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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Automation and AI in Space Drilling

Future planetary surface sampling missions, such as delving past the near-surface ice layers on Mars in search of organics and possibly signs of past/extant life, will require lightweight, low-mass planetary drilling and sample handling. Unlike terrestrial drills, these exploration drills must work dry (without drilling muds or gas), blind (no prior local or regional seismic or other surveys), and light (very low downward force or weight on bit, and perhaps 100 W available from solar power or batteries). Given the lightspeed transmission delays to Mars and outward, an exploratory planetary drill cannot be controlled directly from Earth. Drills that penetrate deeper than a few centimeters are likely to get stuck if operated open-loop (the MSL drill only penetrates 5 cm, and the MER Rock Abrasion Tools 5 mm by comparison), so some form of local drill control is required. In the relatively near-term, human crews cannot be presumed to be available for surface instrument teleoperation. Therefore highly automated drill and sample-transfer operations will be required, to explore the subsurface with the ability to safe robotic drilling systems and recover and continue on from the most probable fault conditions. Current automation, scheduling and diagnostic approaches will be discussed that roughly track the actions and roles of humans in terrestrial manual drilling operations.

drill automation↗
NASA NTRS2020

Fungal Exposure to Meteorite Thin Sections: Developing an Experimental to Observe Biogeochemical Changes

The Astromaterials Acquisition & Curation Office maintains collections of meteorite samples collected as part of the Antarctic Search for Meteorites (ANSMET) program. The chief goal of the curation department is to maintain these meteorites in pristine condition. The Astromaterials Research and Exploration Science (ARES) Directorate has implemented a microbial monitoring program for the meteorite collections that has resulted in the isolation of >100 fungal isolates [1], however it is currently unknown if these isolates could present danger to the collections through bioweathering or secretion of organic compounds. We grew a strain of Fusarium oxysporium isolated from nitrogen gas filters feeding the Meteorite Lab nitrogen gas in the presence of a H5 meteorite thin section to determine if this fungus has the capability of altering the mineral structure of this common meteorite. This first trial was to determine and understand the effects of Fusarium oxysporum growth on the iron content within H5 chondrites and evaluate what additional components are needed in the development of future trial runs. This experiment determined new considerations for handling samples, the nature of microscopic scans before and after the incubation period, and the quality of the samples utilized for the experiment. The results of this experiment were promising and warrant further investigation with a more refined process and timeline.

Barbre, K. S. R.↗
DOE OSTI2025

Preliminary Insights Into the Feasibility of Determining the Purification Date of Enriched Uranium by Direct Measurement of the 230 Th/ 234 U Ratio Using an All-Faraday Detector Configuration on the Neoma MC-ICP-MS

Rationale: Mass spectrometric measurement of the 230 Th/ 234 U ratio to calculate the purification age of enriched uranium is typically conducted via a combination of ion counters and faraday detectors, thus requiring an inter-detector calibration scheme. Here, our aim is to understand whether the pursuit of a simplified measurement scheme involving only faraday detectors is feasible. Methods: We investigate the possibility of determining U-Th model ages for two enriched uranium standards (NBL U630 and U850) by direct measurement of the 230 Th/ 234 U ratio (without chromatographic separation or isotope dilution) on a ThermoFisher Scientific Neoma MC-ICP-MS utilizing both solution and laser ablation (LA)-based sampling techniques and an all-faraday detector configuration. Results: For the solution mode analyses conducted on aliquots containing sub μg/mL total U, we produce composite average 230 Th/ 234 U model dates of May 19, 1988 (± 351 days), and March 26, 1961 (± 2.5 years) using the directly measured 230 Th/ 234 U ratios for the NBL U630 and U850 uranium standards, which have certified purification dates of June 6, 1988 (± 190 days), and December 31, 1957 (± 36.5 days), respectively. The ages produced by LA-based sampling of dried residues of the same standards deposited onto cotton TexWipes are less accurate and of poorer precision (June 23, 2004 ± 8.7 years for U630 and December 21, 1965 ± 7.9 years for U850) but still yield meaningful information in regards to the purification date. Conclusions: We believe that further refinement of the all faraday detector measurement approach to include development of a more robust Th/U relative sensitivity factor determination, signal cutoff selection, and data processing protocols will allow for this approach to be confidently applied to enriched uranium materials with unknown purification histories. Potential advantages of the method include the reduced sample handling and infrastructure requirements as well as the ability to simultaneously generate a broad picture of the uranium isotopic composition in tandem with the U-Th age determination.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Electron microscopy holdings of the Protein Data Bank: the impact of the resolution revolution, new validation tools, and implications for the future

