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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Advancing Elemental and Isotopic Analysis of Uranium Mineral Inclusions: Rapid Screening via Laser-Induced Breakdown Spectroscopy and High-Resolution Laser Ablation-ICP-MS Mapping

The work presented herein employs two laser-based analytical techniques (laser-induced breakdown spectroscopy (LIBS) and laser ablation – inductively coupled plasma – mass spectrometry (LA-ICP-MS)) to spatially determine the elemental and isotopic composition of uranium bearing minerals. Uniquely, this work leverages the high-speed applicability of LIBS to “screen” the sample(s) for their elemental constituents. After determining the location of the uranium inclusions (via LIBS), high-resolution LA-ICP-MS was employed to further characterize the inclusions. The high-resolution (sub-µm) capabilities of LA-ICP-MS were able to extract important information from the uranium minerals including discerning its chemical form (e.g., finchite from carnotite, Sr- and K-bearing uranyl vanadates, respectively) as well as their 235 U/ 238 U isotopic composition. This approach, LIBS followed by LA-ICP-MS, significantly reduces the analysis time (~95 %) in comparison to employing a LA-ICP-MS only approach. Furthermore, this work presented a novel approach to analyzing inclusions via a particle/inclusion analysis tool which is commercially available within the iolite 4 software. This tool allowed for a more accurate characterization of the isotopic distribution of the inclusions, as well as allowing for rapid sizing of the inclusions. Finally, this analytical approach could readily be applied to other sample types in which the target species (e.g., µm-sized inclusions) are embedded in complex matrices (e.g., cm-sized samples).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Characterisation of sludge for pyrolysis conversion process based on biomass composition analysis and simulation of pyrolytic properties

Highlights: • Characterisation of different types sewage sludge for pyrolytic properties. • Developed analytical procedure to categorise and quantify composition of sludge. • Observed qualitative similarity and quantitative variation on properties of sludge. • Correlated organic components with thermochemical properties of sludge. • Coupled model compounds selection and composition analysis for simulation study. - Abstract: Pyrolytic behaviour of sludge is highly complex and obscure because of its heterogeneous and diverse composition. Therefore, an analytical procedure is proposed to categorise and quantify the main constituents in sludge. In addition, a simulation study of sludge characteristics is carried out to complement the composition analysis and to improve our understanding on the relationship between composition of sludge and its corresponding properties. Different types of sludge samples were collected at different treatment stages from four Water Reclamation Plants in Singapore in two separate batches. Model compounds are selected to represent components identified and are used in simulation of pyrolytic properties of sludge. Constituents of sludge are adequately categorised, quantified and characterised in this study. Qualitative similarities and quantitative variations on characteristics of different sludge samples were identified. Comparison among the samples collected with the simulation provided insights on how differences in organic composition of sludge affected its properties.

09 BIOMASS FUELS↗
DOE OSTI2018

Microbiome characterization by high-throughput transfer RNA sequencing and modification analysis

Advances in high-throughput sequencing have facilitated remarkable insights into the diversity and functioning of naturally occurring microbes; however, current sequencing strategies are insufficient to reveal physiological states of microbial communities associated with protein translation dynamics. Transfer RNAs (tRNAs) are core components of protein synthesis machinery, present in all living cells, and are phylogenetically tractable, which make them ideal targets to gain physiological insights into environmental microbes. Here we report a direct sequencing approach, tRNA-seq, and a software suite, tRNA-seq-tools, to recover sequences, abundance profiles, and post-transcriptional modifications of microbial tRNA transcripts. Our analysis of cecal samples using tRNA-seq distinguishes high-fat-and low-fat-fed mice in a comparable fashion to 16S ribosomal RNA gene amplicons, and reveals taxon- and diet-dependent variations in tRNA modifications. Our results provide taxon-specific in situ insights into the dynamics of tRNA gene expression and post-transcriptional modifications within complex environmental microbiomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Direct observation of ice nucleation events on individual atmospheric particles

