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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 271 records · Page 15

Correlated Anion Disorder in Heteroanionic Cubic TiOF 2

Resolving anion configurations in heteroanionic materials is crucial for understanding and controlling their properties. For anion-disordered oxyfluorides, conventional Bragg diffraction cannot fully resolve the anionic structure, necessitating alternative structure determination methods. We have investigated the anionic structure of anion-disordered cubic (ReO 3 -type) TiOF 2 using X-ray pair distribution function (PDF), 19 F MAS NMR analysis, density functional theory (DFT), cluster expansion modeling, and genetic-algorithm structure prediction. Our computational data predict short-range anion ordering in TiOF 2 , characterized by predominant cis-[O 2 F 4 ] titanium coordination, resulting in correlated anion disorder at longer ranges. To validate our predictions, we generated partially disordered supercells using genetic-algorithm structure prediction and computed simulated X-ray PDF data and 19 F MAS NMR spectra, which we compared directly to experimental data. To construct our simulated 19 F NMR spectra, we derived new transformation functions for mapping calculated magnetic shieldings to predicted magnetic chemical shifts in titanium (oxy)fluorides, obtained by fitting DFT-calculated magnetic shieldings to previously published experimental chemical shift data for TiF 4 . We find good agreement between our simulated and experimental data, which supports our computationally predicted structural model and demonstrates the effectiveness of complementary experimental and computational techniques in resolving anionic structure in anion-disordered oxyfluorides. From additional DFT calculations, we predict that increasing anion disorder makes lithium intercalation more favorable by, on average, up to 2 eV, highlighting the significant effect of variations in short-range order on the intercalation properties of anion-disordered materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Perspectives on ENCODE

The Encyclopedia of DNA Elements (ENCODE) Project launched in 2003 with the long-term goal of developing a comprehensive map of functional elements in the human genome. These included genes, biochemical regions associated with gene regulation (for example, transcription factor binding sites, open chromatin, and histone marks) and transcript isoforms. The marks serve as sites for candidate cis-regulatory elements (cCREs) that may serve functional roles in regulating gene expression. The project has been extended to model organisms, particularly the mouse. Finally, in the third phase of ENCODE, nearly a million and more than 300,000 cCRE annotations have been generated for human and mouse, respectively, and these have provided a valuable resource for the scientific community.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling the Transfer Function for the Dark Energy Survey

We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg 2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.

79 ASTRONOMY AND ASTROPHYSICS↗

Adaptive machine learning for time-varying systems: low dimensional latent space tuning

Machine learning (ML) tools such as encoder-decoder convolutional neural networks (CNN) can represent incredibly complex nonlinear functions which map between combinations of images and scalars. For example, CNNs can be used to map combinations of accelerator parameters and images which are 2D projections of the 6D phase space distributions of charged particle beams as they are transported between various particle accelerator locations. Despite their strengths, applying ML to time-varying systems, or systems with shifting distributions, is an open problem, especially for large systems for which collecting new data for re-training is impractical or interrupts operations. Particle accelerators are one example of large time-varying systems for which collecting detailed training data requires lengthy dedicated beam measurements which may no longer be available during regular operations. We present a novel method of adaptive ML for time-varying systems. Our approach is to map very high (N ≈ 100k) dimensional inputs (a combination of scalar parameters and images) into the low dimensional (N ≈ 2) latent space at the output of the encoder section of an encoder-decoder CNN. We then actively tune the low dimensional latent space-based representation of complex system dynamics by the addition of an adaptively tuned feedback vector directly before the decoder sections builds back up to our image-based high-dimensional phase space density representations. This method allows us to learn correlations within and to quickly tune the characteristics of incredibly large parameter space systems and to track their evolution in real time based on feedback without massive new data sets for re-training. We demonstrate that our method can accurately predict and track the phase space of charged particle beams at various locations in a particle accelerator by adaptively adjusting in real-time while the unknown input beam distribution of the accelerator is changing in shape, charge, and offset and while the RF system of the accelerator itself is also changing in an unpredictable way. For FACET-II we demonstrate that such an approach has the potential to use transverse deflecting cavity and energy spread spectrum beam measurements to accurately predict 2D projections of the 6D phase space of the electron beam at the plasma wakefield acceleration interaction point where such diagnostics are unavailable.