Abstract As a discipline, structural biology has been transformed by the three-dimensional electron microscopy (3DEM) “Resolution Revolution” made possible by convergence of robust cryo-preservation of vitrified biological materials, sample handling systems, and measurement stages operating a liquid nitrogen temperature, improvements in electron optics that preserve phase information at the atomic level, direct electron detectors (DEDs), high-speed computing with graphics processing units, and rapid advances in data acquisition and processing software. 3DEM structure information (atomic coordinates and related metadata) are archived in the open-access Protein Data Bank (PDB), which currently holds more than 11,000 3DEM structures of proteins and nucleic acids, and their complexes with one another and small-molecule ligands (~ 6% of the archive). Underlying experimental data (3DEM density maps and related metadata) are stored in the Electron Microscopy Data Bank (EMDB), which currently holds more than 21,000 3DEM density maps. After describing the history of the PDB and the Worldwide Protein Data Bank (wwPDB) partnership, which jointly manages both the PDB and EMDB archives, this review examines the origins of the resolution revolution and analyzes its impact on structural biology viewed through the lens of PDB holdings. Six areas of focus exemplifying the impact of 3DEM across the biosciences are discussed in detail (icosahedral viruses, ribosomes, integral membrane proteins, SARS-CoV-2 spike proteins, cryogenic electron tomography, and integrative structure determination combining 3DEM with complementary biophysical measurement techniques), followed by a review of 3DEM structure validation by the wwPDB that underscores the importance of community engagement.

Burley, Stephen K. (ORCID:0000000224879713)↗
DOE OSTI2016

Pre-conceptual design activities for the materials plasma exposure experiment

The development of next step fusion facilities such as DEMO or a Fusion Nuclear Science Facility (FNSF) requires first closing technology gaps in a few critical areas. Understanding the material-plasma interface is necessary to enable the development of divertors for long-pulse plasma facilities. A pre-conceptual design for a proposed steady-state linear plasma device, the Materials Plasma Exposure Experiment (MPEX), is underway. A helicon plasma source along with ion cyclotron and electron Bernstein wave heating systems will produce ITER divertor relevant plasma conditions with steady-state parallel heat fluxes of up to 40 MW/m 2 with ion fluxes up to 10 24 /m 2 s on target. Current plans are for the device to use superconducting magnets to produce 1–2 T fields. As a steady-state device, active cooling will be required for components that interact with the plasma (targets, limiters, etc.), as well as for other plasma facing components (transport regions, vacuum tanks, diagnostic ports). Design concepts for the vacuum system, the cooling system, and the plasma heating systems have been completed. The device will include the capability for handling samples that have been neutron irradiated in order to consider the multivariate effects of neutrons, plasma, and high heat-flux on the microstructure of divertor candidate materials. A vacuum cask, which can be disconnected from the high field environment in order to perform in-vacuo diagnosis of the surface evolution is also planned for the facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

malbacR: A Package for Standardized Implementation of Batch Correction Methods for Omics Data

Mass spectrometry is a powerful tool for identifying and analyzing small molecules, such as metabolites and lipids, in com-plex biological samples. Liquid chromatography and gas chromatography mass spectrometry studies quite commonly in-volve large numbers of samples, which can require significant time for sample preparation and analyses. To accommodate such studies, the samples are commonly split into batches. Inevitably, variations in sample handling, temperature fluctua-tion, imprecise timing, column degradation and other factors result in systematic errors or biases of the measured abundances between the batches. Numerous methods are available via R packages to assist with batch correction for small molecule om-ics data; however, since these methods were developed by different research teams, the algorithms are available in separate R packages, each with different data input and output formats. We introduce the malbacR package which consolidates eleven common batch effect correction methods for small molecule omics data into one place so users can easily implement and compare: pareto scaling, power scaling, range scaling, ComBat, EigenMS, NOMIS, RUV-random, QC-RLSC, WaveI-CA2.0, TIGER, and SERRF. The malbacR package standardizes data input and output formats across these batch correction methods. The package works in conjunction with the pmartR package, allowing users to seamlessly include batch effect cor-rection in a pmartR workflow without needing any additional data manipulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantitative 14 N NMR with Monte Carlo Uncertainty Analysis of Nitrate/Nitrite in Alkaline Nuclear Waste

