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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 1,063 records · Page 59

On-line measurements of RuO{sub 4} during a PWR severe accident

After the Fukushima accident, it became essential to have a way to monitor in real time the evolution of a nuclear reactor during a severe accident, in order to react efficiently and minimize the industrial, ecological and health consequences of the accident. Among gaseous fission products, the tetroxide of ruthenium RuO{sub 4} is of prime importance since it has a significant radiological impact. Ruthenium is a low volatile fission product but in case of the rupture of the vessel lower head by the molten corium, the air entering into the vessel oxidizes Ru into gaseous RuO{sub 4}, which is not trapped by the Filtered Containment Venting Systems. To monitor the presence of RuO{sub 4} allows making a diagnosis of the core degradation and quantifying the release into the atmosphere. To determine the presence of RuO{sub 4}, FTIR spectrometry was selected. To study the feasibility of the monitoring, high-resolution IR measurements were realized at the French synchrotron facility SOLEIL on the infrared beam line AILES. Thereafter, theoretical calculations were done to simulate the FTIR spectrum to describe the specific IR fingerprint of the molecule for each isotope and based on its partial pressure in the air. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Radiation Tolerance Studies of Commercial Strippable Coatings and Fixatives used for Decontamination - 18642

A number of commercially available products, designed for use as strippable coating and fixatives for decontamination purposes, were tested to determine their tolerability to high radiation fields and how they potentially degrade. Each product was cured and exposed to γ-radiation from a Co-60 source, up to a total dose of 500 kGy. Obvious physical colour changes and deformities were detected by visual inspection, and images captured by scanning electron microscope (SEM) showed major differences post-irradiation in some coatings. Other physical changes to the coatings were measured using Fourier-transform infrared spectroscopy (FT-IR), Raman spectroscopy, and energy-dispersive X-ray spectroscopy (EDS); both pre- and post-irradiation. FT-IR suggested that some chemical changes were taking place in the coatings, in particular the C-H bonds and the fingerprint region appeared to be drastically altered in some coatings. EDS data indicated an increase in surface oxygen content as a result of irradiation in the majority of the samples. Additionally, coating samples were subjected to analysis by gas chromatography mass spectrometry (GCMS) in order to determine the evolved gases. The GC-MS results show that short chain hydrocarbons are produced to some degree in all the coatings during irradiation. Finally, three of the best performing coatings were selected and were irradiated using an ion beam, mimicking Pu alpha particles (with energy of around 5.25 MeV). Using the Dalton Cumbrian Facility's 5 MV tandem accelerator, coating samples were irradiated by ∼5.25 MeV He{sup 2+} particles to total dose of approximately 500 kGy. Samples were analysed using SEM, FT-IR, Raman and EDS, as was done for the gamma irradiated samples, allowing a comparison to be made between α-particle and γ-ray damage. Results from the alpha and gamma irradiations showed many similarities for the comparable assessments. A number of spectral changes observed in the FT-IR analysis were consistent across both γ-ray and α-particle irradiated samples. While there were some differences, these may be attributed to the conditions under which the irradiations were carried out. The observed similarities may allow for the inference of alpha degradation by Co-60 gamma irradiation as a more easily accessible method for determining the extent of radiolytic damage. Furthermore, gamma irradiation allows for additional analysis that is currently otherwise not possible to achieve with ion-beam exposure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Corrosion testing needs and considerations for additively manufactured materials in nuclear reactors

Metal additive manufacturing holds significant promise as an enabling technology for the 21st century nuclear energy industry. Metal additive manufacturing (MAM) can allow the fabrication of novel materials and innovative component designs that are not achievable through conventional manufacturing. Due to its very different fabrication methods, as-fabricated MAM components are characteristically different from conventionally manufactured components. MAM materials exhibit very different microstructures from conventional cast or wrought materials. For example, austenitic stainless steels fabricated by laser powder bed fusion exhibit columnar grain structures, dislocation cell structures, and melt pool fingerprints. In addition, MAM fabrication may result in defects such as porosity, incomplete processing of the feedstock (e.g., lack of fusion in melt-based methods), and oxide inclusions. Heat treatments may further evolve the microstructure, microsegregation, and stresses within the component. Furthermore, MAM components have a rough surface with feature sizes on the order of the feedstock material, as opposed to smooth surfaces resulting from conventional machining and forming operations. As a result, the corrosion behavior of MAM components will likely be significantly different from that of conventionally formed components. Corrosive environments for structural materials within advanced reactor environments include molten fluoride and chloride salts, liquid sodium and lead-bismuth, and high-temperature helium. The Advanced Materials and Manufacturing Technologies program within the Department of Nuclear Energy in the United States Department of Energy is assessing the unique concerns of MAM component corrosion and testing methodologies in advanced nuclear reactor environments. We discuss these concerns and testing strategies in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pixel-Registered Multimodal Synchrotron XRF and FTIR Microscopies Reveal Salinity Stress Response Mechanisms in Pistachio

Background: Salinity is a major abiotic stress that negatively affects nearly all plant species at all stages of growth. Drought and poor-quality irrigation cause high soil salinity and salt accumulation via evaporation, reducing crop productivity. Despite its critical importance, the spatial localization of salt ions and associated biochemical changes within plants experiencing high salinity remains largely unknown. In this study, we developed a multimodal imaging pipeline to understand the impact of salinity on the pistachio rootstock UCB-1 (Pistacia atlantica x Pistacia integerrima). We directly link biochemical fingerprints in stem tissue architecture with salt ion localization to provide insights into the strategies pistachio uses to tolerate salinity. Results: We observed that Pistacia spp. exposed to high salt conditions accumulated Ca, Si, Cl, Al and Mg as hotspots within the pith, compared to the control (of which only Ca and Al co-locate). In contrast, there was a decrease in K between the control and salinity treatment. Hotspots of amide I and II were present in the cortex and pith of the salinity treated sample. Additionally, the salinity treatment resulted in an increased abundance of pectin and carbohydrates within the pith compared to the control, and the abundance of esters/carboxylic acid was greater in the salinity treatment. Conclusions: We determined that Cl and K, S and P, and biochemical components polysaccharide and pectin, esters and carboxylic acid, amide I and cellulose are the strongest drivers of salinity- treatment induced variability. In the cortex and phloem/xylem, a negative K-Ca correlation decreases in the salinity treatment. Several hotspots of elements and amide I (proteins) appear under salinity treatment, particularly in the cortex, suggesting an increase in the production of stress-related proteins (in response to high Cl) and/or structural proteins (i.e. Ca). Together, these results indicate that pistachio responds to salinity through ion compartmentalization coupled with a targeted biochemical adjustment, rather than a broadscale tissue-wide response. Overall, these novel, spatially resolved pixel-registered multimodal imaging data provide an enabling platform to understand the mechanisms of salinity tolerance in Pistacia spp and can be broadly applied to studying stress-related phenotype response in various plant tissues.

FTIR spectromicroscopy↗

CFD Modeling and Image Analysis of Exhaled Aerosols due to a Growing Bronchial Tumor: towards Non-Invasive Diagnosis and Treatment of Respiratory Obstructive Diseases

Diagnosis and prognosis of tumorigenesis are generally performed with CT, PET, or biopsy. Such methods are accurate, but have the limitations of high cost and posing additional health risks to patients. In this study, we introduce an alternative computer aided diagnostic tool that can locate malignant sites caused by tumorigenesis in a non-invasive and low-cost way. Our hypothesis is that exhaled aerosol distribution is unique to lung structure and is sensitive to airway structure vari-ations. With appropriate approaches, it is possible to locate the disease site, determine the disease severity, and subsequently formulate a targeted drug delivery plan to treat the disease. This study numerically evaluated the feasibility of the proposed breath test in an image-based lung model with varying pathological stages of a bronchial squamous tumor. Large eddy simulations and a Lagran-gian tracking approach were used to model respiratory airflows and aerosol dynamics. Respira-tions of tracer aerosols of 1 µm at a flow rate of 20 L/min were simulated, with the distributions of exhaled aerosols recorded on a filter at the mouth exit. Aerosol patterns were quantified with multiple analytical techniques such as concentration disparity, spatial scanning and fractal analysis. We demonstrated that a growing bronchial tumor induced notable variations in both the airflow and exhaled aerosol distribution. These variations became more apparent with increasing tumor severity. The exhaled aerosols exhibited distinctive pattern parameters such as spatial probability, fractal dimension, and multifractal spectrum. Results of this study show that morphometric measures of the exhaled aerosol pattern can be used to detect and monitor the pathological states of respiratory diseases in the upper airway. The proposed breath test also has the potential to locate the site of the disease, which is critical in developing a personalized, site-specific drug de-livery protocol.