47 OTHER INSTRUMENTATION↗

Reionization effective likelihood from Planck 2018 data

We release relike (reionization effective likelihood), a fast and accurate effective likelihood code based on the latest Planck 2018 data that allows one to constrain any model for reionization between 6 < z < 30 using five constraints from the CMB reionization principal components (PC). We tested the code on two example models which showed excellent agreement with sampling the exact Planck likelihoods using either a simple Gaussian PC likelihood or its full kernel density estimate. This code enables a fast and consistent means for combining Planck constraints with other reionization data sets, such as kinetic Sunyaev-Zeldovich effects, line-intensity mapping, luminosity function, star formation history, quasar spectra, etc., where the redshift dependence of the ionization history is important. Since the PC technique tests any reionization history in the given range, we also derive model-independent constraints for the total Thomson optical depth τ PC = $0.0619$$^{+0.0056}_{–0.0068}$ and its 15 ≤ z ≤ 30 high redshift component τ PC (15,30) < 0.020 (95% C.L.). Furthermore, the upper limits on the high-redshift optical depth is a factor of ~3 larger than those reported in the Planck 2018 cosmological parameter paper using the FlexKnot method and we validate our results with a direct analysis of a two-step model which permits this small high-z component.

79 ASTRONOMY AND ASTROPHYSICS↗

F-Hash: Feature-Based Hash Design for Time-Varying Volume Visualization via Multi-Resolution Tesseract Encoding

Interactive time-varying volume visualization is challenging due to its complex spatiotemporal features and sheer size of the dataset. Recent works transform the original discrete time-varying volumetric data into continuous Implicit Neural Representations (INR) to address the issues of compression, rendering, and super-resolution in both spatial and temporal domains. However, training the INR takes a long time to converge, especially when handling large-scale time-varying volumetric datasets. In this work, we proposed F-Hash, a novel feature-based multi-resolution Tesseract encoding architecture to greatly enhance the convergence speed compared with existing input encoding methods for modeling time-varying volumetric data. The proposed design incorporates multi-level collision-free hash functions that map dynamic 4D multi-resolution embedding grids without bucket waste, achieving high encoding capacity with compact encoding parameters. Our encoding method is agnostic to time-varying feature detection methods, making it a unified encoding solution for feature tracking and evolution visualization. Experiments show the F-Hash achieves state-of-the-art convergence speed in training various time-varying volumetric datasets for diverse features. We also proposed an adaptive ray marching algorithm to optimize the sample streaming for faster rendering of the time-varying neural representation.

deep learning↗

Exploiting the Shape of CAN Data for In-Vehicle Intrusion Detection

Modern vehicles rely on scores of electronic control units (ECUs) broadcasting messages over a few controller area networks (CANs). Bereft of security features, in-vehicle CANs are exposed to cyber manipulation and multiple researches have proved viable, life-threatening cyber attacks. Complicating the issue, CAN messages lack a common mapping of functions to commands, so packets are observable but not easily decipherable. We present a transformational approach to CAN IDS that exploits the geometric properties of CAN data to inform two novel detectors - one based on distance from a learned, lower dimensional manifold and the other on discontinuities of the manifold over time. Proof-of-concept tests are presented by implementing a potential attack approach on a driving vehicle. The initial results suggest that (1) the first detector requires additional refinement but does hold promise; (2) the second detector gives a clear, strong indicator of the attack; and (3) the algorithms keep pace with high-speed CAN messages. As our approach is data-driven it provides a vehicle-agnostic IDS that eliminates the need to reverse engineer CAN messages and can be ported to an after-market plugin.

Tyree, Zachariah↗

Use of virus‐induced gene silencing to characterize genes involved in modulating hypersensitive cell death in maize

Abstract Plant disease resistance proteins (R‐proteins) detect specific pathogen‐derived molecules, triggering a defence response often including a rapid localized cell death at the point of pathogen penetration called the hypersensitive response (HR). The maize Rp1‐D21 gene encodes a protein that triggers a spontaneous HR causing spots on leaves in the absence of any pathogen. Previously, we used fine mapping and functional analysis in a Nicotiana benthamiana transient expression system to identify and characterize a number of genes associated with variation in Rp1‐D21 ‐induced HR. Here we describe a system for characterizing genes mediating HR, using virus‐induced gene silencing (VIGS) in a maize line carrying Rp1‐D21 . We assess the roles of 12 candidate genes. Three of these genes, SGT1 , RAR1 , and HSP90 , are required for HR induced by a number of R‐proteins across several plant–pathogen systems. We confirmed that maize HSP90 was required for full Rp1‐D21 ‐induced HR. However, suppression of SGT1 expression unexpectedly increased the severity of Rp1‐D21 ‐induced HR while suppression of RAR1 expression had no measurable effect. We confirmed the effects on HR of two genes we had previously validated in the N. benthamiana system, hydroxycinnamoyltransferase and caffeoyl CoA O‐methyltransferase . We further showed the suppression the expression of two previously uncharacterized, candidate genes, IQ calmodulin binding protein ( IQM3 ) and vacuolar protein sorting protein 37 , suppressed Rp1‐D21 ‐induced HR. This approach is an efficient way to characterize the roles of genes modulating the hypersensitive defence response and other dominant lesion phenotypes in maize.