While monitoring of nitrate and nitrite concentrations is important for managing corrosion in nuclear waste systems, existing analytical methods are hindered by turbidity, spectral interference, and delays from sample handling. Here, we demonstrate quantitative 14 N nuclear magnetic resonance (qNMR) spectroscopy as a direct, matrix-tolerant approach for nitrate and nitrite detection at natural abundance. Monte Carlo resampling was integrated into the workflow to quantify random error, establish precision–time tradeoffs, and separate noise-limited uncertainty from systematic bias arising from shimming, transmitter offset, or excitation pulse conditions. Quantification of nitrate and nitrite were validated in controlled alkaline matrix challenges and in 18-component Hanford-type simulants. These results establish 14 N qNMR as a practical, uncertainty-bounded tool for monitoring redox-active nitrogen species in chemically complex environments and provide a generalizable framework for quantitative analysis of quadrupolar nuclei.

Graham, Trent R. [Pacific Northwest National Labor↗
DOE OSTI2021

Directly Probing the Fracture Behavior of Ultrathin Polymeric Films

Understanding fracture mechanics of ultrathin polymeric films is crucial for modern technologies, including semiconductor and coating industries. However, up to now, the fracture behavior of sub-100 nm polymeric thin films is rarely explored due to challenges in handling samples and limited testing methods available. In this work, we report a new testing methodology that can not only visualize the evolution of the local stress distribution through wrinkling patterns and crack propagation during the deformation of ultrathin films but also directly measure their fracture energies. Using ultrathin polystyrene films as a model system, we both experimentally and computationally investigate the effect of the film thickness and molecular weight on their fracture behavior, both of which show a ductile-to-brittle transition. Furthermore, we demonstrate the broad applicability of this testing method in semicrystalline semiconducting polymers. We anticipate our methodology described here could provide new ways of studying the fracture behavior of ultrathin films under confinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Imaging from Macro to Nanoscale: Multimodal Advances in Chemical and Biomedical Imaging

Imaging increasingly serves as a multiscale framework for linking molecular mechanisms to cellular behavior, tissue architecture, and organ phenotypes in biology and unraveling fundamental processes in chemistry, physics and materials science. This Perspective highlights recent advances in chemical and biomedical imaging across macro-, micro-, and nanoscales, using representative examples published in Chemical and Biomedical Imaging (CBMI). At the macroscale, we discuss chemically selective MRI, including endogenous and exogenous CEST strategies, together with photoacoustic imaging as a hybrid modality with functional and chemical contrast. At the microscale, we consider fluorescence, label-free optical and vibrational imaging, and selected X-ray approaches that expand sensitivity, specificity, and temporal resolution in biological and materials systems. At the nanoscale, we highlight super-resolution fluorescence microscopy, single-molecule methods, tip-enhanced Raman spectroscopy, and correlative imaging strategies that resolve local heterogeneity and molecular organization. Across scales, a common theme emerges that advances in probes, contrast mechanisms, instrumentation, and sample handling are enabling chemically informed imaging that connects molecular specificity with biological context.

multiscale imaging↗
DOE OSTI2025

Scalable fabrication of an array-type fixed-target device for automated room temperature X-ray protein crystallography

X-ray crystallography is one of the leading tools to analyze the 3-D structure, and therefore, function of proteins and other biological macromolecules. Traditional methods of mounting individual crystals for X-ray diffraction analysis can be tedious and result in damage to fragile protein crystals. Furthermore, the advent of multi-crystal and serial crystallography methods explicitly require the mounting of larger numbers of crystals. To address this need, we have developed a device that facilitates the straightforward mounting of protein crystals for diffraction analysis, and that can be easily manufactured at scale. Inspired by grid-style devices that have been reported in the literature, we have developed an X-ray compatible microfluidic device that can be used to trap protein crystals in an array configuration, while also providing excellent optical transparency, a low X-ray background, and compatibility with the robotic sample handling and environmental controls used at synchrotron macromolecular crystallography beamlines. At the Stanford Synchrotron Radiation Lightsource (SSRL), these capabilities allow for fully remote-access data collection at controlled humidity conditions. Furthermore, we have demonstrated continuous manufacturing of these devices via roll-to-roll fabrication to enable cost-effective and efficient large-scale production.

