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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 775 records · Page 43

Finding Hidden Patterns in High Resolution Wind Flow Model Simulations

Wind flow data is critical in terms of investment decisions and policy making. High resolution data from wind flow model simulations serve as a supplement to the limited resource of original wind flow data collection. Given the large size of data, finding hidden patterns in wind flow model simulations are critical for reducing the dimensionality of the analysis. In this work, we first perform dimension reduction with two autoencoder models: the CNN-based autoencoder (CNN-AE) [1], and hierarchical autoencoder (HIER-AE) [2], and compare their performance with the Principal Component Analysis (PCA). We then investigate the super-resolution of the wind flow data. By training a Generative Adversarial Network (GAN) with 300 epochs, we obtained a trained model with 2× resolution enhancement. We compare the results of GAN with Convolutional Neural Network (CNN), and GAN results show finer structure as expected in the data field images. Also, the kinetic energy spectra comparisons show that GAN outperforms CNN in terms of reproducing the physical properties for high wavenumbers and is critical for analysis where high-wavenumber kinetics play an important role.

97 MATHEMATICS AND COMPUTING↗

Fourier method for 3-dimensional data fusion of X-ray Computed Tomography and ultrasound

X-ray Computed Tomography (CT) is essential for nondestructive inspection of many manufactured components but is susceptible to various forms of artifacts and noise. In particular, multi-detector row cone-beam CT systems can suffer from so called “cone-beam” artifacts and partial volume effects, particularly on planar edges at the periphery of the field of view in the cone angle dimension. Uni-directional ultrasonic testing methods generally have extremely accurate in-plane depth resolution but poorer lateral resolution due to physical and geometric constraints. This paper presents a novel technique called Computed Tomographic Fusion (CT-F) which uses three-dimensional Fourier filtering to combine x-ray cone-beam CT reconstructions and ultrasound data in the frequency space. The result is a single image with improved accuracy and quality. CT-F mitigates artifacts while allowing for rapid, accurate characterization of large three-dimensional CT volumes. Finally, using simulations and experiments, we demonstrate artifact reduction and edge contrast improvement in volumetric reconstructions.

42 ENGINEERING↗

Boron- and Nitrogen-Substituted Graphene Nanoribbons as Efficient Catalysts for Oxygen Reduction Reaction

Here, we show that nanoribbons of boron- and nitrogen-substituted graphene can be used as efficient electrocatalysts for the oxygen reduction reaction (ORR). Optimally doped graphene nanoribbons made into three-dimensional porous constructs exhibit the highest onset and half-wave potentials among the reported metal-free catalysts for this reaction and show superior performance compared to commercial Pt/C catalyst. Moreover, this catalyst possesses high kinetic current density and four-electron transfer pathway with low hydrogen peroxide yield during the reaction. Finally, first-principles calculations suggest that such excellent electrocatalytic properties originate from the abundant edges of boron- and nitrogen-codoped graphene nanoribbons, which significantly reduce the energy barriers of the rate-determining steps of the ORR reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elementary framework for cold field emission: Incorporation of quantum-confinement effects

Although the Fowler-Nordheim (FN) equation serves as the foundation of cold field emission theory, it may not be suitable for predicting the emitted current density (ECD) from emitters with a quantum-confined electron supply. This work presents an analytical framework for treating cold field emission from metals that includes the effects of a quantum-confined electron supply. Within the framework, quantum confinement in emitters is classified into transverse and normal quantum confinement based on the orientation of the confinement relative to the emission direction. The framework is used to generate equations predicting the ECD from rectangular and cylindrical emitter geometries comprised of electron supplies of reduced dimensionality. Transverse quantum confinement of the electron supply leads to a reduction in the total ECD as transverse emitter dimensions decrease and normal quantum confinement results in an oscillatory ECD as a function of the normal quantum well width. Incorporating a geometry-dependent field enhancement factor into the model reveals an optimal transverse well width for which quantum confinement of the electron supply and field enhancement equally affect the ECD and a maximum total ECD for the emitter geometry at a given applied field is obtained. As a result, the FN equation over-predicts the ECD from emitters with transverse dimensions under approximately 5 nm, and in those cases, geometry-specific ECD equations incorporating quantum-confinement effects should be employed instead.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Laser-driven magnetized liner inertial fusion