59 BASIC BIOLOGICAL SCIENCES↗

Computational Assessment of the Impact of Gamma-ray Detector Material Properties on Spectroscopic Performance

Abstract Pacific Northwest National Laboratory (PNNL) is performing a computational assessment of the impact of several important gamma-ray detector material properties (e.g. energy resolution and intrinsic detection efficiency) on the scenario-specific spectroscopic performance of these materials. The research approach combines 3D radiation transport calculations, detector response modeling, and spectroscopic analysis of simulated energy deposition spectra to map the functional dependence of detection performance on the underlying material properties. This assessment is intended to help guide formulation of performance goals for new detector materials within the context of materials discovery programs, with an emphasis on applications in the threat reduction, nonproliferation, and safeguards/ verification user communities. The research results will also provide guidance to the gamma-ray sensor design community in estimating relative spectroscopic performance merits of candidate materials for novel or notional detectors.

Jordan, David V.↗

SU-E-J-72: Dosimetric Study of Cone-Beam CT-Based Radiation Treatment Planning Using a Patient-Specific Stepwise CT-Density Table

Purpose: To assess dose calculation accuracy of cone-beam CT (CBCT) based treatment plans using a patient-specific stepwise CT-density conversion table in comparison to conventional CT-based treatment plans. Methods: Unlike CT-based treatment planning which use fixed CT-density table, this study used patient-specific CT-density table to minimize the errors in reconstructed mass densities due to the effects of CBCT Hounsfield unit (HU) uncertainties. The patient-specific CT-density table was a stepwise function which maps HUs to only 6 classes of materials with different mass densities: air (0.00121g/cm3), lung (0.26g/cm3), adipose (0.95g/cm3), tissue (1.05 g/cm3), cartilage/bone (1.6g/cm3), and other (3g/cm3). HU thresholds to define different materials were adjusted for each CBCT via best match with the known tissue types in these images. Dose distributions were compared between CT-based plans and CBCT-based plans (IMRT/VMAT) for four types of treatment sites: head and neck (HN), lung, pancreas, and pelvis. For dosimetric comparison, PTV mean dose in both plans were compared. A gamma analysis was also performed to directly compare dosimetry in the two plans. Results: Compared to CT-based plans, the differences for PTV mean dose were 0.1% for pelvis, 1.1% for pancreas, 1.8% for lung, and −2.5% for HN in CBCT-based plans. The gamma passing rate was 99.8% for pelvis, 99.6% for pancreas, and 99.3% for lung with 3%/3mm criteria, and 80.5% for head and neck with 5%/3mm criteria. Different dosimetry accuracy level was observed: 1% for pelvis, 3% for lung and pancreas, and 5% for head and neck. Conclusion: By converting CBCT data to 6 classes of materials for dose calculation, 3% of dose calculation accuracy can be achieved for anatomical sites studied here, except HN which had a 5% accuracy. CBCT-based treatment planning using a patient-specific stepwise CT-density table can facilitate the evaluation of dosimetry changes resulting from variation in patient anatomy.

60 APPLIED LIFE SCIENCES↗

On the Nonlinear Dynamics and Quasi-Statics of Tape Joined Structures

Tape joints have been a key tool in assembly of nuclear weapons for almost 40 years. In that time sufficient experience has been gained to have confidence on the robustness of this technology within established design constraints; the structural dynamics of systems assembled by tape joints are much less well understood. Though there is lore that tape joined structures behave linearly in the axial direction, even that is contradicted by the literature, where such structures are found to be bi-linear (nonlinear) in axial modes. Experimental results presented here show much more significant nonlinearity when such systems vibrate in such a way that there is bending across the joint cross-section. In addition, it will be difficult to understand the nonlinear structural dynamics before the pre-loads on the tape joints is known. Therefore, a strategy to deduce the joint pre-loads from surface strain measurements has been developed. This technique exploits finite element analysis to generate an approximate Green’s function to map tape loads to surface strain and employs numerical optimization to solve an inverse problem. This technique is demonstrated on the same test specimen employed in the dynamics experiments.