chemical engineering↗
DOE OSTI2023

A combinatorial droplet microfluidic device integrated with mass spectrometry for enzyme screening

Mass spectrometry (MS) enables detection of different chemical species with a very high specificity; however, it can be limited by its throughput. Integrating MS with microfluidics has a tremendous potential to improve throughput and accelerate biochemical research. In this work, we introduce Drop-NIMS, a combination of a passive droplet loading microfluidic device and a matrix-free MS laser desorption ionization technique called nanostructure-initiator mass spectrometry (NIMS). This platform combines different droplets at random to generate a combinatorial library of enzymatic reactions that are deposited directly on the NIMS surface without requiring additional sample handling. The enzyme reaction products are then detected with MS. Drop-NIMS was used to rapidly screen enzymatic reactions containing low (on the order of nL) volumes of glycoside reactants and glycoside hydrolase enzymes per reaction. MS “barcodes” (small compounds with unique masses) were added to the droplets to identify different combinations of substrates and enzymes created by the device. We assigned xylanase activities to several putative glycoside hydrolases, making them relevant to food and biofuel industrial applications. Overall, Drop-NIMS is simple to fabricate, assemble, and operate and it has potential to be used with many other small molecule metabolites.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Ischemia in tumors induces early and sustained phosphorylation changes in stress kinase pathways but does not affect global protein levels

Advances in quantitative mass spectrometry (MS)-based proteomics have sparked efforts to characterize the proteomes of tumor samples to provide complementary and unique information inaccessible by genomics. Tumor samples are usually not accrued with proteomic characterization in mind, raising concerns regarding effects of undocumented sample ischemia on protein abundance and phosphosite stoichiometry. Here we report the effects of cold ischemia time on clinical ovarian cancer samples and patient-derived basal and luminal breast cancer xenografts. Tumor tissues were excised and collected prior to vascular ligation, subjected to accurately defined ischemia times up to 60 min, and analyzed by quantitative proteomics and phosphoproteomics using isobaric tags and high-performance, multidimensional LC-MS/MS. No significant changes were detected at the protein level in each tumor type after 60 minutes of ischemia, and the majority of the >25,000 phosphosites detected were also stable. However, large, reproducible increases and decreases in protein phosphorylation at specific sites were observed in up to 24% of the phosphoproteome starting as early as 5 minutes post-excision. Early and sustained activation of stress response, transcriptional regulation and cell death pathways were observed in common across tumor types. Tissue-specific changes in phosphosite stability were also observed suggesting idiosyncratic effects of ischemia in particular lineages. Our study provides insights into the information that may be obtained by proteomic characterization of tumor samples after undocumented periods of ischemia, and suggests caution especially in interpreting activation of stress pathways in such samples as they may reflect sample handling rather than tumor physiology.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Ion beam analysis of fusion plasma-facing materials and components: facilities and research challenges

Following the IAEA Technical Meeting on 'Advanced Methodologies for the Analysis of Materials in Energy Applications Using Ion Beam Accelerators', our work reviews the current status of ion beam analysis (IBA) techniques and some aspects of ion-induced radiation damage in materials for the field of materials relevant to fusion. Available facilities, apparatus development, future research options and challenges are presented and discussed. The analysis of beryllium and radioactivity-containing samples from future experiments in JET or ITER represents not only an analytical but also a technical challenge. A comprehensive list of the facilities, their current status, and analytical capabilities comes alongside detailed descriptions of the labs. A discussion of future issues of sample handling and the current status of facilities at JET complete the technical section. To prepare the international IBA community for these challenges, the IAEA technical meeting finalizes the necessity for determining new nuclear reaction cross-sections and improving the inter-laboratory comparability by defining international standards and testing these via a round-robin test.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

The use of workflows in the design and implementation of complex experiments in macromolecular crystallography

