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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Genome-wide discovery of G-quadruplexes in barley

G-quadruplexes (G4s) are four-stranded nucleic acid structures with closely spaced guanine bases forming square planar G-quartets. Aberrant formation of G4 structures has been associated with genomic instability. However, most plant species are lacking comprehensive studies of G4 motifs. In this study, genome-wide identification of G4 motifs in barley was performed, followed by a comparison of genomic distribution and molecular functions to other monocot species, such as wheat, maize, and rice. Similar to the reports on human and some plants like wheat, G4 motifs peaked around the 5' untranslated region (5' UTR), the first coding domain sequence, and the first intron start sites on antisense strands. Our comparative analyses in human, Arabidopsis, maize, rice, and sorghum demonstrated that the peak points could be erroneously merged into a single peak when large window sizes are used. We also showed that the G4 distributions around genic regions are relatively similar in the species studied, except in the case of Arabidopsis. G4 containing genes in monocots showed conserved molecular functions for transcription initiation and hydrolase activity. Additionally, we provided examples of imperfect G4 motifs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Simulation-based analysis of different curb space type allocations on curb performance

Curbspace is a limited resource in urban areas. Delivery, ridehailing and passenger vehicles must compete for spaces at the curb. Cities are increasingly adjusting curb rules and allocating curb spaces for uses other than short-term paid parking, yet they lack the tools or data needed to make informed decisions. In this research, we analyze and quantify the impacts of different curb use allocations on curb performance through simulation, covering various mixes of curbspace uses (bus stops, paid parking, passenger pick-up/drop-off zones, and commercial vehicle loading zones), parking rules, and driver rule compliance. Three metrics (including two new ones) are developed to evaluate the performance of the curb, covering productivity and accessibility of passengers and goods, and CO 2 emissions. The metrics are calculated for each scenario across a wide range of input parameters (traffic volume, parking demand rate, vehicle dwell time, and street design speed) and compared to each other and to a baseline scenario. This work can inform policy decisions by providing municipalities a tool to analyze various curb management strategies and choose the ones that produce results more in line with their policy goals.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Predictive Control to Further Reduce DC-Link Capacitor Current Stress for Segmented Inverter

Two three-phase interleaved inverters have been used in traction drive applications to reduce the current stress in a DC link capacitor bank. In such applications, either carrier-based or space vector modulation is used to select the optimum switching sequences, and the results show 50% less capacitor current than that of a single three-phase inverter. The switching state selection process for this inverter is tedious, and there has been no research to find the optimal switching state. To overcome this challenge, this research employed a simple finite set model predictive control to select the optimum switching sequence for a dual three-phase interleaved topology, called a segmented inverter. The results show that the predictive control algorithm can provide a simple solution and can reduce the current stress by 27% compared with traditional modulation techniques for the segmented inverters.

Ribeiro, Pedro↗
DOE OSTI2023

Reliability Improvement by Fault-Tolerant Operation of NPC Inverter for Motor Driving

The high-reliability operation of three-level inverters is crucial to prevent equipment damage, process downtime, and economic losses. This article investigates a three-level neutral-point-clamped inverter under all possible combinations of open-circuit and short-circuit faults and proposes a new postfault operation method without adding extra hardware. This method provides comprehensive solution for operations after single and multiple-device failures, increasing the inverter reliability by 24%. This article classified postfault modulations and uncovered previously unknown fault scenarios that can be addressed using the proposed control method. A new postfault modulation based on space vector modulation with virtual vectors is proposed. The feasibility of the proposed control method is verified by simulation and an experiment for one fault scenario in a three-level neutral-point-clamped inverter with a 3.73 kW motor load. Furthermore, this article contributes to improving the reliability of three-level inverters.