A laser-driven, magnetized liner inertial fusion (MagLIF) experiment is designed in this paper for the OMEGA Laser System by scaling down the Z point design to provide the first experimental data on MagLIF scaling. OMEGA delivers roughly 1000× less energy than Z, so target linear dimensions are reduced by factors of ~10. Magneto-inertial fusion electrical discharge system could provide an axial magnetic field of 10 T. Two-dimensional hydrocode modeling indicates that a single OMEGA beam can preheat the fuel to a mean temperature of ~200 eV, limited by mix caused by heat flow into the wall. One-dimensional magnetohydrodynamic (MHD) modeling is used to determine the pulse duration and fuel density that optimize neutron yield at a fuel convergence ratio of roughly 25 or less, matching the Z point design, for a range of shell thicknesses. A relatively thinner shell, giving a higher implosion velocity, is required to give adequate fuel heating on OMEGA compared to Z because of the increase in thermal losses in smaller targets. Two-dimensional MHD modeling of the point design gives roughly a 50% reduction in compressed density, temperature, and magnetic field from 1-D because of end losses. Finally, scaling up the OMEGA point design to the MJ laser energy available on the National Ignition Facility gives a 500-fold increase in neutron yield in 1-D modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Size-Tuned Plastic Flow Localization in Irradiated Materials at the Submicron Scale

Three-dimensional discrete dislocation dynamics (3D-DDD) simulations reveal that, with reduction of sample size in the submicron regime, the mechanism of plastic flow localization in irradiated materials transitions from irradiation-controlled to an intrinsic dislocation source controlled. Furthermore, the spatial correlation of plastic deformation decreases due to weaker dislocation interactions and less frequent cross slip as the system size decreases, thus manifesting itself in thinner dislocation channels. A simple model of discrete dislocation source activation coupled with cross slip channel widening is developed to reproduce and physically explain this transition. In order to quantify the phenomenon of plastic flow localization, we introduce a “deformation localization index,” with implications to the design of radiation-resistant materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Controlled gate networks: theory and application to eigenvalue estimation

We introduce a new scheme for quantum circuit design called controlled gate networks. Rather than trying to reduce the complexity of individual unitary operations, the new strategy is to toggle between all of the unitary operations needed with the fewest number of gates. We present the general theory of controlled gate networks and show that, under quite general conditions, it can significantly reduce the number of two-qubit gates needed to produce linear combinations of unitary operators. The first example we consider is a variational subspace calculation for a two-qubit system. The second example is estimating the eigenvalues of a two-qubit Hamiltonian via the rodeo algorithm (Choi et al. in Phys Rev Lett 127(4):040505, 2021. https://doi.org/10.1103/PhysRevLett.127.040505) using operators that we call controlled reversal gates. We use the Quantinuum H1-2 and IBM Perth devices to realize the quantum circuits. The third example is the application of controlled gate networks to the controlled time evolution of a free nucleon on a three-dimensional lattice. For all of the examples, we show very substantial reductions in the number of two-qubit gates required. Our work demonstrates that controlled gate networks are a useful tool for reducing gate complexity in quantum algorithms for quantum many-body problems such as those relevant to nuclear physics.

Bee-Lindgren, Max [Georgia Institute of Technology↗

An experimental evaluation of the stresses in drilled balls

Stresses in dimensionally similar large models of 40-, 50- and 60-percent mass reduction cylindrically hollow 'drilled' bearing balls were experimentally evaluated with flat strain gage rosettes. Dimensionless principal stress coefficients were calculated and were applied to estimate the bending stresses in the drilled balls of three series of full-scale bearing experiments. Stresses were highest when the applied load approached the edge of the hole, and ranged up to almost 620 million Newtons per sq m at the bore.