Segalman, Daniel Joseph↗

Neural Scaling Laws of Deep ReLU and Deep Operator Network: A Theoretical Study

Neural scaling laws play a pivotal role in the performance of deep neural networks and have been observed in a wide range of tasks. However, a complete theoretical framework for understanding these scaling laws remains underdeveloped. In this paper, we explore the neural scaling laws for deep operator networks, which involve learning mappings between function spaces, with a focus on the Chen and Chen style architecture. These approaches, which include the popular Deep Operator Network (DeepONet), approximate the output functions using a linear combination of learnable basis functions and coefficients that depend on the input functions. We establish a theoretical framework to quantify the neural scaling laws by analyzing its approximation and generalization errors. We articulate the relationship between the approximation and generalization errors of deep operator networks and key factors such as network model size and training data size. Moreover, we address cases where input functions exhibit low-dimensional structures, allowing us to derive tighter error bounds. These results also hold for deep ReLU networks and other similar structures. Our results offer a partial explanation of the neural scaling laws in operator learning and provide a theoretical foundation for their applications.

97 MATHEMATICS AND COMPUTING↗

Lean-limit extinction of propane/air mixtures in the stagnation-point flow

The extinction limits of lean propane/air mixtures in the stagnation-point flow of a flat surface were mapped as functions of the surface temperature and the mixture concentration, velocity, and temperature. The maximum flame temperatures and the flame locations were also measured. The results show that the extinction limits are extremely insensitive to the nature of the surface, which can be heated to 1000 C. On the other hand preheating the gas mixture increases the flame temperature by an almost equal amount and therefore significantly extends the extinction limits. It is also found that at extinction the maximum flame temperatures and the flame locations, which when scaled with the velocity gradient, assume almost constant values independent of the other system variables investigated.

Law, C. K.↗

Comparison of an analytical approximation for particle motion in a current sheet with precise numerical calculations

Approximate analytic solutions exist for particle motion in a one-dimensional current sheet with a constant normal magnetic field component. These solutions are tested against precise numerical calculations, and a range of validity of the analytic solutions is inferred. For example, in the geomagnetic tail neutral sheet, for a dawn-dusk electric field of 0.1-1 mV/m, lobe field of 10-40 nT, and sheet thickness of 1000 km, the analytic solutions serve as a good predictor of particle motion when the normal magnetic field component is less than 3 or 4 nT. By using the analytic solutions, initial distribution functions are mapped into final (accelerated) distributions, and the analytic mappings are compared with numerical mappings.

Speiser, T. W.↗

Remote sensing applied to forest resources

The development of methodologies to classify reforested areas using remotely sensed data is discussed. A preliminary study was carried out in northeast of the Sao Paulo State in 1978. The reforested areas of Pinus spp and Eucalyptus spp were based on the spectral, spatial and temporal characteristics fo LANDSAT imagery. Afterwards, a more detailed study was carried out in the Mato Grosso do Sul State. The reforested areas were mapped in functions of the age (from: 0 to 1 year, 1 to 2 years, 2 to 3 years, 3 to 4 years, 4 to 5 years and 5 to 6 years) and of the heterogeneity stand (from: 0 to 20%, 20 to 40%, 40 to 60%, 60 to 80% and 80 to 100%). The relative differences between the artificial forest areas, estimated from LANDSAT data and ground information, varied from -8.72 to +9.49%. The estimation of forest volume through a multistage sampling technique, with probability proportional to size, is also discussed.

Hernandezfilho, P.↗

Development testing of TSS-1 Deployer tether control system mechanisms

Successful tether deployment and retrieval, consistent with established control laws, is predicated upon statusing real time tether dynamic conditions. This paper reports on the initial phase of engineering tests performed on various components and subassemblies integral to the TSS-1 tether control system as part of the TSS Deployer. The tests were conducted as part of the tether control system development and verification plan to confirm the functionality and map the performance of the hardware in both ambient and environmental test conditions. The result of this development effort is a lessons-learned list and design upgrades to both the flight and test hardware and to the test methods and procedures.

Bentley, D. P.↗