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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

RUScal : Software for the analysis of resonant ultrasound spectroscopy measurements

Resonant ultrasound spectroscopy is used to nondestructively measure the elastic resonances of small solids to elucidate the material's elastic properties or other qualities like size, shape, or composition. In this work, we introduce the software RUScal for the purpose of determining elastic properties by analyzing the eigenfrequencies of solid specimens with common shapes, such as rectangular parallelepipeds, cylinders (solid and hollow tube), ellipsoids, and octahedrons, as well as irregularly shaped ellipsoids that can be described analytically. All symmetry classes are supported, from isotropic to triclinic, along with the option to add or remove up to three orthogonal mirror planes as well as the ability to reorient the crystal axes with respect the sample edges via Euler angles. Additional features include tools to help find initial sets of elastic constants, including grid exploration and Monte Carlo methods, a tool to analyze frequencies as a function of sample length or crystal orientation, an error analysis tool to assess fit quality, and formatting of the input and output files for batch fitting, e.g., as a function of temperature. This software was validated with published resonant ultrasound spectroscopy data for various materials, shapes, and symmetries with noted improvements in calculation time compared to finite element methods.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Resonant ultrasound spectroscopy probe for in-situ neutron scattering measurements

Resonant ultrasound spectroscopy (RUS) is an efficient, nondestructive technique to study the elastic properties of solids. A low-temperature (2-300 K) probe has been assembled and tested at the NOMAD beamline at the Spallation Neutron Source at Oak Ridge National Laboratory to assess the probe's neutronic properties, data acquisition system, and compatibility with existing sample environment. A case study on a bulk metallic glass, La 65 Cu 20 Al 10 Co 5, served to benchmark both hardware and software developments. The elastic constants of the metallic glass were determined as a function of temperature between 4 and 300 K and were used to guide neutron diffraction measurements at NOMAD. Tracking of a specific RUS peak center frequency and width enabled live monitoring of the sample temperature evolution that lagged thermometry by upwards of 40 K near room temperature. Assembly of a high-temperature (300-875 K) probe is underway and both probes are scheduled to be available to users by late-2021. Our aim is to provide users with live monitoring of an intrinsic variable at the neutron scattering beamlines, in addition to existing controls, to monitor the state of their samples and its elastic moduli and make informed decisions in real time.

Torres, James↗
DOE OSTI2022

Deconvolution of metal apportionment in bulk metal-organic frameworks

We report a general route to decipher the apportionment of metal ions in bulk metal-organic frameworks (MOFs) by solid-state nuclear magnetic resonance spectroscopy. We demonstrate this route in Mg 1-x Ni x -MOF-74, where we uncover all eight possible atomic-scale Mg/Ni arrangements through identification and quantification of the distinct chemical environments of 13 C-labeled carboxylates as a function of the Ni content. Here, we use magnetic susceptibility, bond pathway, and density functional theory calculations to identify local metal bonding configurations. The results refute the notion of random apportionment from solution synthesis; rather, we reveal that only two of eight Mg/Ni arrangements are preferred in the Ni-incorporated MOFs. These preferred structural arrangements manifest themselves in macroscopic adsorption phenomena as illustrated by CO/CO 2 breakthrough curves. We envision that this nondestructive methodology can be further applied to analyze bulk assembly of other mixed-metal MOFs, greatly extending the knowledge on structure-property relationships of MOFs and their derived materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Imaging beyond the surface region: Probing hidden materials via atomic force microscopy

Probing material properties at surfaces down to the single-particle scale of atoms and molecules has been achieved, but high-resolution subsurface imaging remains a nanometrology challenge due to electromagnetic and acoustic dispersion and diffraction. The atomically sharp probe used in scanning probe microscopy (SPM) has broken these limits at surfaces. Subsurface imaging is possible under certain physical, chemical, electrical, and thermal gradients present in the material. Of all the SPM techniques, atomic force microscopy has entertained unique opportunities for nondestructive and label-free measurements. Here, we explore the physics of the subsurface imaging problem and the emerging solutions that offer exceptional potential for visualization. We discuss materials science, electronics, biology, polymer and composite sciences, and emerging quantum sensing and quantum bio-imaging applications. The perspectives and prospects of subsurface techniques are presented to stimulate further work toward enabling noninvasive high spatial and spectral resolution investigation of materials including meta- and quantum materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