Nypan, L. J.↗

Dust from periodic comet Encke - Large grains in short supply

A photographic observation of periodic comet Encke is analyzed which reveals the emission of large dust grains from the comet. Photometric reduction of the photographic plate is described, and a two-dimensional isodensitometer scan of P/Encke is presented. An analytical expression is obtained for the average mass-loss rate of the dust over the revolution period of about 1200 days. A comparison of the results for P/Encke with previous results for P/d'Arrest indicates that both comets shed dust at just about equal average rates. It is concluded that the current contribution of P/Encke to the interplanetary dust is quite negligible if the dust particles reflect more than 1% of light and that smaller dust grains probably tend to contribute more mass than larger grains.

Sekanina, Z.↗

Domain decomposition methods for systems of conservation laws: Spectral collocation approximations

Hyperbolic systems of conversation laws are considered which are discretized in space by spectral collocation methods and advanced in time by finite difference schemes. At any time-level a domain deposition method based on an iteration by subdomain procedure was introduced yielding at each step a sequence of independent subproblems (one for each subdomain) that can be solved simultaneously. The method is set for a general nonlinear problem in several space variables. The convergence analysis, however, is carried out only for a linear one-dimensional system with continuous solutions. A precise form of the error reduction factor at each iteration is derived. Although the method is applied here to the case of spectral collocation approximation only, the idea is fairly general and can be used in a different context as well. For instance, its application to space discretization by finite differences is straight forward.

Quarteroni, Alfio↗

Spatial simulation of instability control by periodic suction blowing

The applicability of active control by periodic suction blowing in spatially evolving plane Poiseuille flow is investigated by the direct simulation of the three-dimensional, incompressible Navier-Stokes equations. The results reveal that significant reductions in perturbation amplitudes can be obtained by a proper choice of the control wave amplitude and phase. The upstream influence of the control wave is shown to be confined to a region in the vicinity of the control slot with no apparent effect on the flow development.

Danabasoglu, G.↗

Interchangeable end effector tools utilized on the PFMA

An instrumented task board, used for measuring forces applied by the Protoflight Manipulator Arm (PFMA) to the task board, was fabricated and delivered to Marshall Space Flight Center. SRS Technologies phased out the existing IBM compatible data acquisition system, used with a instrumented task board, and integrated the force measuring electronic hardware in with the Macintosh II data acquisition system. The purpose of this change was to acquire all data with the same time tag, allowing easier and more accurate data reduction in addition to real-time graphics. A three-dimensional optical position sensing system for determining the location of the PFMA's end effect or in reference to the center of the instrumented task board was also designed and delivered under. An improved task board was fabricated which included an improved instrumented beam design. The modified design of the task board improved the force/torque measurement system by increasing the sensitivity, reliability, load range and ease of maintenance. A calibration panel for the optical position system was also designed and fabricated. The calibration method developed for the position sensors enhanced the performance of the sensors as well as simplified the installation and calibration procedures required. The modifications made under this effort expanded the capabilities of the task board system. The system developed determines the arm's position relative to the task board and measures the signals to the joints resulting from the operator's control signals in addition to the task board forces. The software and hardware required to calculate and record the position of the PFMA during the performance of tasks with the instrumented task board were defined, designed and delivered to MSFC. PFMA joint input signals can be measured from a breakout box to evaluate the sensitivity or response of the arm operation to control commands. The data processing system provides the capability for post processing of time-history graphics and plots of the PFMA positions, the operator's actions, and the PFMA servo reactions in addition to realtime force and position sensor data presentation.

