view article
Figure 1
Overview of the simulations used to train Gaussian process regression (GPR) models for X-ray diffraction data analysis. The trained models are subsequently transferred to the target (experimental) domain to separate thermal and mechanical strain effects from experimental X-ray diffraction data. Temperature fields [T({\bf r},t)] and temperature-dependent properties [Young's modulus E(T), Poisson's ratio [\nu(T)] and coefficient of thermal expansion [\alpha(T)]] are used as input for thermomechanical modeling to predict evolving thermal [\varepsilon^{\rm T}({\bf r},t)] and elastic strains [{\boldvarepsilon}^{\rm E}({\bf r},t)]. These strains are used for input into X-ray diffraction simulations and GPR model training. The trained GPR models are then used for analysis of experimental data.

Journal logoFOUNDATIONS
ADVANCES
ISSN: 2053-2733
Volume 81| Part 2| March 2025|
https://doi.org/10.1107/S2053273325000403
Follow Acta Cryst. A
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS