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At least 991 records · Page 55

Chemical signature characterization with hyperspectral imagery: novel deep learning model architectures and physically-motivated data augmentation techniques

The high spectral resolution afforded by Hyperspectral Imaging (HSI) sensors is poised to bring unprecedented advancements to signature characterization applications. Thus far, much of the research in the machine learning field devoted to HSI applications has focused on a few specific tasks like land-use land-cover classification. In land classification tasks, spatial information is very important, and model architectures are often designed to leverage spatial contexts. However, it is unclear how well these spatially-tuned models will translate to tasks where spectral information is critical, like the detection and characterization of chemicals. In this work, we compare spectral models (inputs are 1D spectra) and spatial-spectral models (inputs are 3D cubes) in the context of predicting chemical concentration maps. We find that spatial-spectral models perform the best, though we find a wide range in performance across the different architectures tested. Additionally, we find that model performance is impacted by the availability of training data, particularly in scenarios where the training data doesn't fully capture the true variance of real-world conditions. We find that data augmentation can help mitigate sparse coverage of observed parameter space (e.g., seasonal or geographic variability in ground cover), and present augmentation strategies that are tailored to hyperspectral data.

• Artificial intelligence (AI) / machine learning ↗

Escaping the fate of Sisyphus: assessing resistome hybridization baits for antimicrobial resistance gene capture

Finding, characterizing and monitoring reservoirs for antimicrobial resistance (AMR) is vital to protecting public health. Hybridization capture baits are an accurate, sensitive and cost-effective technique used to enrich and characterize DNA sequences of interest, including antimicrobial resistance genes (ARGs), in complex environmental samples. We demonstrate the continued utility of a set of 19 933 hybridization capture baits designed from the Comprehensive Antibiotic Resistance Database (CARD)v1.1.2 and Pathogenicity Island Database (PAIDB)v2.0, targeting 3565 unique nucleotide sequences that confer resistance. We demonstrate the efficiency of our bait set on a custom-made resistance mock community and complex environmental samples to increase the proportion of on-target reads as much as >200-fold. However, keeping pace with newly discovered ARGs poses a challenge when studying AMR, because novel ARGs are continually being identified and would not be included in bait sets designed prior to discovery. Here we provide imperative information on how our bait set performs against CARDv3.3.1, as well as a generalizable approach for deciding when and how to update hybridization capture bait sets. This research encapsulates the full life cycle of baits for hybridization capture of the resistome from design and validation (both in silico and in vitro) to utilization and forecasting updates and retirement.

59 BASIC BIOLOGICAL SCIENCES↗

Plasma Flow Reactor Investigation into Nucleation of Uranium Oxide on Silica Substrates to Better Understand Fallout Formation

Understanding particulate formation in nuclear debris is critical for predicting fallout transport after a nuclear event. Improved characterization of fallout formation and transport could lead to better guidance for emergency response in a post-detonation scenario. By analyzing how U-oxides nucleate onto different forms of SiO 2 (crystalline and amorphous), we can gain insight into how entrained environmental materials may incorporate into fallout. In this experiment a Plasma Flow Reactor (PFR), was used to replicate the high temperature and extreme flow conditions in a nuclear fireball. Uranyl nitrate was injected into the plasma, and PFR-generated Uranium oxides were allowed to condense onto amorphous (nanoparticles of varying sizes) or crystalline (quartz) SiO 2 substrates. SiO 2 substrates were characterized before and after U-oxide deposition using Scanning Electron Microscopy (SEM) based techniques (i.e. EDS) in order to characterize how U-oxides may nucleate onto these substrates. After a collection time of 4 minutes at an RF coil distance of 25cm, both the amorphous SiO 2 nanoparticles and the crystalline structures demonstrated dendritic nucleation of U-oxide species as identified by SEM/EDS.

54 ENVIRONMENTAL SCIENCES↗

Preparation and Characterization of Inclusion Complexes of β-Cyclodextrin and Phenolics from Wheat Bran by Combination of Experimental and Computational Techniques

Bitterness often associated with whole wheat products may be related to phenolics in the bran. Cyclodextrins (CDs) are known to form inclusion complexes. The objective was to form inclusion complexes between β-CD and wheat phenolics. Pure phenolic acids (trans-ferulic acid (FA), caffeic acid (CA), and p-coumaric acid (CO)) and phenolic acids from wheat bran were used to investigate complex formation potential. Complexes were characterized by spectroscopy techniques, and a computational and molecular modeling study was carried out. The relative amount of complex formation between β-CD and wheat bran extract was CA > CO > FA. The phenolic compounds formed inclusion complexes with β-CDs by non-covalent bonds. The quantum-mechanical calculations supported the experimental results. The most stable complex was CO/β-CD complex. The ΔH value for CO/β-CD complex was -11.72 kcal/mol and was about 3 kcal/mol more stable than the other complexes. The QSPR model showed good correlation between binding energy and 1H NMR shift for the H5 signal. This research shows that phenolics and β-CD inclusion complexes could be utilized to improve the perception of whole meal food products since inclusion complexes have the potential to mask the bitter flavor and enhance the stability of the phenolics in wheat bran.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-Energy X-ray Diffraction Microscopy for Nuclear Forensics (FY23 Project Report)

Morphological information on nuclear material has been identified using visible light and scanning electron microscopy. These identify qualitative differences in particle morphology. Three-dimensional imaging of materials through alternating scanning electron microscopy imaging and focused ion beam milling has also been used. Unfortunately, these techniques are time- and labor-intensive, with significant sample preparation required and lengthy analysis times. Further, the resulting 3D images are qualitative, require manual identification, and do not capture statistically-representative populations. High energy X-ray 3D imaging using a direct-beam or diffracted-beam (High-Energy Diffraction Microscopy) have been developed at the Advanced Photon Source and can produce quantitative information on grains (phase, location, etc.) and pores (size distribution, sphericity) in a material. These techniques require only minutes to characterize a sample volume and are non-destructive, thus suitable for a wide range of existing samples and for confirmatory analyses to be carried out using conventional microscopy techniques.

36 MATERIALS SCIENCE↗

Fundamental 235 Uranium Nuclear Resonance Spectroscopy (End of Year Report)

Uranium-235 is ubiquitous in the nuclear industry however, detailed characterization by magnetic resonance spectroscopy has remained largely elusive to-date. Conventional nuclear magnetic resonance techniques are ill-suited for characterizing 235 U due to the small gyromagnetic ratio and extremely large quadrupole moment of this spin$^{7}$ /2 isotope. Thus, we have designed and built a high-frequency nuclear quadrupole resonance spectrometer for measuring the quadrupole resonance of this important isotope. A successful nuclear quadrupole resonance measurement of 235 U would be a significant accomplishment and could yield valuable physical parameters such as chemical shifts, local electric field gradients, and through-bond and through-space internuclear couplings, all of which are directly related to local structure. These terms can be used to understand structural details of poorly characterized uranium materials and can improve computational models of uranium for which accurate reference data is lacking

07 ISOTOPE AND RADIATION SOURCES↗

Recent progress in understanding solid electrolyte interphase on lithium metal anode

Lithium (Li) metal batteries (LMBs) are among the most promising candidates of next-generation high-energy-density rechargeable batteries. Solid electrolyte interphase (SEI) on Li metal anode plays a significant role which influences the Li deposition morphology and the cycle life of LMBs. Although SEI is the most important part, a thorough understanding of SEI is inadequate. In this review, we focus on the progresses of understanding on structures, properties and influencing factors of SEI as well as efficient strategies of tailoring SEI. First, the compositions, models and recent progresses on characterizing atomic structure of SEI are summarized. Second, the properties of SEI, including electronic conduction, ionic conduction, stability and mechanical properties are elucidated. Structures and properties of SEI are greatly influenced by multiple factors such as solvent, salt, additive, solvation structure, impurity, current density, temperature, pressure and capacity utilization. Thus, interactions between these factors and SEI are comprehensively discussed. Correlations of SEI with Li deposition morphology, rate capability and cycle life are further summarized. Moreover, efficient strategies of tailoring SEI with desired properties, including in-situ SEI and ex-situ SEI are also reviewed. Despite the significant progresses that have been achieved in the researches of SEI, better understanding of SEI is still highly demand. Finally, future directions especially in-operando techniques, multi-modality approaches for characterization of SEI and artificial intelligence assisted understanding of correlation between electrolyte components and SEI properties are proposed.

Wu, Haiping↗

Three-dimensional seismic characterization and imaging of the Soda Lake geothermal field

Accurate characterization of subsurface geophysical properties and detection of the fault system are essential for geothermal energy exploration and production. The Soda Lake geothermal field is in western Nevada with a complex fault system. Previous seismic characterization only produced a low-resolution, smooth velocity model along with a simple, conceptual fault model. Using optimized correlation-based full-waveform inversion, wavefield-separation-based reverse-time migration, and automatic fault detection techniques, we present 3D seismic characterization for the Soda Lake geothermal field using 3D surface seismic data acquired with Vibroseis sources. Here, we obtain 3D high-resolution velocity, density, and acoustic impedance models, 3D seismic images with different grid spacings, and a high-resolution fault system. Consistency check between the constructed faults and currently active injection and production geothermal wells verifies that our seismic inversion and imaging results and detected faults are reliable. These results can provide valuable information for optimizing well placement and geothermal energy production at the Soda Lake geothermal field.

15 GEOTHERMAL ENERGY↗

Advancing Reel-to-Reel Inspection Techniques for Long HTS Conductors: Comparison and Innovations

The continuous advancement of high-temperature superconductor (HTS) technologies has greatly accelerated the development and deployment of HTS applications. Among the critical tools supporting these advancements are reel-to-reel (R2R) critical current (I c ) measurement techniques, which are extensively used by both manufacturers and end users to characterize long-length REBCO conductors. These techniques play a vital role in quality assurance and quality control (QA/QC), ensuring the reliability and performance of HTS conductors and applications throughout the production cycle. We have developed a range of in-house devices for R2R measurements at the University of Houston and Princeton Plasma Physics Laboratory. These include one-dimensional (1D) scan using a magnetic circuit (MC) and two-dimensional (2D) magnetic field mapping systems based on scanning probe array microscope (SPAM) or scanning probe microscopy (SPM). Each technique offers distinct advantages: the MC system provides ultra-fast scanning speeds, ideal for rapid inspection in large-scale industrial production; the high-resolution SPM delivers detailed insights for conductor research and development; and the SPAM, with its simpler mechanical setup, can be upgraded for higher field and lower temperature conditions with a balanced 2D resolution. Here we compared the magnetization and detection capabilities of these techniques through experiments on rare-earth barium copper oxide (REBCO) coated conductor samples, with data analysis supported by numerical simulations. Based on our comprehensive comparative studies, we propose enhancements for each measurement system and provide guidelines for selecting the optimal technique combinations to meet specific application requirements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Opinion: Lighting Research During and After the Pandemic

For many lighting researchers, the recent restrictions related to COVID-19 have paused most in-person laboratory or field experiments. In certain countries, regulatory institutions have allowed such experiments to resume but issued safety recommendations like pre-checking participants for disease symptoms and excluding those that are especially vulnerable. To avoid potential complications and delays, researchers are likely to resort to other research designs that enable remote research — eliminating the need for the experimenter and subjects to be in the same room. While unanticipated, this shift to remote research methods is an opportunity to revisit and further develop remote experimental techniques, which can have beneficial long-lasting implications on lighting research during and after the pandemic. Perhaps the most common type of remote research is online experiments; which can greatly benefit from improved techniques to allow for greater control or characterization of experimental conditions, like those proposed by Villa and Labayrade . These techniques require validation specific to the type of response collected and context, e.g. space type and attributes. New research techniques continue to emerge and will enable remote collection of objective measures such as gaze direction and high dynamic range images (HDRIs) without specialized equipment. In fact, many of these methods and techniques are commonly used in other disciplines, like vision science and psychology, and can be adapted for lighting research. Not all lighting studies can be conducted online, but in the age of ubiquitous and connected technologies, there is a largely missed opportunity to utilize crowdsourced responses to lighting conditions in real environments where people live and go about their daily lives without the research being limited to a certain time and laboratory locations. For instance, outdoor street luminaires can be rated by passersby using ecological momentary assessments on mobile phones. While this approach does not provide laboratory-level control over experimental conditions, it can provide more contextual responses resulting from ‘normal’ dynamic gaze, behavior, and interactions. Further, it can also reduce bias related to the experimental setting. Further development of remote research methods and their use in lighting research can improve the quality of lighting research. Given that sample sizes in most lighting research are relatively small, remote research can substantially increase sample sizes, reduce research costs, and shorten study duration, all while reducing interaction between experimenter and subjects. Another benefit is reaching a wider audience and including under-represented individuals who typically are not reachable using common recruitment methods. The pandemic has set back our plans for in-lab experiments, but can it inspire us to think of new and creative ways to expand lighting research?

Abboushi, Belal K.↗

Predicting Local Material Thickness from Steady-State Ultrasonic Wavefield Measurements Using a Convolutional Neural Network

Acoustic steady-state excitation spatial spectroscopy (ASSESS) is a full-field, ultrasonic non-destructive evaluation (NDE) technique used to locate and characterize defects in plate-like structures. ASSESS generates a steady-state, single-tone ultrasonic excitation in a structure and a scanning laser Doppler Vibrometer (LDV) measures the resulting full-field surface velocity response. Traditional processing techniques for ASSESS data rely on wavenumber domain analysis. This paper presents the alternative use of a convolutional neural network (CNN), trained using simulated ASSESS data, to predict the local plate thickness at every pixel in the wavefield measurement directly. The defect detection accuracy of CNN-based thickness predictions are shown to improve for defects of greater size, and for defects with higher thickness reductions. The CNN demonstrates the ability to predict thickness accurately in regions where Lamb wave dispersion relations are complex or unknown, such as near the boundaries of a test specimen, so long as the CNN is trained on data that accounts for these regions. The CNN also shows generalizability to ASSESS experimental data, despite an entirely simulated training dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Tunable chiral and nematic states in the triple-Q antiferromagnet Co 1/3 TaS 2

Complex spin configurations in magnetic materials, ranging from collinear single-Q to non-coplanar multi-Q states, exhibit rich symmetry and chiral properties. However, their detailed characterization is often hindered by the limited spatial resolution of neutron diffraction techniques. Here we employ magnetic circular dichroism and magnetic linear dichroism to investigate the triangular lattice antiferromagnet Co 1/3 TaS 2 , revealing three-state (Z 3 ) nematicity and also spin chirality across its multi-Q magnetic phases. At intermediate temperatures, the presence of linear dichroism identifies nematicity arising from a single-Q stripe phase, while at high magnetic fields and low temperatures, a phase characterized solely by circular dichroism emerges, signifying a purely chiral non-coplanar triple-Q state. Notably, at low temperatures and small fields, we discover a unique phase where both chirality and nematicity coexist. A theoretical analysis based on a continuous multi-Q manifold captures the emergence of these distinct magnetic phases, as a result of the interplay between four-spin interactions and weak magnetic anisotropy. Additionally, both circular and linear dichroism microscopy spatially resolves the chiral and nematic domains. Our findings establish Co 1/3 TaS 2 as a rare platform hosting diverse multi-Q states with distinct combinations of spin chirality and nematicity while demonstrating the effectiveness of polarized optical techniques in characterizing complex magnetic textures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterization and repair of core gap manufacturing defects for wind turbine blades

Various wind turbine blade components, such as shear webs and skins, commonly use fiber-reinforced composite sandwich structures with a core material like balsa or foam. During manufacturing, core gap defects may result from the misalignment of adjacent foam or balsa core sheets in the blade mold. It is important to understand the influence that core gaps have on the structural integrity of wind turbine blades and how to mitigate their influence. This research characterized the effects of core gap defects at the manufacturing and mechanical levels for both epoxy and next-generation thermoplastic composites. Common repair methods were assessed and compared. Multiple defect sizes were compared using temperature data gathered with thermocouples embedded during manufacturing to core gap defect characteristics obtained using image-mapping techniques, optical microscopy, and mechanical characterization by long beam flexure. Results showed that peak exothermic temperatures during curing were closely related to core gap size. The long beam flexure tests determined that transverse core gaps under pure bending loads can have a substantial effect on the ultimate facesheet strength of both epoxy and thermoplastic composite sandwich structures (up to 25% strength reduction), although the size of the defect itself had less of an influence on the magnitude of the strength reduction. The supporting image-mapping techniques indicated that the distortion of the composite facesheets by the core gaps contributed to the premature failures. The repair methods used in this study did very little to improve the ultimate strength of the sandwich panels that previously had core gap defects. The repair of the thermoplastic panel resulted in a further loss in ultimate facesheet strength. This research demonstrated that there is a vital need for the development of a compatible thermoplastic polymer repair resin system and appropriate resin specific repair procedures for the next generation of recyclable thermoplastic wind blades.

17 WIND ENERGY↗

Environmentally Assisted Cracking Research for Current and Advanced Nuclear Structural Materials

Understanding environmentally assisted cracking is an important aspect of nuclear materials research, as it provides information about failure mechanisms that lead to safety concerns or shutdowns. Idaho National Laboratory has ongoing research to understand how materials behave in the harsh nuclear environments for both the current fleet of light water reactors, as well as advanced reactors, where materials are exposed to more extreme environments. Corrosion and cracking of current materials, advanced materials, and materials formed through advanced manufacturing techniques are being examined, with particular interest in irradiation effects on corrosion and cracking, as well as the effects of environmental impurities. Testing, such as stress corrosion cracking, corrosion fatigue, and in-situ crack growth measurements, as well as a suite of characterization tools, including electron microscopy techniques and x-ray computed tomography, are being utilized to better understand the material response, limitations, and cracking mechanisms to ensure safe and reliable nuclear plants.

36 MATERIALS SCIENCE↗

O 2 based resonantly ionized photoemission thermometry analysis of supersonic flows

Characterization of the thermal gradients within supersonic and hypersonic flows is essential for understanding transition, turbulence, and aerodynamic heating. Developments in novel, impactful non-intrusive techniques are key for enabling flow characterizations of sufficient detail that provide experimental validation datasets for computational simulations. In this work, Resonantly Ionized Photoemission Thermometry (RIPT) signals are directly imaged using an ICCD camera to realize the techniques 1D measurement capability for the first time. The direct imaging scheme presented for oxygen-based RIPT (O 2 RIPT) uses the previously established calibration data to direct excite various resonant rotational peaks within the S-branch of the C 3 Π, ( v = 2) ← X 3 Σ( v ′ = 0) absorption band of O 2 . The efficient ionization of O 2 liberates electrons that induce electron avalanche ionization of local N 2 molecules generating N 2 + , which primarily deexcites via photoemissions of the first negative band of N 2 + ( B 2 Σ <#comment/> u + − <#comment/> X 2 Σ <#comment/> g + ) . When sufficient lasing energy is used, the ionization region and subsequent photoemission signal is achieved along a 1D line thus, if directly imaged can allow for gas temperature assignments along said line; demonstrated here of up to five centimeters in length. The temperature gradients present within the ensuing shock train of a supersonic under expanded free jet serves as a basis of characterization for this new RIPT imaging scheme. The O 2 RIPT results are extensively compared and validated against well-known and established techniques (i.e., CARS and CFD). The direct imaging capability fully realizes the technique’s fundamental potential and is expected to be the standard of implementation going forward. The direct imaging capability can play instrumental roles in future scientific studies that rely upon acute characterization of thermal gradients within a medium that cannot be easily resolved by a point. Furthermore, the removal of the spectrometer greatly reduces the cost, complexity, and optical alignment associated with prior RIPT measurements.

42 ENGINEERING↗