Heterogeneous ice nucleation is a physical chemistry process of critical relevance to a range of topics in the fundamental and applied sciences and technologies. Heterogeneous ice nucleation remains insufficiently understood, partially due to the lack of experimental methods capable of obtaining in situ microscopic details of ice formation over nucleating substrates or particles. Here, we present microscopic observations of ice nucleation events on kaolinite particles at the nanoscale and demonstrate the capability of direct tracking and micro-spectroscopic characterization of individual ice nucleating particles (INPs) in an authentic atmospheric sample. Furthermore, this approach utilizes a custom-built ice nucleation cell, interfaced with an Environmental Scanning Electron Microscope (IN-ESEM platform) operated at temperatures and relative humidities relevant for heterogeneous ice nucleation. The IN-ESEM platform allows dynamic observations of individual ice formation events over particles in isobaric and isothermal experiments. Isothermal experiments on individual kaolinite particles demonstrate that ice crystals preferably nucleate at the edges of the stacked kaolinite platelets, rather than on their basal planes. Finally, these experimental observations of the location of ice nucleation provide direct information for further theoretical chemistry predictions of ice formation on kaolinite.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

A Taylor Expansion-Based Adaptive Design Strategy for Global Surrogate Modeling With Applications in Groundwater Modeling

Global sensitivity analysis (GSA) and uncertainty quantification (UQ) for groundwater modeling are challenging because of the model complexity and significant computational requirements. To reduce the massive computational cost, a cheap-to-evaluate surrogate model is usually constructed to approximate and replace the expensive groundwater models in the GSA and UQ. Constructing an accurate surrogate requires actual model simulations on a number of parameter samples. Thus, a robust experimental design strategy is desired to locate informative samples so as to reduce the computational cost in surrogate construction and consequently to improve the efficiency in the GSA and UQ. In this study, we develop a Taylor expansion-based adaptive design (TEAD) that aims to build an accurate global surrogate model with a small training sample size. TEAD defines a novel hybrid score function to search informative samples, and a robust stopping criterion to terminate the sample search that guarantees the resulted approximation errors satisfy the desired accuracy. The good performance of TEAD in building global surrogate models is demonstrated in seven analytical functions with different dimensionality and complexity in comparison to two widely used experimental design methods. The application of the TEAD-based surrogate method in two groundwater models shows that the TEAD design can effectively improve the computational efficiency of GSA and UQ for groundwater modeling.

58 GEOSCIENCES↗
DOE OSTI2023

A novel transfer learning framework for sorghum biomass prediction using UAV-based remote sensing data and genetic markers

Yield for biofuel crops is measured in terms of biomass, so measurements throughout the growing season are crucial in breeding programs, yet traditionally time- and labor-consuming since they involve destructive sampling. Modern remote sensing platforms, such as unmanned aerial vehicles (UAVs), can carry multiple sensors and collect numerous phenotypic traits with efficient, non-invasive field surveys. However, modeling the complex relationships between the observed phenotypic traits and biomass remains a challenging task, as the ground reference data are very limited for each genotype in the breeding experiment. In this study, a Long Short-Term Memory (LSTM) based Recurrent Neural Network (RNN) model is proposed for sorghum biomass prediction. The architecture is designed to exploit the time series remote sensing and weather data, as well as static genotypic information. As a large number of features have been derived from the remote sensing data, feature importance analysis is conducted to identify and remove redundant features. A strategy to extract representative information from high-dimensional genetic markers is proposed. To enhance generalization and minimize the need for ground reference data, transfer learning strategies are proposed for selecting the most informative training samples from the target domain. Consequently, a pre-trained model can be refined with limited training samples. Field experiments were conducted over a sorghum breeding trial planted in multiple years with more than 600 testcross hybrids. The results show that the proposed LSTM-based RNN model can achieve high accuracies for single year prediction. Further, with the proposed transfer learning strategies, a pre-trained model can be refined with limited training samples from the target domain and predict biomass with an accuracy comparable to that from a trained-from-scratch model for both multiple experiments within a given year and across multiple years.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Molecular characterization of Cryptococcus neoformans and Cryptococcus gattii from environmental sources and genetic comparison with clinical isolates in Apulia, Italy