Aerosol breath test↗

Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

Ever since the isolation of single-layer graphene in 2004, two-dimensional layered structures have been among the most extensively studied classes of materials. To date, the pool of two-dimensional materials (2DMs) continues to grow at an accelerated pace and already covers an extensive range of fascinating and technologically relevant properties. An array of experimental techniques have been developed and used to fully characterize and understand these properties. In particular, Raman spectroscopy has proven to be a key experimental technique, thanks to its capability to identify minute structural and electronic effects in nondestructive measurements. While high-frequency (HF) intralayer Raman modes have been extensively employed for 2DMs, recent experimental and theoretical progress has demonstrated that low-frequency (LF) interlayer Raman modes are more effective at determining layer numbers and stacking configurations, and provide a unique opportunity to study interlayer coupling. These advantages are due to 2DMs’ unique interlayer vibration patterns where each layer behaves as an almost rigidly moving object with restoring forces corresponding to weak interlayer interactions. Compared to HF Raman modes, the relatively small attention originally devoted to LF Raman modes is largely due to their weaker signal and their proximity to the strong Rayleigh line background, which previously made their detection challenging. Recent progress in Raman spectroscopy with technical and hardware upgrades now makes it possible to probe LF modes with a standard single-stage Raman system and has proven crucial to characterize and understand properties of 2DMs. Here, we present a comprehensive and forward-looking review on the current status of exploiting LF Raman modes of 2DMs from both experimental and theoretical perspectives, revealing the fundamental physics and technological significance of LF Raman modes in advancing the field of 2DMs. We review a broad array of materials, with varying thickness and stacking configurations, discuss the effect of in-plane anisotropy, and present a generalized linear chain model and interlayer bond polarizability model to rationalize the experimental findings. We also discuss the instrumental improvements of Raman spectroscopy to enhance and separate LF Raman signals from the Rayleigh line. Lastly, we highlight the opportunities and challenges ahead in this fast-developing field.

36 MATERIALS SCIENCE↗

Industrial IoT cross-layer forensic investigation

Cross-layer forensic investigation is addressed for Industrial Internet of Things (IIoT) device attacks in Critical Infrastructure (CI) applications. The operational motivation for cross-layer investigation is provided by the desire to directly correlate bit-level network anomaly detection with physical layer (PHY) device connectivity and/or status (normal, defective, attacked, etc.) at the time of attack. The technical motivation for developing cross-layer techniques is motivated by (a) having considerable capability in place for Higher-Layer Digital Forensic Information exploitation—real-time network cyberattack and postattack analysis, (b) having considerably less capability in place for Lowest-Layer PHY Forensic Information exploitation—the PHY domain remains largely under exploited, and (c) considering cyber-physical integration as a means to jointly exploit higher-layer digital and lowest-layer PHY forensic information to maximize investigative benefit in IIoT cyber forensics. A delineation of higher-layer digital and lowest-layer PHY elements is provided for the standard network Open Systems Interconnection model and the specific Perdue Enterprise Reference Architecture commonly used in IIoT Industrial Control System/Supervisory Control and Data Acquisition applications. Finally, a forensics work summary is provided for each delineated area based on selected representative publications and provides the basis for presenting the envisioned cross-layer forensic investigation.

