New 4^(th)-generation synchrotron sources,with their increased bilince,promise to greatly improve the performances of coherent X-ray microscopy.This perspective is of major interest for crystal microscopy,which aims a...New 4^(th)-generation synchrotron sources,with their increased bilince,promise to greatly improve the performances of coherent X-ray microscopy.This perspective is of major interest for crystal microscopy,which aims at revealing the 3D crystalline structure of matter at the nanoscale,an approach strongly limited by the available coherent flux.Our results,based on Bragg ptychography experiments performed at the frst 4-generation synchrotron source,demonstrate the possibility of retrieving a high-quality image of the crystalline sample,with unprecedented quality.Importantly,the larger available coherent flux produces datasets with enough information to overcome experimental limitations,such as strongly deteriorated scanning conditions.We show this achievement would not be posible with 30-generation sources,a limit that has inhibited the development of this otherwise powerful microscopy method,so far.Hence,the advent of next-generation synchrotron sources not only makes Bragg ptychography suitable for high throughput studies but also strongly relaxes the associated experimental constraints,making it compatible with a wider range of experimental set-ups at the new synchrotrons.展开更多
We present Parameter Quantification Network(PQ-Net),a regression deep convolutional neural network providing quantitative analysis of powder X-ray diffraction patterns from multi-phase systems.The network is tested ag...We present Parameter Quantification Network(PQ-Net),a regression deep convolutional neural network providing quantitative analysis of powder X-ray diffraction patterns from multi-phase systems.The network is tested against simulated and experimental datasets of increasing complexity with the last one being an X-ray diffraction computed tomography dataset of a multi-phase Ni-Pd/CeO_(2)-ZrO_(2)/Al_(2)O_(3) catalytic material system consisting of ca.20,000 diffraction patterns.It is shown that the network predicts accurate scale factor,lattice parameter and crystallite size maps for all phases,which are comparable to those obtained through full profile analysis using the Rietveld method,also providing a reliable uncertainty measure on the results.The main advantage of PQNet is its ability to yield these results orders of magnitude faster showing its potential as a tool for real-time diffraction data analysis during in situ/operando experiments.展开更多
基金the European Research Council(European Union’s Horizon H2020 research and innovation program grant agreements No 724881Research conducted at MAX IV is supported by the Swedish Research Council under Contract 2018-07152the Swedish Governmental Agency for Innovation Systems under Contract 2018-04969,and Formas under Contraa 2019-02496.
文摘New 4^(th)-generation synchrotron sources,with their increased bilince,promise to greatly improve the performances of coherent X-ray microscopy.This perspective is of major interest for crystal microscopy,which aims at revealing the 3D crystalline structure of matter at the nanoscale,an approach strongly limited by the available coherent flux.Our results,based on Bragg ptychography experiments performed at the frst 4-generation synchrotron source,demonstrate the possibility of retrieving a high-quality image of the crystalline sample,with unprecedented quality.Importantly,the larger available coherent flux produces datasets with enough information to overcome experimental limitations,such as strongly deteriorated scanning conditions.We show this achievement would not be posible with 30-generation sources,a limit that has inhibited the development of this otherwise powerful microscopy method,so far.Hence,the advent of next-generation synchrotron sources not only makes Bragg ptychography suitable for high throughput studies but also strongly relaxes the associated experimental constraints,making it compatible with a wider range of experimental set-ups at the new synchrotrons.
基金We would like to thank Marco di Michiel(ID15A,ESRF)and Jakub Drnec(ID31,ESRF)for preparing beamline instrumentation and setup and for their help with the experimental XRD-CT data acquisition.We acknowledge ESRF for beamtime.Finden acknowledges funding through the Innovate UK Analysis for Innovators(A4i)program(Project No:106107)A.M.B.acknowledges EPSRC(grants EP/R026815/1 and EP/S016481/1).
文摘We present Parameter Quantification Network(PQ-Net),a regression deep convolutional neural network providing quantitative analysis of powder X-ray diffraction patterns from multi-phase systems.The network is tested against simulated and experimental datasets of increasing complexity with the last one being an X-ray diffraction computed tomography dataset of a multi-phase Ni-Pd/CeO_(2)-ZrO_(2)/Al_(2)O_(3) catalytic material system consisting of ca.20,000 diffraction patterns.It is shown that the network predicts accurate scale factor,lattice parameter and crystallite size maps for all phases,which are comparable to those obtained through full profile analysis using the Rietveld method,also providing a reliable uncertainty measure on the results.The main advantage of PQNet is its ability to yield these results orders of magnitude faster showing its potential as a tool for real-time diffraction data analysis during in situ/operando experiments.