Highlights: • Meta-analysis of data recorded during environmental surveys of Cryptococcus spp in Apulia. • Olive trees can be an alternative ecological niche for C. neoformans and C. gattii. • Correlation clinical cases with possible new environmental sources of infection. The present study investigated the environmental distribution of Cryptococcus neoformans and C. gattii species complex molecular types, mating types and sequence types in Apulia, a region of Southern Italy. A total of 2078 specimens from arboreal and animal sources were analyzed. The percentage of positive samples was similar among both arboreal and animal specimens: 4.2% vs. 5.1% for C. neoformans species complex and 0.6% vs. 1.4% for C. gattii species complex. Molecular typing identified 78 isolates as VNI (76 αA and two aA), one as AD-hybrid αADa, and 16 as VGI aB. VNI isolates presented 10 different sequence types (STs) and VGI isolates two. The most frequent STs among C. neoformans and C. gattii species complex isolates were ST23 (51%) and ST156 (90%), respectively. Comparison with molecular types and STs results obtained from 21 clinical isolates collected in Apulia showed that one C. neoformans VNI clinical isolate shared an identical sequence type of one arboreal isolate (ST61) and that one C. gattii VGI clinical isolate matched with the main ST (ST156) present in the environment. In addition, molecular type VNIV was found only among clinical isolates and was absent in the investigated environmental area. In conclusion, the present study identified which C. neoformans and C. gattii species complex genotypes are circulating in Apulia, defined their ecological niches and revealed the relationship with clinical cases. It represents a basal study for addressing future investigations and public health interventions in the region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Chemiluminescent Biosensors for Detection of Second Messenger Cyclic di-GMP

Bacteria colonize highly diverse and complex environments, from gastrointestinal tracts to soil and plant surfaces. This colonization process is controlled in part by the intracellular signal cyclic di-GMP, which regulates bacterial motility and biofilm formation. To interrogate cyclic di-GMP signaling networks, a variety of fluorescent biosensors for live cell imaging of cyclic di-GMP have been developed. However, the need for external illumination precludes the use of these tools for imaging bacteria in their natural environments, including in deep tissues of whole organisms and in samples that are highly autofluorescent or photosensitive. The need for genetic encoding also complicates the analysis of clinical isolates and environmental samples. Toward expanding the study of bacterial signaling to these systems, we have developed the first chemiluminescent biosensors for cyclic di-GMP. The biosensor design combines the complementation of split luciferase (CSL) and bioluminescence resonance energy transfer (BRET) approaches. Furthermore, we developed a lysate-based assay for biosensor activity that enabled reliable high-throughput screening of a phylogenetic library of 92 biosensor variants. The screen identified biosensors with very large signal changes (~40- and 90-fold) as well as biosensors with high affinities for cyclic di-GMP ($K_D$ < 50 nM). These chemiluminescent biosensors then were applied to measure cyclic di-GMP levels in $E. coli$. The cellular experiments revealed an unexpected challenge for chemiluminescent imaging in Gram negative bacteria but showed promising application in lysates. Taken together, this work establishes the first chemiluminescent biosensors for studying cyclic di-GMP signaling and provides a foundation for using these biosensors in more complex systems.