42 ENGINEERING↗
DOE OSTI2020

Vector Field Decompositions Using Multiscale Poisson Kernel

Extraction of multiscale features using scale-space is one of the fundamental approaches to analyze scalar fields. However, similar techniques for vector fields are much less common, even though it is well known that, for example, turbulent flows contain cascades of nested vortices at different scales. The challenge is that the ideas related to scale-space are based upon iteratively smoothing the data to extract features at progressively larger scale, making it difficult to extract overlapping features. Instead, we consider spatial regions of influence in vector fields as scale, and introduce a new approach for the multiscale analysis of vector fields. Rather than smoothing the flow, we use the natural Helmholtz-Hodge decomposition to split it into small-scale and large-scale components using progressively larger neighborhoods. Our approach creates a natural separation of features by extracting local flow behavior, for example, a small vortex, from large-scale effects, for example, a background flow. We demonstrate our technique on large-scale, turbulent flows, and show multiscale features that cannot be extracted using state-of-the-art techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Data-Driven Model Reduction of Multiphase Flow in a Single-Hole Automotive Injector

Fuel injector design has a substantial influence on the performance and emissions of direct injection engines. To date, large eddy simulations coupled with a single-fluidmixture modeling approach have shown great success in evaluating the complex interplay among injector design, fuel properties, and operating conditions on the injector performance. However, this simulation approach is too computationally expensive to be used by industry routinely for injector design due to the fine temporal and spatial resolution required to resolve wall-bounded flow within the injector. The work presented in this paper highlights a potential pathway to addressing this issue. To study the influence of injector design, fuel properties, and operating conditions on injector performance, large eddy simulations were performed to model the turbulent multiphase flow development through a side-oriented singlehole diesel injector. Using Latin hypercube sampling, the design space spanning a range of fuel properties, operating conditions, and needle lifts were explored. Two techniques for dimensionality reduction, namely proper orthogonal decomposition and autoencoders, were compared to evaluate their accuracy in representing the flow in a reduced dimensional space. Finally, based on the findings from this work, recommendations are provided in using machine learning approaches within the context of emulation to construct reduced-ordermodels for internal flow development relevant to automotive applications.

42 ENGINEERING↗
DOE OSTI2022

Uniform Recalibration of Common Spectrophotometry Standard Stars onto the CALSPEC System Using the SuperNova Integral Field Spectrograph

Abstract We calibrate spectrophotometric optical spectra of 32 stars commonly used as standard stars, referenced to 14 stars already on the Hubble Space Telescope–based CALSPEC flux system. Observations of CALSPEC and non-CALSPEC stars were obtained with the SuperNova Integral Field Spectrograph over the wavelength range 3300–9400 Å as calibration for the Nearby Supernova Factory cosmology experiment. In total, this analysis used 4289 standard-star spectra taken on photometric nights. As a modern cosmology analysis, all presubmission methodological decisions were made with the flux scale and external comparison results blinded. The large number of spectra per star allows us to treat the wavelength-by-wavelength calibration for all nights simultaneously with a Bayesian hierarchical model, thereby enabling a consistent treatment of the Type Ia supernova cosmology analysis and the calibration on which it critically relies. We determine the typical per-observation repeatability (median 14 mmag for exposures ≳5 s), the Maunakea atmospheric transmission distribution (median dispersion of 7 mmag with uncertainty 1 mmag), and the scatter internal to our CALSPEC reference stars (median of 8 mmag). We also check our standards against literature filter photometry, finding generally good agreement over the full 12 mag range. Overall, the mean of our system is calibrated to the mean of CALSPEC at the level of ∼3 mmag. With our large number of observations, careful cross-checks, and 14 reference stars, our results are the best calibration yet achieved with an integral-field spectrograph, and among the best calibrated surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Quantifying Leaf Chlorophyll Concentration of Sorghum from Hyperspectral Data Using Derivative Calculus and Machine Learning

