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Register a new userData-driven approach for synchrotron X-ray Laue microdiffraction scan analysis
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We propose a novel data-driven approach for analyzing synchrotron Laue X-ray microdiffraction scans based on machine learning algorithms. The basic architecture and major components of the method are formulated mathematically. We demonstrate it through typical examples including polycrystalline BaTiO$_3$, multiphase transforming alloys and finely twinned martensite. The computational pipeline is implemented for beamline 12.3.2 at the Advanced Light Source, Lawrence Berkeley National Lab. The conventional analytical pathway for X-ray diffraction scans is based on a slow pattern by pattern crystal indexing process. This work provides a new way for analyzing X-ray diffraction 2D patterns, independent of the indexing process, and motivates further studies of X-ray diffraction patterns from the machine learning prospective for the development of suitable feature extraction, clustering and labeling algorithms.
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White beam x-ray Laue microdiffraction allows fast mapping of crystal orientation and strain fields in polycrystals, with a submicron spatial resolution in two dimensions. In the well crystallized parts of the grains, the analysis of Laue spot positions provides the local deviatoric strain tensor. The hydrostatic part of the strain tensor may also be obtained, at the cost of a longer measuring time, by measuring the energy profiles of the Laue spots using a variable-energy monochromatic beam. A new Rainbow method is presented, which allows measuring the energy profiles of the Laue spots while remaining in the white-beam mode. It offers mostly the same information as the latter monochromatic method, but with two advantages : i) the simultaneous measurement of the energy profiles and the Laue pattern; ii) the rapid access to energy profiles of a larger number of spots, for equivalent scans on the angle of the optical element. The method proceeds in the opposite way compared to a monochromator-based method, by simultaneously removing several sharp energy bands from the incident beam, instead of selecting a single one. It uses a diamond single crystal placed upstream of the sample. Each Laue diffraction by diamond lattice planes attenuates the corresponding energy in the incident spectrum. By rotating the crystal, the filtered-out energies can be varied in a controlled manner, allowing one to determine the extinction energies of several Laue spots of the studied sample. The energies filtered-out by the diamond crystal are obtained by measuring its Laue pattern with an other 2D detector, at each rotation step. This article demonstrates the feasibility of the method, and its validation through the measurement of a known lattice parameter.
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Spatio-temporally extended nonlinear systems often exhibit a remarkable complexity in space and time. In many cases, extensive datasets of such systems are difficult to obtain, yet needed for a range of applications. Here, we present a method to generate synthetic time series or fields that reproduce statistical multi-scale features of complex systems. The method is based on a hierarchical refinement employing transition probability density functions (PDFs) from one scale to another. We address the case in which such PDFs can be obtained from experimental measurements or simulations and then used to generate arbitrarily large synthetic datasets. The validity of our approach is demonstrated at the example of an experimental dataset of high Reynolds number turbulence.
Thick diffractive optical elements offer a promising way to achieve focusing or imaging at a resolution approaching 1 nm for X-ray wavelengths shorter than about 0.1 nm. Efficient focusing requires that these are fabricated with structures that vary in period and orientation so that rays obey Braggs law over the entire lens aperture and give rise to constructive interference at the focus. Here the analysis method of ray-tracing of thick diffractive optical elements is applied to such lenses to optimise their designs and to investigate their operating and manufacturing tolerances. Expressions are provided of the fourth-order series expansions of the wavefront aberrations and transmissions of both axi-symmetric lenses and pairs of crossed lenses that each focuses in only one dimension like a cylindrical lens. We find that aplanatic zone-plate designs, whereby aberrations are corrected over a large field of view, can be achieved by axi-symmetric lenses but not the crossed lenses. We investigate the performance of 1 nm-resolution lenses with focal lengths of about 1 mm and show their fields of view are mainly limited by the acceptance angle of Bragg diffraction, and that aberrations can limit the performance of lenses with longer focal lengths. We apply the ray-tracing formalism for a tolerancing analysis of imperfect lenses and examine some strategies for the correction of their aberrations.
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