High-throughput single-cell sorting by stimulated Raman-activated cell ejection

Raman-activated cell sorting isolates single cells in a nondestructive and label-free manner, but its throughput is limited by small spontaneous Raman scattering cross section. Coherent Raman scattering integrated with microfluidics enables high-throughput cell analysis, but faces challenges with small cells (<3 μm) and tissue sections. Here, we report stimulated Raman-activated cell ejection (S-RACE) that enables high-throughput single-cell sorting by integrating stimulated Raman imaging, in situ image decomposition, and laser-induced cell ejection. S-RACE allows ejection of live bacteria or fungi guided by their Raman signatures. Furthermore, S-RACE successfully sorted lipid-richRhodotorula glutiniscells from a cell mixture with a throughput of ~13 cells per second, and the sorting results were confirmed by downstream quantitative polymerase chain reaction. Beyond single cells, S-RACE shows high compatibility with tissue sections. Incorporating a closed-loop feedback control circuit further enables real-time SRS imaging-identification-ejection. In summary, S-RACE opens exciting opportunities for diverse single-cell sorting applications.

Science & Technology - Other Topics↗
DOE OSTI2022

Three-dimensional visualization of nanoparticle lattices and multi-material frameworks

We report advances in nanoscale self-assembly have enabled the formation of complex nanoscale architectures. However, the development of self-assembly strategies toward bottom-up nanofabrication is impeded by challenges in revealing these structures volumetrically at the single-component level and with elemental sensitivity. Leveraging advances in nano-focused hard x-rays, DNA-programmable nanoparticle assembly, and nanoscale inorganic templating, we demonstrate nondestructive three-dimensional imaging of complexly organized nanoparticles and multimaterial frameworks. In a three-dimensional lattice with a size of 2 micrometers, we determined the positions of about 10,000 individual nanoparticles with 7-nanometer resolution, and identified arrangements of assembly motifs and a resulting multimaterial framework with elemental sensitivity. The real-space reconstruction permits direct three-dimensional imaging of lattices, which reveals their imperfections and interfaces and also clarifies the relationship between lattices and assembly motifs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Classification of Semiconductors Using Photoluminescence Spectroscopy and Machine Learning

Photoluminescence spectroscopy is a nondestructive optical method that is widely used to characterize semiconductors. In the photoluminescence process, a substance absorbs photons and emits light with longer wavelengths via electronic transitions. This paper discusses a method for identifying substances from their photoluminescence spectra using machine learning, a technique that is efficient in making classifications. Neural networks were constructed by taking simulated photoluminescence spectra as the input and the identity of the substance as the output. Here, six different semiconductors were chosen as categories: gallium oxide (Ga 2 O 3 ), zinc oxide (ZnO), gallium nitride (GaN), cadmium sulfide (CdS), tungsten disulfide (WS 2 ), and cesium lead bromide (CsPbBr 3 ). The developed algorithm has a high accuracy (>90%) for assigning a substance to one of these six categories from its photoluminescence spectrum and correctly identified a mixed Ga 2 O 3 /ZnO sample.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Spatially Resolved Raman Spectroscopic Investigation of Uranyl Fluoride: A Case Study in the Importance of Instrument Optimization

Raman spectroscopy is an emerging technique for rapid and nondestructive analysis of nuclear materials for forensic and nonproliferation applications as it is a powerful tool for distinguishing multiple chemical forms of materials with similar stoichiometries. Recent developments in spectroscopic software have enabled rapid data collection with high-speed Raman spectroscopic mapping capabilities. However, some uranium-rich materials are susceptible to degradation in humid air and/or laser-induced phase transformations. To mitigate environmental or measurement-related sample degradation of potential samples of interest, we have taken a systematic approach to define optimized data collection parameters for high-throughput measurements of uranyl fluoride (UO 2 F 2 ), which is an important intermediate material in the nuclear fuel cycle. First, we systematically describe the influence of optical magnification (5× to 100×), laser power, and exposure time on obtained signal for identical particles of UO 2 F 2 and find that at low laser power and exposure times, comparable signal is obtained regardless of optical magnification. Second, we ensure sample integrity during data collection, and third, collect spectroscopic maps that employ optimized parameters to reduce the time required to obtain spatially resolved spectroscopic information. Reductions of 90% and 99% in measurement times are discussed as they relate to differences in resolving spectroscopic features of particles in identical mapping areas. Finally, during this work, we found that additional data processing options were needed and thus developed a customized Python script for importing, processing, analyzing, and visualizing Raman spectroscopic map data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Experimental investigation of heat treatments on the mechanical performance of grade 300 maraging steel strut-based lattices

