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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Plug-and-play polymer microfluidic chips for hydrated, room temperature, fixed-target serial crystallography

The practice of serial X-ray crystallography (SX) depends on efficient, continuous delivery of hydrated protein crystals while minimizing background scattering. Of the two major types of sample delivery devices, fixed-target devices offer several advantages over widely adopted jet injectors, including: lower sample consumption, clog-free delivery, and the ability to control on-chip crystal density to improve hit rates. In this study we present our development of versatile, inexpensive, and robust polymer microfluidic chips for routine and reliable room temperature serial measurements at both synchrotrons and X-ray free electron lasers (XFELs). Our design includes highly X-ray-transparent enclosing thin film layers tuned to minimize scatter background, adaptable sample flow layers tuned to match crystal size, and a large sample area compatible with both raster scanning and rotation based serial data collection. The optically transparent chips can be used both for in situ protein crystallization (to eliminate crystal handling) or crystal slurry loading, with prepared samples stable for weeks in a humidified environment and for several hours in ambient conditions. Serial oscillation crystallography, using a multi-crystal rotational data collection approach, at a microfocus synchrotron beamline (SSRL, beamline 12-1) was used to benchmark the performance of the chips. Furthermore, high-resolution structures (1.3–2.7 Å) were collected from five different proteins – hen egg white lysozyme, thaumatin, bovine liver catalase, concanavalin-A (type VI), and SARS-CoV-2 nonstructural protein NSP5. Overall, our modular fabrication approach enables precise control over the cross-section of materials in the X-ray beam path and facilitates chip adaption to different sample and beamline requirements for user-friendly, straightforward diffraction measurements at room temperature.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Measurements of a 2.1 MeV H− beam with an Allison scanner

Transverse 2D phase space distributions of a 2.1 MeV, 5 mA H− beam are measured at the Proton Improvement Plan II Injector Test accelerator at Fermilab with an Allison scanner. This paper describes the design, calibration, and performance of the scanner along with the main results from beam measurements. Analyses of the recorded phase portraits are performed primarily in action-phase coordinates. The stability of the action under linear optics makes it easier to compare measurements taken under different beamline conditions. The amplitude of a single measured point (“pixel”) is proportional to the phase density in the corresponding portion of the beam. When the Twiss parameters are calculated using only the high-phase density part of the beam, the pixel amplitude in the beam core is found to be decreasing approximately exponentially with action and to be phase-independent. Outside of the core, the amplitudes decrease with action at a slower rate than in the core. This “tail” comprises 10%–30% of the beam, with 0.1% of the total measured intensity extending beyond action 10–20 times larger than the rms emittance. The transition from the core to the tail is accompanied by the appearance of two “branches” that are separated in phase and extend beyond the core. A set of selected measurements shows that there is no measurable emittance dilution along the beamline; the beam parameters are practically constant over a 0.5 ms pulse; and scraping in various parts of the beamline is an effective way to decrease the transverse tails by removing the branches.

Richard, C. (ORCID:000000029891135X)↗
DOE OSTI2020

Fast-current-heating devices to study in situ phase formation in metallic glasses by using high-energy synchrotron radiation

Details of fast-resistive-heating setups, controlled heating ranging from ~10 1 K s –1 to ~10 3 K s –1 , to study in situ phase transformations (on heating and on cooling) in metallic glasses by high-energy synchrotron x-ray diffraction are discussed here. Both setups were designed and custom built at the Leibniz Institute for Solid State and Materials Research Dresden (IFW Dresden) and have been implemented at the P02.1 Powder Diffraction and Total Scattering Beamline and the P21.1 Swedish Materials Science Beamline at PETRA III storage ring, DESY, Hamburg. The devices are interchangeable at both beamlines. Joule heating is triggered automatically and is timed with the incident beam and detector. The crystallization process can be controlled via a feedback circuit by monitoring the change in the time-dependent resistivity and temperature of glasses. Different ambient atmospheres, such as vacuum and inert gases (He and Ar), can be used to control oxidation and cooling. The main focus of these devices is on understanding the crystallization mechanism and kinetics in metallic glasses, which are brittle and for which fast heating gives defined glass–crystal composites with enhanced plasticity. As an example, phase-transformation sequence(s) in a prototyped Cu–Zr-based metallic glass is described on heating, and a crystalline phase beneficial to the plasticity is identified.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

The Complex, Unique, and Powerful Imaging Instrument for Dynamics (CUPI 2 D) at the Spallation Neutron Source (invited)

