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Tischler, Jon

Publications and source records attributed to Tischler, Jon.

Demonstrating Cross-Facility Data Processing at Scale with Laue Microdiffraction

In February and April 2023 live, at-scale data processing demonstrations were conducted between the Advanced Photon Source (APS), a synchrotron light source, and the Argonne Leadership Computing Facility (ALCF). These tests were run as part of a novel beamline technique: coded aperture laue micro-diffraction. This technique requires a significant amount of compute to decode appeture patterns embedded in the detector stream. An autonomous system was able to send data to ALCF during an experiment, utilize 50 nodes of the Polaris supercomputer to process 6-12 hour scans, and return the data back to the APS within 12-15 minutes behind the detector. With scan points arriving every 72 seconds, the system kept up with the beamline, potentially enabling in-experiment analysis. The data processing system utilizes Globus infrastructure and an on-demand queue to dynamically acquire nodes on Polaris. The underlying reconstruction algorithms were parallelized via MPI and accelerated with custom CUDA kernels.

Prince, Michael↗

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local residual stresses and microstructure within recrystallizing grains in iron

The intragranular strains and the microstructure within recrystallizing grains in single phase pure iron have been systematically studied in 3D using synchrotron micro-diffraction. In contradiction to common knowledge we observe that residual elastic strains of up to 1–2 × 10 –3 are present in the recrystallizing grains. The local strain variations within individual grains can be similar in magnitude to those between different grains. The effects of processing parameters, including rolling reduction, recrystallized volume fraction, and cooling rate, as well as microstructural parameters, including grain size, orientation and internal misorientation, on the development of local residual elastic strains and microstructure have been quantified. It is suggested that the difference in local defect density between recrystallized grains and the surrounding deformed matrix, as well as the redistribution of medium to long-range residual stresses in the deformed grains, are the main reasons for the development of such strains in the recrystallized grains. The local residual stress levels are calculated and their possible impact on the mechanical properties and recrystallization processes are discussed.

36 MATERIALS SCIENCE↗

Discovery of davemaoite, CaSiO 3 -perovskite, as a mineral from the lower mantle

Calcium silicate perovskite, CaSiO 3 , is arguably the most geochemically important phase in the lower mantle, because it concentrates elements that are incompatible in the upper mantle, including the heat-generating elements thorium and uranium, which have half-lives longer than the geologic history of Earth. We report CaSiO 3 -perovskite as an approved mineral (IMA2020-012a) with the name davemaoite. The natural specimen of davemaoite proves the existence of compositional heterogeneity within the lower mantle. Furthermore, our observations indicate that davemaoite also hosts potassium in addition to uranium and thorium in its structure. Hence, the regional and global abundances of davemaoite influence the heat budget of the deep mantle, where the mineral is thermodynamically stable.

58 GEOSCIENCES↗

Combining Laue diffraction with Bragg coherent diffraction imaging at 34-ID-C

Measurement modalities in Bragg coherent diffraction imaging (BCDI) rely on finding a signal from a single nanoscale crystal object which satisfies the Bragg condition among a large number of arbitrarily oriented nanocrystals. However, even when the signal from a single Bragg reflection with ( hkl ) Miller indices is found, the crystallographic axes on the retrieved three-dimensional (3D) image of the crystal remain unknown, and thus localizing in reciprocal space other Bragg reflections becomes time-consuming or requires good knowledge of the orientation of the crystal. Here, the commissioning of a movable double-bounce Si (111) monochromator at the 34-ID-C endstation of the Advanced Photon Source is reported, which aims at delivering multi-reflection BCDI as a standard tool in a single beamline instrument. The new instrument enables, through rapid switching from monochromatic to broadband (pink) beam, the use of Laue diffraction to determine crystal orientation. With a proper orientation matrix determined for the lattice, one can measure coherent diffraction patterns near multiple Bragg peaks, thus providing sufficient information to image the full strain tensor in 3D. The design, concept of operation, the developed procedures for indexing Laue patterns, and automated measuring of Bragg coherent diffraction data from multiple reflections of the same nanocrystal are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

HIMU geochemical signature originating from the transition zone

Plume volcanism may sample mantle sources deeper than mid-ocean ridge and arc volcanism. Ocean island basalts (OIBs) are commonly related to plume volcanism, and their diverse isotopic and elemental compositions can be described using a limited number of mantle endmembers. However, the origins and depths of these mantle endmembers are highly debated. Here we show that the HIMU (high μ, μ = 238 U/ 204 Pb) endmember may reside in the transition zone. Specifically, we report the geochemical signature of a high-pressure multiphase diamond inclusion, entrapped at 420–440 km depth and 1450 ±50 K, which matches exactly the geochemical patterns of the HIMU-rich OIBs. Since the HIMU component is variably sampled by almost all OIBs, our finding implies that the transition zone causes a major overprint of the geochemical features of mantle plumes. Furthermore, some mantle plumes, like those feeding Bermuda, St Helena, Tubuai and Mangaia, appear to be dominated by this source. Furthermore, our finding highlights the importance of the transition zone in highly incompatible element budget of the mantle.

58 GEOSCIENCES↗

Materials Research with X-ray Micro-beams at the Advanced Photon Source

X-ray scattering has had a rich and prominent place in the history of materials research. For samples that are large single crystals, X-ray diffraction provides very detailed, high-quality information about the atomic structure of almost every kind. However, most engineering materials are not a large single crystal, but mixtures of materials or a poly-crystalline material. Still, X-ray diffraction using X-ray beams significantly larger than the structures being investigated has produced much excellent information. Examples of this are powder diffraction, texture analysis, strain analysis, etc. While these types of analyses have been very useful in providing a microscopic understanding, they do not provide the microscopic information that we really want. What we really want to have is this useful X-ray diffraction information for every volume element in our sample; not just the diffraction information about small volume elements, but all of the volume elements, exactly where they are in our sample, and how each one diffracts. Furthermore this detailed spatial and structural information is what is needed for a full understanding of the source of the properties that we find in engineering materials.

36 MATERIALS SCIENCE↗