97 MATHEMATICS AND COMPUTING↗

Identification of Unique Fragmentation Patterns of Fentanyl Analog Protomers Using Structures for Lossless Ion Manipulations Ion Mobility-Orbitrap Mass Spectrometry

The opioid crisis in the United States is being fueled by the rapid emergence of new fentanyl analogs and precursors that can elude traditional library-based screening methods, which require data from known reference compounds. Since reference compounds are unavailable for new fentanyl analogs, we examined if fentanyls (fentanyl + fentanyl analogs) could be identified in a reference-free manner using a combination of electrospray ionization (ESI), high-resolution ion mobility (IM) spectrometry, high-resolution mass spectrometry (MS), and higher-energy collision-induced dissociation (MS/MS). We analyzed a mixture containing nine fentanyls and W-15 (a structurally similar molecule) and found that the protonated forms of all fentanyls uniquely exhibited two baseline separated IM distributions that produced different MS/MS patterns. Upon fragmentation, both IM distributions of all fentanyls produced two high intensity fragments resulting from amine site cleavages. The higher mobility distributions of all fentanyls also produced several low intensity fragments, but surprisingly, these same fragments exhibited much greater intensities in the lower mobility distributions. This observation demonstrates that many fragments of fentanyls predominantly originate from one of two different gas-phase structures (suggestive of protomers). Furthermore, increasing the water concentration in the ESI solution increased the intensity of the lower mobility distribution relative to the higher mobility distribution, which further supports that fentanyls exist as two gas-phase protomers. In conclusion, our new observations on the IM and MS/MS properties of fentanyls can be exploited to positively identify them as fentanyls without requiring reference libraries and will hopefully assist first responders and law enforcement in combating new and emerging fentanyls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the Emergence of Human Influence on Surface Air Temperature Changes Over India

Human activities in terms of greenhouse gas (GHG) emissions and aerosols resulting from the combustion of fossil fuels have been shown to have affected the temperature of the Earth on global and continental scales. The surface air temperature (TAS) over India has also been observed to be increasing over the last 100 years. Understanding the underlying causes of regional climate change over India can help in developing appropriate mitigation and adaptation strategies. Differentiating signals of externally forced climate changes from the noise of natural internal variability generally becomes more difficult as spatial scale reduces. Therefore detecting and attributing the influence of external forcings such as GHGs and aerosols is harder at local and regional scales. In this study, we applied a detection and attribution (D&A) method to study annual and seasonal mean TAS over the Indian region. We found that the observed warming over India from 1906 to 2005 cannot be explained by natural climate variability alone. We found that the warming is largely driven by the increase in GHGs, and partially offset by regional anthropogenic emissions of aerosols. These results were confirmed for the shorter 1956–2005 period, but results were sensitive to the choice of observational data set. Furthermore, the changes cannot be explained by internal climate variability or natural external forcings alone, but are compatible with the responses to combined anthropogenic GHG and aerosol forcings.

54 ENVIRONMENTAL SCIENCES↗

Decoding how a soil bacterium extracts building blocks and metabolic energy from ligninolysis provides road map for lignin valorization

Significance Lignin is the only renewable and abundant polymer on the earth with aromatic units as its building blocks; however, it remains as an untapped resource. The current approach to making the biofuel industry cost competitive with the petroleum industry is to derive more value from the lignin. In this study we combined the unique approaches of both chemical engineering and biology to gain a deeper understanding of the metabolism of a soil bacterium, Sphingobium sp. SYK-6, that enables it to survive on lignin-derived monomers and oligomers. Understanding the central metabolism of SYK-6 will enable researchers to redesign the metabolic pathways of Sphingobium sp. SYK-6 more effectively to provide a renewable route for the production of products currently sourced from petrochemicals.

09 BIOMASS FUELS↗

Matrix Metalloproteinases as Candidate Antigenic Determinants for Anti‐Tumor Autoantibodies in Human Ovarian Cancer: A Post Hoc Analysis

Circulating antibodies in patients with cancer can facilitate the identification of accessible epitopes on autoantigens expressed by tumors. To identify previously unrecognized protein targets in ovarian cancer, we computationally assessed a heptapeptide consensus motif (VPELGHE, flanked by two cysteine residues yielding a cyclic nonapeptide under oxidizing conditions) previously discovered via phage display-based epitope mapping of autoantibodies in patients. Eight proteins associated with ovarian cancer encompass amino acid sequences similar to the consensus motif and were, therefore, considered as candidate native autoantigens. Among these candidate targets, however, matrix metalloproteinase 14 (MMP14) demonstrates gene expression that is both high and negatively correlated with survival in ovarian cancer patient cohorts. MMP14 protein levels are also stable in tumor versus non-tumor tissues. Moreover, the corresponding heptapeptide mimic in MMP14 occurs within an α-helical secondary structural element observed in its catalytic domain. These findings demonstrate that a subset of patient-derived autoantibodies may interact with a previously unknown antigenic epitope found in MMP14 and other MMPs, thereby providing opportunities for the development of new targeted agents.