The Oak Ridge National Laboratory is planning to build the Second Target Station (STS) at the Spallation Neutron Source (SNS). STS will host a suite of novel instruments that complement the First Target Station’s beamline capabilities by offering an increased flux for cold neutrons and a broader wavelength bandwidth. A novel neutron imaging beamline, named the Complex, Unique, and Powerful Imaging Instrument for Dynamics (CUPI 2 D), is among the first eight instruments that will be commissioned at STS as part of the construction project. CUPI 2 D is designed for a broad range of neutron imaging scientific applications, such as energy storage and conversion (batteries and fuel cells), materials science and engineering (additive manufacturing, superalloys, and archaeometry), nuclear materials (novel cladding materials, nuclear fuel, and moderators), cementitious materials, biology/medical/dental applications (regenerative medicine and cancer), and life sciences (plant–soil interactions and nutrient dynamics). The innovation of this instrument lies in the utilization of a high flux of wavelength-separated cold neutrons to perform real time in situ neutron grating interferometry and Bragg edge imaging—with a wavelength resolution of δλ/λ ≈ 0.3%—simultaneously when required, across a broad range of length and time scales. This manuscript briefly describes the science enabled at CUPI 2 D based on its unique capabilities. The preliminary beamline performance, a design concept, and future development requirements are also presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Compact, portable, automatic sample changer stick for cryostats and closed-cycle refrigerators

Beamlines are facilities that produce and deliver highly focused and intense beams of radiation, typically x rays, synchrotron radiation, or neutrons, for scientific research purposes. Millions of dollars are spent annually to maintain and operate these scientific beamlines, oftentimes running continuously between cycles. To reduce human intervention and improve productivity, mechanical sample changers are often commissioned for use. Designing sample changers is difficult because mechanical parts can be bulky, expensive, and challenging to design for instruments with low volume access, high radiation, and cryogenic environments. We present a portable and inexpensive sample changer stick that can hold and manipulate up to four samples, specifically designed for use with cryogenic closed-cycle refrigerators. The sample changer stick enables rapid and efficient exchange of samples without manual intervention, and is compatible with standard sample mounts such as vanadium cans. The sample changer stick includes a motorized rotation and lancing mechanism, which enables the precise positioning of each sample in the neutron beam, while ensuring compatibility with the operating temperatures and vacuum conditions required for closed-cycle refrigerators. The design has been successfully tested at the VISION beamline at the Spallation Neutron Source. The mechanical action and software controls are detailed. Furthermore, the sample changer stick is a valuable tool for scientists working with cryogenic closed-cycle refrigerators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of X-ray Wavefront Sensing Techniques for Adaptive Optics Control at the Advanced Photon Source

The planning and construction of new and upgraded high-brightness X-ray synchrotron and free electron laser sources, such as the Advanced Photon Source upgrade project (APS-U), are driving numerous opportunities to advance X-ray science and technologies. At the same time, an increasing number of highly diverse beamline experiments demand wavefront-preserving adaptive X-ray optics with both high precision and flexibility. At the APS, significant effort has been devoted to developing next-generation adaptive and corrective optics combined with state-of-the-art at-wavelength wavefront sensing techniques and an intelligent feedback control system for the automation and self-alignment of beamline optical systems. This article reviews recent achievements in these areas at the APS. Further, these include the development of in-situ wavefront sensing, the application in active feedback control of ultra-precision deformable mirrors, and the exploration of non-invasive wavefront sensing techniques for adaptive optics and beamline diagnostics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Opportunities of Soft Materials Research at Advanced Photon Source

The storage ring of the Advanced Photon Source (APS) will be upgraded to a fourth-generation ring after more than two decades of operation. During its operation as a 7 GeV ring, scattering beamlines have been built to support soft matter research programs to take advantage of the high flux and high energy beam provided by the ring. Further, the 6 GeV multi-bend achromat storage ring installed by the APS-Upgrade (APS-U) will provide new opportunities for the scattering beamlines. In this news, activities of those APS beamlines in conjunction with the APS-U will be briefly reviewed along with some recent technical highlights of their soft matter research programs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

hpMCA: A Python-based Graphical Program for Energy Dispersive X-Ray Diffraction Data Collection and Analysis

Energy-dispersive X-ray diffraction (EDXD) at synchrotron beamlines is commonly used for the study of material properties under high pressure and/or high temperature. Experimenters typically rely on the availability of robust data collection and analysis at a beamline, but this has become increasingly difficult, especially with the introduction of multi-element detectors that generate complex, multi-dimensional data sets. These data sets have energy resolution, and they can also be resolved in relation to sample position, diffraction angle, or different external stimuli. We report a new Python-based graphical program, hpMCA, for EDXD data collection and analysis that streamlines the experimental process for the beamline users. The program features a user-friendly interface, capability for online viewing and analyzing data from multi-element energy-dispersive detectors, and includes features useful for working with samples under high pressure and/or high temperature, such as crystal phase identification, real-time unit cell lattice refinement, and pressure determination based on an equation of state.