Lightweight and strong components are essential for reducing energy consumption and enhancing efficiency. Lattice structures are one such geometry utilized to achieve weight reduction. This study investigates the mechanical properties of various lattice structures fabricated from Maraging Steel (EOS MS1) using the Direct Metal Laser Sintering (DMLS) method. The samples include three distinct cellular geometries: body-centered cubic (BCC), face-centered cubic (FCC), and octet truss configurations, which are subjected to tensile and compressive tests. The primary goal of this research is to evaluate the impact of heat treatment on the mechanical properties of cellular architecture under tensile and compressive loading conditions. Destructive, nondestructive testing, and simulation results were also obtained from different heat treatment processes. It was found that the age-hardened specimens performed the best overall in terms of ultimate tensile/compressive strength and elongation. The top-performing topologies in compression and tension were found to be the octet structure, as they were able to withstand the most loading and straining when compared to the other specimens.

Engineering↗
DOE OSTI2023

Three-dimensional nanoscale reduced-angle ptycho-tomographic imaging with deep learning (RAPID)

X-ray ptychographic tomography is a nondestructive method for three dimensional (3D) imaging with nanometer-sized resolvable features. The size of the volume that can be imaged is almost arbitrary, limited only by the penetration depth and the available scanning time. Here we present a method that rapidly accelerates the imaging operation over a given volume through acquiring a limited set of data via large angular reduction and compensating for the resulting ill-posedness through deeply learned priors. The proposed 3D reconstruction method “RAPID” relies initially on a subset of the object measured with the nominal number of required illumination angles and treats the reconstructions from the conventional two-step approach as ground truth. It is then trained to reproduce equal fidelity from much fewer angles. After training, it performs with similar fidelity on the hitherto unexamined portions of the object, previously not shown during training, with a limited set of acquisitions. In our experimental demonstration, the nominal number of angles was 349 and the reduced number of angles was 21, resulting in a x140 aggregate speedup over a volume of 4.48 x 93.18 x 3.92 μm 3 and with (14nm) 3 feature size, i.e. ~ 10 8 voxels. RAPID’s key distinguishing feature over earlier attempts is the incorporation of atrous spatial pyramid pooling modules into the deep neural network framework in an anisotropic way. We found that adjusting the atrous rate improves reconstruction fidelity because it expands the convolutional kernels’ range to match the physics of multi-slice ptychography without significantly increasing the number of parameters.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Comparison and investigation of production of specific nuclides by different fission yield data

Generally, passive gamma spectroscopy (PGS) is known as a useful technique for nondestructive measurement of burnup and nuclide production in normal spent nuclear fuel. However, PGS can be used not only for normal spent fuel, but also for molten fuel generated in severe accidents involving core meltdowns. In such cases, it is estimated by the radioactivity ratios of specific nuclides. At the time of the decommissioning of the Three Mile Island's unit 2 reactor, fission products (FPs) such as Cs{sup 134}, Cs{sup 137}, Ce{sup 144}, Eu{sup 154}, Ru{sup 106}, and Sb{sup 125} were concerned. The radioactivity ratios are estimated by numerical simulations. However, there are various uncertainties in numerical simulations. In this study, we evaluated the effect of the difference in fission yield data. We compared the productions of concerned nuclides of Three Mile Island's unit 2 reactor by using Tokyo-tech and JENDL FP Fission Yields Data File 2011(FPY- 2011). Tokyo-tech is newly created by Tsubakihara et al. at Tokyo Institute of Technology. FPY-2011 is currently the latest fission yield data in Japan. In the concerned nuclides, the relative difference (Tokyo-tech/FPY-2011 -1) in the production of Sb{sup 125} is 4.5% and that of Eu{sup 154} is -5.6%. The relative difference in the production of Sb{sup 125} is found to be caused by the difference in the independent yields of Sn{sup 125}, In{sup 125}, Cd{sup 125}, Ag{sup 125}, and Pd{sup 125}. The relative difference in Eu{sup 154} is found to be caused by the relative difference in the production of Sm{sup 152} and the relative difference in the cumulative yield of Eu{sup 153}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Anti-reflection coating with mullite and Duroid for large-diameter cryogenic sapphire and alumina optics