Cody, Joe↗

A family of dynamic models for large-eddy simulation

Since its first application, the dynamic procedure has been recognized as an effective means to compute rather than prescribe the unknown coefficients that appear in a subgrid-scale model for Large-Eddy Simulation (LES). The dynamic procedure is usually used to determine the nondimensional coefficient in the Smagorinsky (1963) model. In reality the procedure is quite general and it is not limited to the Smagorinsky model by any theoretical or practical constraints. The purpose of this note is to consider a generalized family of dynamic eddy viscosity models that do not necessarily rely on the local equilibrium assumption built into the Smagorinsky model. By invoking an inertial range assumption, it will be shown that the coefficients in the new models need not be nondimensional. This additional degree of freedom allows the use of models that are scaled on traditionally unknown quantities such as the dissipation rate. In certain cases, the dynamic models with dimensional coefficients are simpler to implement, and allow for a 30% reduction in the number of required filtering operations.

Carati, D.↗

Effect of Phenolic Matrix Microcracking on the Structural Response of a 3-D Woven Thermal Protection System

The effect of microcracking in the phenolic matrix of a three-dimensional woven thermal protection system (TPS) and the resulting material stiffness reduction was studied via a comparison of finite element analysis results from a linear analysis and an iterative linear analysis. A TPS is necessary to protect space vehicles from the aerodynamic heating of planetary entry. The Heatshield for Extreme Entry Environment Technology (HEEET) project has developed a TPS for use in high heat-flux and pressure missions. The material is a dual-layer continuous dry weave, which is then infiltrated with a low-density phenolic resin matrix to form a rigid ablator. The phenolic resin matrix does not have structural load transfer requirements, and testing has shown that the phenolic resin can fully satisfy thermal requirements when the matrix contains microcracks. Due to high stresses in the through-the-thickness direction of the material, phenolic microcracks may form in the matrix material, which would result in a reduction of stiffness. An exploratory study was conducted to determine if reduction in material stiffness would change the load paths and/or decrease the structural margins. A comparison was performed between a linear finite element analysis that did not take into account phenolic microcracking and an iterative linear finite element analysis that accounted for propagation of phenolic microcracking. Four subcases using varying assumptions were analyzed and the results indicate that the assumed strength at which the phenolic microcracking propagates was the critical parameter for determining the extent of microcracking in the phenolic matrix. Phenolic microcracking does not have an adverse effect on the structural response of the test article and is not a critical failure.

Langston, Sarah L.↗

Spherical actions on flag varieties

For every finite-dimensional vector space V and every V-flag variety X we list all connected reductive subgroups in GL(V acting spherically on X. Bibliography: 28 titles.

97 MATHEMATICS AND COMPUTING↗

Aerodynamic Sensitivities over Separable Shape Tensors

Here, we present a comprehensive aerodynamic sensitivity analysis of airfoil parameterization informed by separable shape tensors. This parameterization approach uniquely benefits the design process by isolating various well-studied shape characteristics, such as airfoil thickness, and providing a well-regulated low-dimensional parameter domain for aerodynamic designs. Exploring the aerodynamic sensitivities of this novel parameterization can provide valuable insights for more robust designs and future manufacturing efforts. We construct a data-driven parameter space of airfoils using principal geodesic analysis of separable shape tensors informed by a curated database containing almost 20,000 suitable engineering airfoils. Analyzing the shape reconstruction error and the maximum mean discrepancy between joint distributions of aerodynamic quantities, we study the dimensionality of the learned parameter space. This simple numerical experiment demonstrates a dramatic dimension reduction that retains design effectiveness and promotes regularity of the shape representations. Finally, we generate new airfoils and use the HAM2D Reynolds-averaged Navier–Stokes solver to predict lift, drag, and moment coefficients. We compute multiple sensitivity metrics to quantify and assert the consistency of parameter influence on the aerodynamic quantities. We also explore low-dimensional polynomial ridge approximations to motivate physical intuitions and offer explanations of the approximated sensitivities.