data analysis software↗
DOE OSTI2020

Hard X-ray Fluorescence measurements with TESs at the Advanced Photon Source

Transition Edge Sensor (TES) spectrometers for hard X-ray beamline science will enable improved X-ray emission and absorption spectroscopy in the information-rich 2 to 20keV energy range. We are building a TES-based instrument for time Advanced Photon Source (APS) synchrotron, to be made available to beamline users. 24-pixel prototype arrays have recently been fabricated and tested. the first, spectroscopy measurements using these arrays are promising, with a best single-pixel energy resolution of 11.2 eV and saturation energy > 20 keV. We present a series of recent X-ray Fluorescence measurements involving transition metal elements and multi-element samples with closely spaced emission lines, in particular a Cu-Ni-Co thin film and a foil of Cu and Hf, The TES-measured spectra are directly compared to spectra measured with silicon drift detectors at an APS beamline, demonstrating the improved X-ray science made possible by TES spectrometers.

Guruswamy, Tejas↗
DOE OSTI2025

VISION: a modular AI assistant for natural human-instrument interaction at scientific user facilities

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an x-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instruments and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex—a synthetic extension to the cognition of scientists—may radically transform scientific practice and discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling and design of compact, permanent-magnet transport systems for highly divergent, broad energy spread laser-driven proton beams

Laser-driven (LD) ion acceleration has been explored in a newly constructed short focal length laser beamline at the BELLA petawatt facility (interaction point 2, iP2). For applications utilizing such LD ion beams, a beam transport system is required, which for reasons of compactness be ideally contained within 3 m. While they are generated from a micron-scale source, large divergence and energy spread of LD ion beams present a unique challenge to transporting them compared to beams from conventional accelerators. This study gives an overview of proposed compact transport designs using permanent magnets satisfying different requirements depending on the application for the iP2 laser beamline such as radiation biology, material science, and high-energy density science. These designs are optimized for different parameters such as energy spread and peak proton density according to the application’s need. The various designs consist solely of permanent magnet elements, which can provide high magnetic field gradients on a small footprint. While the field strengths are fixed, we have shown that the beam size is able to be tuned effectively by varying the placement of the magnets. The performance of each design was evaluated based on high-order particle tracking simulations of typical LD proton beams. We also examine the ability of certain configurations to tune and select beam energies, critical for specific applications. A more detailed investigation was carried out for a design to deliver 10 MeV LD accelerated ions for radiation biology applications. With these transport system designs, the iP2 laser beamline is ready to house various application experiments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Demonstration of neutron time-of-flight diffraction with an event-mode imaging detector

Neutron diffraction beamlines have traditionally relied on deploying large detector arrays of 3 He tubes or neutron-sensitive scintillators coupled with photomultipliers to efficiently probe crystallographic and microstructure information of a given material. Given the large upfront cost of custom-made data acquisition systems and the recent scarcity of 3 He, new diffraction beamlines or upgrades to existing ones demand innovative approaches. This paper introduces a novel Timepix3-based event-mode imaging neutron diffraction detector system as well as first results of a silicon powder diffraction measurement made at the HIPPO neutron powder diffractometer at the Los Alamos Neutron Science Center. Notably, these initial measurements were conducted simultaneously with the 3 He array on HIPPO, enabling direct comparison. Data reduction for this type of data was implemented in the MAUD code, enabling Rietveld analysis. Results from the Timepix3-based setup and HIPPO were benchmarked against McStas simulations, showing good agreement for peak resolution. With further development, systems such as the one presented here may substantially reduce the cost of detector systems for new neutron instrumentation as well as for upgrades of existing beamlines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Focusing a round coherent beam by spatial filtering the horizontal source

This paper illustrates the use of spatial filtering with a horizontal slit near the source to enlarge the horizontal coherence in an experimental station and produce a diffraction-limited round focus at an insertion device beamline for X-ray photon correlation spectroscopy experiments. Simple expressions are provided to guide the optical layout, and wave propagation simulations confirm their applicability. The two-dimensional focusing performance of Be compound refractive lenses to produce a round diffraction-limited focus at 11 keV capable of generating a high-contrast speckle pattern of an aerogel sample is demonstrated. The coherent scattering patterns have comparable speckle sizes in both horizontal and vertical directions. The focal spot sizes are consistent with hybrid ray-tracing calculations. Producing a two-dimensional focus on the sample can be helpful to resolve speckle patterns with modern pixel array detectors with high visibility. This scheme has now been in use since 2019 for the 8-ID beamline at the Advanced Photon Source, sharing the undulator beam with two separate beamlines, 8-ID-E and 8-ID-I at 7.35 keV, with increased partially coherent flux, reduced horizontal spot sizes on samples, and good speckle contrast.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Tools for supporting solution scattering during the COVID-19 pandemic

