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DOE OSTI · 3012578

Unveiling nano-scale crystal deformation using coherent X-ray dynamical diffraction

Wu, Longlong [Chinese Academy of Sciences (CAS), Shanghai (China); Brookhaven National Laboratory (BNL), Upton, NY (United States)]·Yang, David [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000210627371)·Wang, Wei [Brookhaven National Laboratory (BNL), Upton, NY (United States); Univ. of Science and Technology of China, Hefei (China)]·Yoo, Shinjae [Brookhaven National Laboratory (BNL), Upton, NY (United States)]·Harder, Ross J. [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)]·Cha, Wonsuk [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)]·Li, Aiguo [Chinese Academy of Sciences (CAS), Shanghai (China)]·Robinson, Ian K. [Brookhaven National Laboratory (BNL), Upton, NY (United States); Univ. College London (United Kingdom)]
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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.

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Wu, Longlong [Chinese Academy of Sciences (CAS), Shanghai (China); Brookhaven National Laboratory (BNL), Upton, NY (United States)], Yang, David [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000210627371), Wang, Wei [Brookhaven National Laboratory (BNL), Upton, NY (United States); Univ. of Science and Technology of China, Hefei (China)], Yoo, Shinjae [Brookhaven National Laboratory (BNL), Upton, NY (United States)], Harder, Ross J. [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)], Cha, Wonsuk [Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)], Li, Aiguo [Chinese Academy of Sciences (CAS), Shanghai (China)], Robinson, Ian K. [Brookhaven National Laboratory (BNL), Upton, NY (United States); Univ. College London (United Kingdom)]. 2025-12-14. Unveiling nano-scale crystal deformation using coherent X-ray dynamical diffraction. https://doi.org/10.1038/s41524-025-01858-1

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