Leaf chlorophyll concentration (LCC) is an important indicator of plant health, vigor, physiological status, productivity, and nutrient deficiencies. Hyperspectral spectroscopy at leaf level has been widely used to estimate LCC accurately and non-destructively. This study utilized leaf-level hyperspectral data with derivative calculus and machine learning to estimate LCC of sorghum. We calculated fractional derivative (FD) orders starting from 0.2 to 2.0 with 0.2 order increments. Additionally, 43 common vegetation indices (VIs) were calculated from leaf spectral reflectance factor to make comparisons with reflectance-based data. Within the modeling pipeline, three feature selection methods were assessed: Pearson’s correlation coefficient (PCC), partial least squares based variable importance in the projection (VIP), and random forest-based mean decrease impurity (MDI). Finally, we used partial least squares regression (PLSR), random forest regression (RFR), support vector regression (SVR), and extreme learning regression (ELR) to estimate the LCC of sorghum. Results showed that: (1) increasing derivative order can show improved model performance until certain order for reflectance-based analysis; however, it is inconclusive to state that a particular order is optimal for estimating LCC of sorghum; (2) VI-based modeling outperformed derivative augmented reflectance factor-based modeling; (3) mean decrease impurity was found effective in selecting sensitive features from large feature space (reflectance-based analysis), whereas simple Pearson’s correlation coefficient worked better with smaller feature space (VI-based analysis); and (4) SVR outperformed all other models within reflectance-based analysis; alternatively, ELR with VIs from original reflectance yielded slightly better results compared to all other models.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Shallow-circuit variational quantum eigensolver based on symmetry-inspired Hilbert space partitioning for quantum chemical calculations

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled-cluster Ansatz, we demonstrate that partitioning of the Hilbert space made possible by the point-group symmetry of the molecular systems greatly reduces the number of variational operators by confining the variational search within a subspace. In addition, we found that instead of including all subterms for each excitation operator, a single-term representation suffices to reach required accuracy for various molecules tested, resulting in an additional shortening of the quantum circuit by a factor of 4–8. With these strategies, VQE calculations on a noise-free quantum simulator achieve energies within a few meVs of those obtained with the full unitary coupled-cluster Ansatz with single and double excitations for the H 4 -square, H 4 -chain, and H 6 -hexagon molecules, while the number of cnot gates, a measure of the quantum-circuit depth, is reduced by a factor of as large as 35. Furthermore, we introduced an efficient “score” parameter to rank the excitation operators, so that the operators causing larger energy reduction can be applied first. Using the H 4 square and H 4 chain as examples, We demonstrated on noisy quantum simulators that the first few variational operators can bring the energy within the chemical accuracy, while additional operators do not improve the energy since the accumulative noise outweighs the gain from the expansion of the variational Ansatz.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Studies of whistler propagation along a plasma density gradient that is parallel to the magnetic field

Low frequency plasma wave generation in space is important for both scientific and practical applications. One of the most promising techniques for doing this is to directly inject whistler waves into the space environment from an antenna onboard one or more satellites. This technique has been discussed for years, but there are still open questions about the best way to generate plasma waves. So far, most theoretical [Kondrat92], lab based [Pribyl2010, Stenzel2016] and space-based experiments [DSX] have focused on studying the generation of whistler waves from an electric dipole antenna. However, a dipole antenna is very inefficient because it puts a lot of energy in waves that are not effective for most applications. Theoretical [Kondrat92] and lab experimental [Stenzel2016] results indicate that a loop antenna is much more efficient at generating whistler waves than a dipole antenna. A satellite experiment will need to be developed to demonstrate that whistler waves can be generated from a loop antenna in the space environment. The challenge is that to efficiently transmit whistler modes in the natural plasma environment of space, the loop antenna will have to be very large. For example, at L=2 (one earth radius away from the surface of the earth) a loop antenna would need a radius on the order of ~200 m to radiate efficiently, as shown in fig. 1, left. The antenna size and complexity would require a prohibitively large and expensive satellite mission. Our proposed innovation is to exploit the fact that the characteristic wavelength of whistler waves decreases in more dense plasma, which reduces the size needed for an antenna to radiate efficiently. Fortunately, a technique already exists for enhancing the local plasma density in space, called a plasma contactor [Kovaleski2001]. A plasma contactor can be used to create a local environment where the plasma density is enhanced around the satellite, which in turn reduces the size of an antenna that is needed to radiate efficiently (Fig. 1, right).