We developed a broadband two-layer anti-reflection (AR) coating for use on a sapphire half-wave plate (HWP) and an alumina infrared (IR) filter for the cosmic microwave background (CMB) polarimetry. Measuring the faint CMB B-mode signals requires maximizing the number of photons reaching the detectors and minimizing spurious polarization due to reflection with an off-axis incident angle. Sapphire and alumina have high refractive indices of 3.1 and are highly reflective without an AR coating. This paper presents the design, fabrication, quality control, and measured performance of an AR coating using thermally sprayed mullite and Duroid 5880LZ. This technology enables large optical elements with diameters of 600 mm. We also present a thermography-based nondestructive quality control technique, which is key to assuring good adhesion and preventing delamination when thermal cycling. We demonstrate the average reflectance of about 2.6% (0.9%) for two observing bands centered at 90/150 (220/280) GHz. At room temperature, the average transmittance of a 105 mm square test sample at 220/280 GHz is 83%, and it will increase to 90% at 100 K, attributed to reduced absorption losses. Therefore, our developed layering technique has proved effective for 220/280 GHz applications, particularly in addressing dielectric loss concerns. This AR coating technology has been deployed in the cryogenic HWP and IR filters of the Simons Array and the Simons observatory experiments and applies to future experiments such as CMB-S4.

Sakaguri, Kana (ORCID:0000000156678118)↗
DOE OSTI2023

Laser ultrasonic imaging of subsurface defects with the linear sampling method

Laser ultrasonics is a remote nondestructive evaluation technique suitable for real-time monitoring of fabrication processes in semiconductor metrology, advanced manufacturing, and other applications where non-contact, high fidelity measurements are required. Here we investigate laser ultrasonic data processing approaches to reconstruct images of subsurface side drilled holes in aluminum alloy specimens. We demonstrate through simulation that the model-based linear sampling method (LSM) can perform accurate shape reconstruction of single and multiple holes and produce images with well-defined boundaries. We experimentally confirm that LSM produces images that represent the internal geometric features of an object, some of which may be missed by conventional imaging.

42 ENGINEERING↗
DOE OSTI2026

Soft X-ray reflection ptychography

Scanning transmission X-ray microscopy and ptychography have become mature tools for high-resolution, element-specific imaging of nanoscale structures. However, transmission geometries impose stringent constraints on sample thickness and preparation, thereby limiting investigations of extended or bulk specimens, especially in the soft X-ray region. Here, we demonstrate reflection-geometry soft X-ray ptychography as a robust imaging mode. Instrumental feasibility and spatial resolution are established using a lithographically defined Siemens star and barcode test pattern on a multilayer substrate. We empirically demonstrate a full-pitch spatial resolution of ca. 45 nm from Fourier ring correlation analysis of the reconstructed object. The results highlight the potential of the reflection geometry for nondestructive X-ray studies of materials without the need for transmissive samples.

Guenzing, Damian [Lawrence Berkeley National Labor↗
DOE OSTI2020

Production of Cf-252 and other transplutonium isotopes at Oak Ridge National Laboratory