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

Anisotropic spall failure of additively manufactured 316L stainless steel

The dynamic high strain rate tensile (spall) failure of additively manufactured (AM) materials is an area of great interest but much less understood than material failure under other loading regimes. The research presented here examines the effects of microstructure anisotropy in 316L stainless steel fabricated by laser powder bed fusion (LPBF) on its spall failure and properties. In this work, plate-on-plate impact experiments were performed using an 80-mm gas gun to investigate the spall behavior of AM fabricated sample discs with impact along the perpendicular and parallel orientations relative to build directions. Experiments were also performed on wrought 316L stainless steel as baseline material with uniform equiaxed grain microstructure for comparison with the AM material of same composition. The spall experiments involved free-surface velocity profiles measured using Photon Doppler Velocimetry (PDV) to capture the spall pull-back signals, combined with post-mortem analysis of the microstructure of soft-recovered impacted samples. In the case of AM samples, spall failure initiated preferentially at melt pool boundaries in both impact directions. The spall plane location and spall strength, however, were both heavily influenced by the orientation of the impact direction relative to the build direction in the AM samples. The spall behavior is also observed to be more complex in the samples impacted perpendicular to the build (through-thickness) direction, due in large part to the orientation of the microstructural features such as melt pool boundaries, laser scan tracks, and general grain morphology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Editorial: Applications of spectroscopy and chemometrics in nuclear materials analysis

Optical analysis techniques, including spectroscopy and image analysis, have many advantages when applied to the study of nuclear materials. They require small sample sizes, can be performed remotely, and can be proceduralized through consistent practice. Most importantly, they provide a wealth of information by generating multivariate data. For example, ultraviolet–visible–near-infrared absorbance spectroscopy of actinides in aqueous and organic solutions is dependent on the oxidation state, anionic complexation, and temperature. These variables are important for solution-based separation processes, and sensitivity to these factors, combined with online monitoring, can drive the efficiency and control of these processes. The morphology and chemical composition of actinide particles can also provide a vital clue to the mechanisms by which the particles were formed, providing forensic information on the origins of the particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Total Protein Analysis in Algae via Bulk Amino Acid Detection: Optimization of Amino Acid Derivatization after Hydrolysis with O -Phthalaldehyde 3-Mercaptopropionic Acid (OPA-3MPA)

The analysis of protein in algal biomass is one of the most critical areas of commercial development of algae characterization for nutritional or other high value applications. A new rapid and accurate method is required that can be widely implemented and that is free from interferences from the complex algal biomass matrix. We developed a simple spectrophotometric method for primary amino acid quantification bulk measurement in an acid hydrolyzed algal biomass preparation, as an alternative to the more labor-intensive amino HPLC acid analysis or less specific nitrogen-to-protein conversion. We have validated an O -phthalaldehyde (OPA)-based derivatization method, showing accurate and linear quantification for standard reference amino acids as well as mixtures, mimicking the amino acid complexity found in algal biomass. The presence of interferences that may be derived from the complex biomass biochemical composition was tested during the method validation phase. We document the application of a novel method of OPA derivatization with 3-mercaptopropionic acid (3MPA) to determine the total amino acid content of harvested algal biomass collected from different, controlled cultivation conditions and demonstrated a within 10% accuracy against a reference measurement of amino acid content in at least 4 species and 10 algal biomass samples, across early, mid, and late-stages of cultivation.

09 BIOMASS FUELS↗
DOE OSTI2024

Selective laser sintering and spark plasma sintering of (Zr,Nb,Ta,Ti,W)C compositionally complex carbide ceramics

Abstract Two advanced manufacturing processes, spark plasma sintering (SPS) and selective laser sintering (SLS), have been developed for synthesis of (Zr,Nb,Ta,Ti,W)C compositionally complex carbide (CCC) via reactive sintering of a powder mixture of constitute monocarbides. X‐ray diffraction analysis confirmed that the single‐phase CCC can be formed by both SPS and SLS. While a homogenous microstructure with uniform metal element distributions was developed during SPS, three‐layer microstructures with a thin TiC‐rich layer and two TaC‐rich layers along with a TiO 2 ‐rich surface layer containing W nanoparticles were formed during SLS. In addition, cellular structures with W, Zr, and Ti element segregation and dislocations on cell boundaries were observed in the SLS‐CCC sample, indicating the effect of nonequilibrium conditions on microstructure formation during laser melting followed by rapid cooling and solidification process. Compared to the SPS‐CCC sample, the SLS‐CCC showed enhanced hardness and reduced thermal conductivity, which may be related to their unique cellular structures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Solidification pattern, microstructure and texture development in Laser Powder Bed Fusion (LPBF) of Al10SiMg alloy

