Unveiling Nano-scale Crystal Deformation using Coherent X-ray Dynamical Diffraction

TL;DR

This paper introduces an automatic differentiation-based method to accurately reconstruct three-dimensional local strain fields in large crystals using coherent X-ray dynamical diffraction, bridging nanoscale resolution with microscale crystal analysis.

Contribution

The study presents a novel reconstruction approach that integrates dynamical scattering theory with automatic differentiation for precise deformation field imaging in large crystals.

Findings

Successfully reconstructs 3D local strain in large crystals

Demonstrates accuracy with simulated and experimental data

Extends nanoscale deformation analysis to microscale crystals

Abstract

Visualization of internal deformation fields in crystalline materials helps bridge the gap between theoretical models and practical applications. Applying Bragg coherent diffraction imaging under X-ray dynamical diffraction conditions provides a promising approach to the longstanding challenge of investigating the deformation fields in micron-sized crystals. Here, we present an automatic differentiation-based reconstruction method that integrates dynamical scattering theory to accurately reconstruct deformation fields in large crystals. Using this forward model, our simulated and experimental results demonstrate that three-dimensional local strain information inside a large crystal can be accurately reconstructed under coherent X-ray dynamical diffraction conditions with Bragg coherent X-ray diffraction imaging. These findings open an avenue for extending the investigation of local deformation fields to microscale crystals while maintaining nanoscale resolution, leveraging the enhanced coherence and brightness of advanced X-ray sources.