A powerful and easy-to-use workflow environment has been developed at the ESRF for combining experiment control with online data analysis on synchrotron beamlines. This tool provides the possibility of automating complex experiments without the need for expertise in instrumentation control and programming, but rather by accessing defined beamline services. The automation of beam delivery, sample handling and data analysis, together with increasing photon flux, diminishing focal spot size and the appearance of fast-readout detectors on synchrotron beamlines, have changed the way that many macromolecular crystallography experiments are planned and executed. Screening for the best diffracting crystal, or even the best diffracting part of a selected crystal, has been enabled by the development of microfocus beams, precise goniometers and fast-readout detectors that all require rapid feedback from the initial processing of images in order to be effective. All of these advances require the coupling of data feedback to the experimental control system and depend on immediate online data-analysis results during the experiment. To facilitate this, a Data Analysis WorkBench (DAWB) for the flexible creation of complex automated protocols has been developed. Here, example workflows designed and implemented using DAWB are presented for enhanced multi-step crystal characterizations, experiments involving crystal reorientation with kappa goniometers, crystal-burning experiments for empirically determining the radiation sensitivity of a crystal system and the application of mesh scans to find the best location of a crystal to obtain the highest diffraction quality. Beamline users interact with the prepared workflows through a specific brick within the beamline-control GUI MXCuBE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The XFP (17-BM) beamline for X-ray footprinting at NSLS-II

Hydroxyl-radical mediated synchrotron X-ray footprinting (XF) is a powerful solution-state technique in structural biology for the study of macromolecular structure and dynamics of proteins and nucleic acids, with several synchrotron resources available to serve the XF community worldwide. The XFP (Biological X-ray Footprinting) beamline at the NSLS-II was constructed on a three-pole wiggler source at 17-BM to serve as the premier beamline for performing this technique, providing an unparalleled combination of high flux density broadband beam, flexibility in beam morphology, and sample handling capabilities specifically designed for XF experiments. The details of beamline design, beam measurements, and science commissioning results for a standard protein using the two distinct XFP endstations are presented here. XFP took first light in 2016 and is now available for general user operations through peer-reviewed proposals. Currently, beam sizes from 450 µm × 120 µm to 2.7 mm × 2.7 mm (FWHM) are available, with a flux of 1.6 × 10 16 photons s −1 (measured at 325 mA ring current) in a broadband (∼5–16 keV) beam. This flux is expected to rise to 2.5 × 10 16 photons s −1 at the full NSLS-II design current of 500 mA, providing an incident power density of >500 W mm −2 at full focus.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Fixed-target serial crystallography at the Structural Biology Center

Serial synchrotron crystallography enables the study of protein structures under physiological temperature and reduced radiation damage by collection of data from thousands of crystals. The Structural Biology Center at Sector 19 of the Advanced Photon Source has implemented a fixed-target approach with a new 3D-printed mesh-holder optimized for sample handling. The holder immobilizes a crystal suspension or droplet emulsion on a nylon mesh, trapping and sealing a near-monolayer of crystals in its mother liquor between two thin Mylar films. Data can be rapidly collected in scan mode and analyzed in near real-time using piezoelectric linear stages assembled in an XYZ arrangement, controlled with a graphical user interface and analyzed using a high-performance computing pipeline. Here, the system was applied to two β-lactamases: a class D serine β-lactamase from Chitinophaga pinensis DSM 2588 and L1 metallo-β-lactamase from Stenotrophomonas maltophilia K279a.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Verification Testing of ITER Nb 3 Sn Strand at the NHMFL

The large amount of Nb 3 Sn superconducting wire needed by ITER presents a significant challenge to ensure that all wires adhere to ITER specifications. The National High Magnetic Field Laboratory, USA performed verification tests for Nb 3 Sn strands used in ITER TF magnets. Converting a research laboratory into a large quantity testing facility presented many challenges in developing standard operating procedures for all the verification tests. Verification tests required by ITER include: unreacted-chrome-plated strand diameter, twist pitch and twist direction, chrome-plating thickness, unreacted-chrome-plated strand Cu-to-non-Cu volume ratio, residual resistivity ratio of Cr-plated strand (RRR), critical current at 4.22 K and 12 T (I c ), resistive transition index at 4.22 K and 12 T (n-value), and hysteresis loss per strand unit volume at 4.22 K over a ±3 T cycle. Additionally, due to the brittle nature of Nb 3 Sn superconducting wire, some samples were damaged in a controlled manner to explore the negative extremes of damage due to sample handling. Finally, we successfully completed the verification tests of ITER TF Nb 3 Sn strands made by US vendors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