LLNL-JRNL-807385