During the COVID-19 pandemic, synchrotron beamlines were forced to limit user access. Performing routine measurements became a challenge. At the Life Science X-ray Scattering (LiX) beamline, new instrumentation and mail-in protocols have been developed to remove the access barrier to solution scattering measurements. Our efforts took advantage of existing instrumentation and coincided with the larger effort at NSLS-II to support remote measurements. Given the limited staff–user interaction for mail-in measurements, additional software tools have been developed to ensure data quality, to automate the adjustments in data processing, as users would otherwise rely on the experience of the beamline staff, and produce a summary of the initial assessments of the data. This report describes the details of these developments.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Robotic sample changers for macromolecular X-ray crystallography and biological small-angle X-ray scattering at the National Synchrotron Light Source II

In this work, we present two robotic sample changers integrated into the experimental stations for the macromolecular crystallography (MX) beamlines AMX and FMX, and the biological small-angle scattering (bioSAXS) beamline LiX. They enable fully automated unattended data collection and remote access to the beamlines. The system designs incorporate high-throughput, versatility, high-capacity, resource sharing and robustness. All systems are centered around a six-axis industrial robotic arm coupled with a force torque sensor and in-house end effectors (grippers). They have the same software architecture and the facility standard EPICS-based BEAST alarm system. The MX system is compatible with SPINE bases and Unipucks. It comprises a liquid nitrogen dewar holding 384 samples (24 Unipucks) and a stay-cold gripper, and utilizes machine vision software to track the sample during operations and to calculate the final mount position on the goniometer. The bioSAXS system has an in-house engineered sample storage unit that can hold up to 360 samples (20 sample holders) which keeps samples at a user-set temperature (277 K to 300 K). The MX systems were deployed in early 2017 and the bioSAXS system in early 2019.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Real-time streaming tomographic reconstruction with on-demand data capturing and 3D zooming to regions of interest

Complex dynamic tomographic experiments at brilliant X-ray light sources require real-time feedback on the sample changes with respect to environmental conditions, selecting representative regions of interest for high-resolution scanning, and on-demand data saving mechanisms for storing only relevant projections acquired by fast area detectors and reducing data volumes. Here the implementation details of a 3D real-time imaging monitoring instrument, with zooming to a volume of interest with easy-to-use visualization via ImageJ , a tool familiar to most beamline users, is presented. The instrument relies on optimized data flow between the detector and processing machines and is implemented on commodity computers. The instrument has been developed at beamline 2-BM of the Advanced Photon Source, where the automatic lens changing mechanism for zooming is implemented with an Optique Peter microscope. Performance tests demonstrate the ability to process more than 3 GB of projection data per second and generate real-time 3D zooming with different magnification. These new capabilities are essential for new APS Upgrade instruments such as the projection microscope under development at beamline 32-ID. The efficacy of the proposed instrument was demonstrated during an in situ tomographic experiment on ice and gas hydrate formation in porous samples.

3D zooming↗
DOE OSTI2024

Efficient end-to-end simulation of time-dependent coherent X-ray scattering experiments

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop ( SRW ) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Increased spatial coherence length from an asymmetric crystal reflection at grazing exit

Coherent X-ray imaging is an active field at synchrotron sources. The images rely on the available coherent flux over a limited field of view. At many synchrotron beamlines a double-crystal monochromator (DCM) is employed in a standard nondispersive arrangement. For coherent diffraction imaging it is advantageous to increase the available field of view by increasing the spatial coherence length (SCL) of a beam exiting such a DCM. Here, Talbot interferometry data together with ray-tracing simulations for a (+ − − +) four-reflection experimental arrangement are presented, wherein the first two reflections are in the DCM and the final fourth reflection is asymmetric at grazing exit. Analyses of the interferometry data combined with the simulations show that compared with the beam exiting the DCM a gain of 76% in the SCL was achieved, albeit with a factor of 20 reduction in flux density, which may not be a severe penalty at a synchrotron beamline. Previous efforts reported in the literature to increase the SCL that employed asymmetric crystal diffraction at grazing incidence are also discussed. A much reduced SCL is found presently in simulations wherein the same asymmetric crystal is set for grazing incidence instead of grazing exit. In addition, the present study is compared and contrasted with two other means of increasing the SCL. These are (i) focusing the beam onto an aperture to act as a secondary source, and (ii) allowing the beam to propagate in vacuum an additional distance along the beamline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