17 WIND ENERGY↗

Thermochemical Insight into the Reduction of CO to CH3OH with [Re(CO)]+ and [Mn(CO)]+ Complexes

To gain insight into thermodynamic barriers for reduction of CO into CH3OH, free energies for reduction of [CpRe(PPh3)(NO)(CO)]+ into CpRe(PPh3)(NO)(CH2OH) have been determined from experimental measurements. Using model complexes, the free energies for the transfer of H+, H–, and e– have been determined. A pKa of 10.6 was estimated for [CpRe(PPh3)(NO)(CHOH)]+ by measuring the pKa for the analogous [CpRe(PPh3)(NO)(CMeOH)]+. The hydride donor ability (ΔG°H–) of CpRe(PPh3)(NO)(CH2OH) was estimated to be 58.0 kcal mol–1, based on calorimetry measurements of the hydride transfer reaction between CpRe(PPh3)(NO)(CHO) and [CpRe(PPh3)(NO)(CHOMe)]+ to generate the methylated analog, CpRe(PPh3)(NO)(CH2OMe). Cyclic voltammograms recorded on CpRe(PPh3)(NO)(CMeO), CpRe(PPh3)(NO)(CH2OMe), and [CpRe(PPh3)(NO)(CHOMe)]+ displayed either a quasireversible oxidation (neutral species) or reduction (cationic species). These potentials were used as estimates for the oxidation of CpRe(PPh3)(NO)(CHO) or CpRe(PPh3)(NO)(CH2OH), or the reduction of [CpRe(PPh3)(NO)(CHOH)]+. Combination of the thermodynamic data permits construction of three-dimensional free energy landscapes under varying conditions of pH and PH2. The free energy for H2 addition (ΔG°H2) to [CpRe(PPh3)(NO)(CO)]+ (+15 kcal mol–1) was identified as the most significant thermodynamic impediment for the reduction of CO. DFT computations indicate that ΔG°H2 varies by only 4.3 kcal mol–1 across a series of [CpXRe(L)(NO)(CO)]+, while the experimental ΔG°H– values for the analogous series of CpRe(PPh3)(NO)(CHO) varies by 12.9 kcal mol–1. The small range of ΔG°H2 values is attributed to a minimal change in the C–O bond polarization upon modification of the ancillary ligands, as determined from the computed atomic charges. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

carbon monoxide↗

A neural network for determination of latent dimensionality in Nonnegative Matrix Factorization

Non-negative Matrix Factorization (NMF) has proven to be a powerful unsupervised learning method for uncovering hidden features in complex and noisy datasets with applications in data mining, text recognition, dimension reduction, face recognition, anomaly detection, blind source separation, and many other fields. An important input for NMF is the latent dimensionality of the data, that is, the number of hidden features, K, present in the explored dataset. Unfortunately, and this quantity is rarely known a priori. The existing methods for determining latent dimensionality, such as Automatic Relevance Determination (ARD), are mostly heuristic and utilize different characteristics to estimate the number of hidden features. However, all of them require human presence to make a final determination of K. Here we utilize a supervised machine learning approach in combination with a recent method for model determination, called NMFk, to determine the number of hidden features automatically. NMFk performs a set of NMF simulations on an ensemble of matrices, obtained by bootstrapping the initial dataset, and estimates which K produces stable groups of latent features that reconstruct the initial dataset well. We then train a Multi-Layter Perceptron (MLP) classifier network to determine the correct number of latent features utilizing the statistics and characteristics of the NMF solution, obtained from NMFk. In order to train the MLP classifier, a training set of 58,660 matrices with predetermined latent features were factorized with NMFk. The MLP classifier in conjunction with NMFk maintains a greater than 95% success rate when applied to a held out test set. Additionally, when applied to two well-known benchmark datasets, the swimmer and MIT face data, NMFk/MLP correctly recovers the established number of hidden features. Finally, we compare the accuracy of our method to the ARD, AIC and Stability-based methods.

97 MATHEMATICS AND COMPUTING↗