42 ENGINEERING↗
DOE OSTI2020

Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets

Thousands of chemical properties can be calculated for small molecules, which can be used to place the molecules within the context of a broader “chemical space.” These definitions vary based on compounds of interest and the goals for the given chemical space definition. Here, we introduce a customizable (i.e., modular) Python module, chespa, built to easily assess different chemical space definitions through cluster-ing of compounds in these spaces and visualize trends of these clusters. To demonstrate this, chespa currently streamlines prediction of vari-ous molecule descriptors (predicted chemical properties, molecular substructures, AI-based chemical space, and chemical class ontology) in order to test 6 different chemical space definitions. Furthermore, we investigated how these varying definitions trend with mass spectrometry (MS)-based observability, i.e., the ability of a molecule to be observed with MS (e.g., as a function of the molecule ionizability), using an example data set from the U.S. EPA's Non-Targeted Analysis Collaborative Trial (ENTACT), where blinded samples had been analyzed previously, providing 1,398 data points. Improved understanding of observability would offer many advantages in small molecule identifica-tion, such as (i) a priori selection of experimental conditions based on suspected sample composition, (ii) the ability to reduce the number of candidate structures during compound identification by removing those less likely to ionize, and, in turn, (iii) a reduced false discovery rate and increased confidence in identifications. Factors controlling observability are not fully understood, making prediction of this property non-trivial and a prime candidate for chemical space analysis. Chespa is available at github.com/pnnl/chespa.

Nunez, Jamie↗
DOE OSTI2020

Dynamic Manipulation in Piezoresponse Force Microscopy: Creating Nonequilibrium Phases with Large Electromechanical Response

We discuss how domain walls and topological defects in ferroelectric materials have emerged as a powerful tool for functional electronic devices including memory and logic. Similarly, wall interactions and dynamics underpin a broad range of mesoscale phenomena ranging from giant electromechanical responses to memory effects. Exploring the functionalities of individual domain walls, their interactions, and controlled modifications of the domain structures is crucial for applications and fundamental physical studies. However, the dynamic nature of these features severely limits studies of their local physics since application of local biases or pressures in piezoresponse force microscopy induce wall displacement as a primary response. Here, we introduce an approach for the control and modification of domain structures based on automated experimentation, whereby real-space image-based feedback is used to control the tip bias during ferroelectric switching, allowing for modification routes conditioned on domain states under the tip. This automated experiment approach is demonstrated for the exploration of domain wall dynamics and creation of metastable phases with large electromechanical response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Twenty Years of Progress, Challenges, and Opportunities in Measuring and Understanding Soil Respiration

Abstract Soil respiration (Rs), the soil‐to‐atmosphere flux of CO 2 , is a dominant but uncertain part of the carbon cycle, even after decades of study. This review focuses on progress in understanding Rs from laboratory incubations to global estimates. We survey key developments of in situ ecosystem‐scale Rs observations and manipulations, synthesize Rs meta‐analyses and global flux estimates, and discuss the most compelling challenges and opportunities for the future. Increasingly sophisticated lab experiments have yielded insights into the interaction among heterotrophic respiration, substrate supply, and enzymatic kinetics, and extended incubation‐based analyses across space and time. Observational and manipulative field‐based experiments have used improved measurement approaches to deepen our understanding of the integrated effects of environmental change and disturbance on Rs. Freely‐available observational databases have enabled meta‐analyses and studies probing the magnitude of, and constraints on, the global Rs flux. Key challenges for the field include expanding Rs measurements, experiments, and opportunities to under‐represented communities and ecosystems; reconciling independent estimates of global respiration fluxes and trends; testing and leveraging the power of machine learning and process‐based models, both independently and in conjunction with each other; and continuing the field's tradition of using novel experiments to explore diverse mechanisms and ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Neutron Radiography and Computed Tomography of Biological Systems at the Oak Ridge National Laboratory's High Flux Isotope Reactor