Highlights: • The complex solidification pattern during Laser Powder Bed Fusion of Al10SiMg alloy is explained. • The evolution of α-Al cellular network, grain structure and texture development is characterized. • The grain structure is shown to be columnar throughout the printed sample • The grains’ orientation align with that of the α-Al cells. • The size evolution of α-Al cells and grains within the scan tracks follow opposite patterns. • Utilizing of a 67° hatch angle enhances densification and promotes a more isotropically developed texture across the build. - Abstract: A comprehensive analysis of solidification patterns and microstructural development is presented for an Al10SiMg sample produced by Laser Powder Bed Fusion (LPBF). Utilizing a novel scanning strategy that involves counter-clockwise rotation of the scan vector by 67° upon completion of each layer, a relatively randomized cusp-like pattern of protruding/overlapping scan tracks has been produced along the build direction. We show that such a distribution of scan tracks, as well as enhancing densification during LPBF, reduces the overall crystallographic texture in the sample, as opposed to those normally achieved by commonly-used bidirectional or island-based scanning regimes with 90° rotation. It is shown that, under directional solidification conditions present in LPBF, the grain structure is strictly columnar throughout the sample and that the grains' orientation aligns well with that of the α-Al cells. The size evolution of cells and grains within the melt pools, however, is shown to follow opposite patterns. The cells'/grains' size distribution and texture in the sample are explained via use of analytical models of cellular solidification as well as the overall heat flow direction and local solidification conditions in relation to the LPBF processing conditions. Such a knowledge of the mechanisms upon which microstructural features evolve throughout a complex solidification process is critical for process optimization and control of mechanical properties in LPBF.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Liquid Chromatography Mass Spectrometry study of eutectic bis(2,2-dinitropropyl) acetal/formal

This study is the first attempt to document methodology development undergone using liquid chromatography tandem quadrupole time of flight mass spectrometry (LC-QTOF) to investigate degradation products of eutectic bis(2,2-dinitropropyl) acetal/formal nitroplasticizer (called NP here). Method properties investigated are: desolvation temperature (°C) and spray voltage (V) of the electrospray ionization source, and the development of an acetone system rinse to prevent any residual contamination between sample injections. Details are given on why it is essential to investigate method optimization with changes shown in MS/MS analysis in addition to MS results. Trends in MS/MS analytic results reveal important relationships between baseline and aged materials. In addition to verification of previously proposed fragments, insights offered by this newly developed methodology will also identify new degradation products and shed light on the complexity of NP degradation chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Exploring the potential of using L-Band InSAR for the mapping of flooded vegetation in tropical wetlands

Wetlands play a critical role in global water and carbon cycles, yet monitoring their water extent remains difficult, particularly beneath dense vegetation. SAR-based techniques such as backscatter thresholding are limited by complex scattering mechanisms, while fully polarimetric SAR (PolSAR) data capable of detecting doublebounce scattering remain scarce. To address these challenges, this study evaluates the potential of Interferometric SAR (InSAR) for mapping water surfaces beneath vegetation, termed flooded vegetation, using the Atrato floodplain in Colombia as a case study. We develop an automated workflow combining InSAR fringe detection with local phase homogeneity analysis and random sampling of processing parameters to generate probabilistic flooded vegetation maps. Applied to ALOS PALSAR-1 L-band image pairs from 2007–2011, the workflow captures seasonal fluctuations in flooded extent ranging from 500 to 1,500 km2. Compared to other L-band SAR inundation products, the InSAR-based maps identify broader flooded areas, with ~70% agreement in pairwise comparisons. Around 84% of detections align with existing wetland inventories and seasonal changes correspond with regional hydrological indicators, including terrestrial water storage anomalies and water gauge measurements. PolSAR analysis shows that InSAR complements backscatter-based methods by detecting inundation in areas with weak double-bounce signals. These findings suggest that combining InSAR with backscatter-based methods can improve detection of flooded vegetation, which is especially relevant for the upcoming NISAR mission that will offer frequent global L-band observations.