In 1957 Glenn T. Seaborg conceived and advocated for the construction of the High Flux Isotope Reactor (HFIR) and the Transuranium Processing Plant (since then renamed the Radiochemical Engineering Development Center, or REDC) at Oak Ridge National Laboratory. There, heavily shielded hot cells, glove boxes, and laboratories allow recovery of transuranium elements produced in substantial quantities. Seaborg’s vision of HFIR and REDC producing milligram quantities of berkelium, californium, and einsteinium has been fulfilled beginning in 1966 through May 2019 with 78 production campaigns yielding a cumulative totals of 1.2 g of 249 Bk, 10.2 g of 252 Cf, 39 mg of 253 Es, and 15 pg of 257 Fm. Notably, 252 Cf is a neutron source used in many industrial applications including oil exploration; process control systems for the cement industry, coal analysis, and power production; sources to start nuclear reactors and perform nondestructive materials analyses; homeland security and national defense detection devices; and medical research. Isotopes made available through transplutonium production at HFIR/REDC have enabled scientists to study the nuclear properties and reactions, chemical properties, optical properties, and solid-state properties of transplutonium elements. Long-lived isotopes have served as targets in heavy ion accelerators to produce heavier elements leading to the discovery of 104 Rf, 105 Db, 106 Sg, 113 Nh, 114 Fl, 115 Mc, 116 Lv, 117 Ts, and 118 Og. This paper reviews the evolution of the processing flowsheets to produce, separate, and purify transplutonium isotopes, which have evolved over 50 years of operation at HFIR and REDC, and summarizes directions of future work to improve the efficiency of the production operations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Assessing atomically thin delta-doping of silicon using mid-infrared ellipsometry

Hydrogen lithography has been used to template phosphine-based surface chemistry to fabricate atomic-scale devices, a process we abbreviate as atomic precision advanced manufacturing (APAM). In this work, we use mid-infrared variable angle spectroscopic ellipsometry (IR-VASE) to characterize single-nanometer thickness phosphorus dopant layers (δ-layers) in silicon made using APAM compatible processes. A large Drude response is directly attributable to theδ-layer and can be used for nondestructive monitoring of the condition of the APAM layer when integrating additional processing steps. Furthermore, the carrier density and mobility extracted from our room temperature IR-VASE measurements are consistent with cryogenic magneto-transport measurements, showing that APAM δ-layers function at room temperature. Finally, the permittivity extracted from these measurements shows that the doping in the APAM δ-layers is so large that their low-frequency in-plane response is reminiscent of a silicide. However, there is no indication of a plasma resonance, likely due to reduced dimensionality and/or low scattering lifetime.

2D material↗
DOE OSTI2023

In operando neutron imaging characterizations of all-solid-state batteries

The surge in electric vehicle demand has propagated the extensive application of lithium-ion batteries (LIBs) in recent years. Gaining significant traction due to their promising high-energy density and elevated safety over traditional LIBs, all-solid-state Li batteries (ASLBs) have nonetheless been faced with hurdles relating to battery performance. These include concerns with interfacial compatibility, structural stability, Li dendrite inhibition, and large-scale manufacturing. To tackle these issues, it is necessary to employ advanced characterization methods to comprehend the intrinsic mechanisms within ASLBs. In this article, we advocate for the use of neutron imaging as a nondestructive approach for the operando visualization of ASLBs. We draw comparisons with other operando visualization strategies, underline the benefits of neutron imaging, and discuss its potential applicability in the scrutiny of all-solid-state Li metal batteries and all-solid-state Li-sulfur batteries. Neutron imaging provides valuable insights into the dynamics of Li concentration, reaction mechanisms, and transport constraints in ASLBs. These insights are pivotal in contributing to the evolution of high-performance all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Monitoring accelerated alkali-silica reaction in concrete prisms with petrography and electrical conductivity measurements

We report deterioration of concrete due to alkali-silica reaction (ASR) involves a reaction between alkaline ions in the cement pore solution and non-crystalline silica found in many aggregates. Diagnosing and quantifying deterioration due to ASR in concrete currently requires destructive testing for microscopy examinations. In this paper, electrical conductivity is investigated qualitatively as an alternative non-destructive evaluation (NDE) method of ASR in hardened concrete. The study was performed using an unrestrained set of small concrete prism specimens made with highly reactive small aggregates, and kept in an environmental chamber according to ASTM C1293 standard. In a companion study, destructive petrography and damage rating index (DRI) assessment, and pore solution extraction and analysis were performed on the same set of accelerated ASR specimens. The results show that temporal evolution of nondestructive bulk resistivity is linearly correlated with destructive DRI score.

36 MATERIALS SCIENCE↗