Neutrons have historically been used for a broad range of biological applications employing techniques such as small-angle neutron scattering, neutron spin echo, diffraction, and inelastic scattering. Unlike neutron scattering techniques that obtain information in reciprocal space, attenuation-based neutron imaging measures a signal in real space that is resolved on the order of tens of micrometers. The principle of neutron imaging follows the Beer-Lambert law and is based on the measurement of the bulk neutron attenuation through a sample. Greater attenuation is exhibited by some light elements (most notably, hydrogen), which are major components of biological samples. Contrast agents such as deuterium, gadolinium, or lithium compounds can be used to enhance contrast in a similar fashion as it is done in medical imaging, including techniques such as optical imaging, magnetic resonance imaging, X-ray, and positron emission tomography. For biological systems, neutron radiography and computed tomography have increasingly been used to investigate the complexity of the underground plant root network, its interaction with soils, and the dynamics of water flux in situ. Moreover, efforts to understand contrast details in animal samples, such as soft tissues and bones, have been explored. This manuscript focuses on the advances in neutron bioimaging such as sample preparation, instrumentation, data acquisition strategy, and data analysis using the High Flux Isotope Reactor CG-1D neutron imaging beamline. The aforementioned capabilities will be illustrated using a selection of examples in plant physiology (herbaceous plant/root/soil system) and biomedical applications (rat femur and mouse lung).

Bilheux, Hassina↗
DOE OSTI2023

A Six-Phase Space Vector PWM Technique for Wide Bandgap Device-Based Three-Level Inverters

This article presents a space vector pulsewidth modulation (SVPWM) technique for wide bandgap (WBG) device-based three-level (3L) six-phase inverters. Implementation of the SVPWM techniques for any six-phase inverter is complex for its high number of possible voltage vectors. Different six-phase load configurations are also possible depending on the angle between two consecutive phases and neutral point connections. The implementation techniques change depending on the load configuration. Moreover, a common neutral point for all six phases leads to circulating currents. Capacitor voltage balancing is also needed for 3L inverters. Capacitor voltage balancing and addressing the circulating current problem further increases the implementation complexity. In this article, a generalized SVPWM technique is proposed for the six-phase 3L inverters that is implementable using two three-phase 3L SVPWM blocks. The SVPWM technique also ensures dc bus capacitor voltage balancing and minimizes circulating current. Here, the SVPWM technique is experimentally verified using a GaN-based 3L six-phase active neutral point clamped (ANPC) inverter prototype, and the results are presented in this article.

42 ENGINEERING↗
DOE OSTI2024

Perceptions of Value in Process-based Engineering in LANL's Intelligence and Space Research Division [Capstone Project]

This project studied a perceived aversion to process-based engineering in ISR Division. Thirty interviews were conducted with ISR staff to explore research questions including perceived advantages and disadvantages of process and ISR strengths and weaknesses. Results were analyzed for synergies between the research questions. Results indicate an unexpected willingness to adopt process so long as that process does not stifle creativity and is flexible enough that it can be applied if and when it provides the most value.

42 ENGINEERING↗
DOE OSTI2022

Conformal conserved currents in embedding space

We study conformal conserved currents in arbitrary irreducible representations of the Lorentz group using the embedding space formalism. With the help of the operator product expansion, we first show that conservation conditions can be fully investigated by considering only two- and three-point correlation functions. We then find an explicitly conformally-covariant differential operator in embedding space that implements conservation based on the standard position space operator product expansion differential operator ∂μ, although the latter does not uplift to embedding space covariantly. The differential operator in embedding space that imposes conservation is the same differential operator $D_{ijA}$ used in the operator product expansion in embedding space. We provide several examples including conserved currents in irreducible representations that are not symmetric and traceless. With an eye on four-point conformal bootstrap equations for four conserved vector currents $\langle JJJJ\rangle$ and four energy-momentum tensors $\langle TTTT\rangle$, we mostly focus on conservation conditions for $\langle JJ\mathcal{O}\rangle$ and $\langle TT\mathcal{O}\rangle$. Finally, we reproduce and extend the consequences of conformal Ward identities at coincident points by determining three-point coefficients in terms of charges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