Coastal inundation↗
DOE OSTI2025

Analysis methodology of coherent oscillations in time- and angle-resolved photoemission spectroscopy

Oscillatory signals from coherently excited phonons are regularly observed in ultrafast pump–probe experiments on condensed matter samples. Electron–phonon coupling implies that coherent phonons also modulate the electronic band structure. These oscillations can be probed with energy and momentum resolution using time- and angle-resolved photoemission spectroscopy (trARPES), which reveals the orbital dependence of the electron–phonon coupling for a specific phonon mode. However, a comprehensive analysis remains challenging when multiple coherent phonon modes couple to multiple electronic bands. Complex spectral line shapes due to strong correlations in quantum materials add to this challenge. In this work, we examine how the frequency domain representation of trARPES data facilitates a quantitative analysis of coherent oscillations of the electronic bands. Here, we investigate the frequency domain representation of the photoemission intensity and the first moment of the energy distribution curves. Both quantities provide complementary information and are able to distinguish oscillations of binding energy, linewidth, and intensity. We analyze a representative trARPES dataset of the transition metal dichalcogenide WTe 2 and construct composite spectra, which intuitively illustrate how much each electronic band is affected by a specific phonon mode. We also show how a linearly chirped probe pulse can generate extrinsic artifacts that are distinct from the intrinsic coherent phonon signal.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Delayed Gamma-ray Spectroscopy for Safeguards Applications

The delayed gamma-ray assay technique utilizes an external neutron source (D-D, D-T, or electron accelerator-driven), and high-resolution gamma-ray spectrometers to perform characterization of SNM materials behind shielding and in complex configurations such as a nuclear fuel assembly. High-energy delayed gamma-rays (2.5 MeV and above) observed following the active interrogation, provide a signature for identification of specific fissionable isotopes in a mixed sample, and determine their relative content. Potential safeguards applications of this method are: 1) characterization of fresh and spent nuclear fuel assemblies in wet or dry storage; 2) analysis of uranium enrichment in shielded or non-characterized containers or in the presence of a strong radioactive background and plutonium contamination; 3) characterization of bulk and waste and product streams at SNM processing plants. Extended applications can include warhead confirmation and warhead dismantlement confirmation in the arms control area, as well as SNM diagnostics for the emergency response needs. In FY16 and prior years, the project has demonstrated the delayed gamma-ray measurement technique as a robust SNM assay concept. A series of empirical and modeling studies were conducted to characterize its response sensitivity, develop analysis methodologies, and analyze applications. Extensive experimental tests involving weapons-grade Pu, HEU and depleted uranium samples were completed at the Idaho Accelerator Center and LLNL Dome facilities for various interrogation time regimes and effects of the neutron source parameters. A dedicated delayed gamma-ray response modeling technique was developed and its elements were benchmarked in representative experimental studies, including highresolution gamma-ray measurements of spent fuel at the CLAB facility in Sweden. The objective of the R&D effort in FY17 is to experimentally demonstrate the feasibility of the delayed gamma-ray interrogation of shielded SNM samples with portable neutron sources suitable for field applications.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

The Quantum Alternating Operator Ansatz on Maximum k -Vertex Cover

The Quantum Alternating Operator Ansatz is a generalization of the Quantum Approximate Optimization Algorithm (QAOA) designed for finding approximate solutions to combinatorial optimization problems with hard constraints. In this paper, we study Maximum k-Vertex Cover under this ansatz due to its modest complexity, while still being more complex than the well studied problems of Max-Cut and Max E3-LIN2. Our approach includes (i) a performance comparison between easy-to-prepare classical states and Dicke states as starting states, (ii) a performance comparison between two XY -Hamiltonian mixing operators: the ring mixer and the complete graph mixer, (iii) an analysis of the distribution of solutions via Monte Carlo sampling, and (iv) the exploration of efficient angle selection strategies.

97 MATHEMATICS AND COMPUTING↗