Biochemistry & Molecular Biology↗

A topological approach for protein classification

Here, protein function and dynamics are closely related to its sequence and structure. However, prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein classification, which is typically done through measuring the similarity between proteins based on protein sequence or physical information, serves as a crucial step toward the understanding of protein function and dynamics.

59 BASIC BIOLOGICAL SCIENCES↗

Person-to-person transfer of Candida albicans in the spacecraft environment

We assessed the exchange of Candida albicans among crew members during 10 Space Shuttle missions. Throat, nasal, urine and faecal specimens were collected from 61 crew members twice before and once after space flights ranging from 7 to 10 days in duration; crews consisted of groups of five, six or seven men and women. Candida albicans was isolated at least once from 20 of the 61 subjects (33%). Candida strains were identified by restriction-fragment length polymorphism (RFLP) after digestion by the endonucleases EcoRI and HinfI; further discrimination was gained by Southern blot hybridization with the C. albicans repeat fragment 27A. Eighteen of the 20 Candida-positive crew members carried different strains of C. albicans in the specimens collected. Possible transfer of C. albicans between members of the same crew was demonstrated only once in the 10 missions studied. We conclude that the transfer of C. albicans among crew members during Space Shuttle flights is less frequent than had been predicted from earlier reports.

Flight Experiment↗

Developing Fast and Accurate Radiative Transfer Models to Meet the Needs of Modern Satellite Remote Sensing Applications

Modern hyperspectral satellite remote sensors provide highly accurate measurements the Earth’s Top-of-Atmosphere (TOA) radiance, reflectance, or polarized spectra with hundreds to thousands of spectral channels and with millions of observations per day. The large data volume and high spectral dimensionality of the data pose challenges for retrieval algorithms. To process the satellite Level-1 data (e.g. calibrated TOA spectra) into Level-2 products (e.g. atmospheric and surface properties) using physical-based retrieval algorithms, accurate and fast Radiative Transfer Models (RTMs) are needed. RTMs are usually the limiting factor in determining the speed of a level-2 algorithm. For example, more than one million Line-by-Line (LBL) radiative transfer (RT) calculations are needed in order to properly capture the spectral contributions of important atmospheric molecules for an IR hyperspectral sensor with a spectral coverage from 3.5 m to 15 m or a solar hyperspectral sensor with spectral coverage from 0.25 m to 2.5 m. In this presentation, we will discuss advantages and disadvantages of different ways (e.g. correlated k and effective transmittance) to accelerate the speed of a fast RTM. We finally describe a Principal Component-based Radiative Transfer Model (PCRTM), which can calculate TOA radiance or reflectance spectra from 50 cm-1 to 40,000 cm-1 (200 m to 0.25 m). It has demonstrated very good accuracy relative to reference LBL RTMs and saves orders of magnitude in computational time. The PCRTM has been used in many satellite remote sensing applications. Examples include forward modeling in Level-2 and Level-3 retrieval algorithms, high fidelity satellite instrument simulators and instrument performance trade studies, spectral and radiometric accuracy characterizations of satellite Level-1 data, tools for inter-satellite calibrations, tools for satellite RTM lookup table generations, and tools for generating physically based training datasets for Artificial Intelligence (AI) algorithms.

climate data record↗

SOPHIA

Network traffic monitoring software.

97 MATHEMATICS AND COMPUTING↗

The Home Microbiome Project

The Home Microbiome Project is an initiative aimed at uncovering the dynamic co-associations between people's bacteria and the bacteria found in their homes.The hope is that the data and project will show that routine monitoring of the microbial diversity of your body and of the environment in which you live is possible.

59 BASIC BIOLOGICAL SCIENCES↗