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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Improving Lidar Turbulence Estimates for Wind Energy

Remote sensing devices (e.g., lidars) are quickly becoming a cost-effective and reliable alternative to meteorological towers for wind energy applications. Although lidars can measure mean wind speeds accurately, these devices measure different values of turbulence intensity (TI) than an instrument on a tower. In response to these issues, a lidar TI error reduction model was recently developed for commercially available lidars. The TI error model first applies physics-based corrections to the lidar measurements, then uses machine-learning techniques to further reduce errors in lidar TI estimates. The model was tested at two sites in the Southern Plains where vertically profiling lidars were collocated with meteorological towers. Results indicate that the model works well under stable conditions but cannot fully mitigate the effects of variance contamination under unstable conditions. To understand how variance contamination affects lidar TI estimates, a new set of equations was derived in previous work to characterize the actual variance measured by a lidar. Terms in these equations were quantified using a lidar simulator and modeled wind field, and the new equations were then implemented into the TI error model.

17 WIND ENERGY↗
DOE OSTI2025

Generative learning for slow manifolds and bifurcation diagrams

In dynamical systems characterized by separation of time scales, the approximation of so called “slow manifolds”, on which the long term dynamics lie, is a useful step for model reduction. Initializing on such slow manifolds is a useful step in modeling, since it circumvents fast transients, and is crucial in multiscale algorithms (like the equation-free approach) alternating between fine scale (fast) and coarser scale (slow) simulations. In a similar spirit, when one studies the infinite time dynamics of systems depending on parameters, the system attractors (e.g., its steady states) lie on bifurcation diagrams (curves for one-parameter continuation, and more generally, on manifolds in state parameter space. Sampling these manifolds gives us representative attractors (here, steady states of ODEs or PDEs) at different parameter values. Algorithms for the systematic construction of these manifolds (slow manifolds, bifurcation diagrams) are required parts of the “traditional” numerical nonlinear dynamics toolkit. In more recent years, as the field of Machine Learning develops, conditional score-based generative models (cSGMs) have been demonstrated to exhibit remarkable capabilities in generating plausible data from target distributions that are conditioned on some given label. It is tempting to exploit such generative models to produce samples of data distributions (points on a slow manifold, steady states on a bifurcation surface) conditioned on (consistent with) some quantity of interest (QoI, observable). In this work, we present a framework for using cSGMs to quickly (a) initialize on a low-dimensional (reduced-order) slow manifold of a multi-time-scale system consistent with desired value(s) of a QoI (a “label”) on the manifold, and (b) approximate steady states in a bifurcation diagram consistent with a (new, out-of-sample) parameter value. This conditional sampling can help uncover the geometry of the reduced slow-manifold and/or approximately “fill in” missing segments of steady states in a bifurcation diagram. Finally, the quantity of interest, which determines how the sampling is conditioned, is either known a priori or identified using manifold learning-based dimensionality reduction techniques applied to the training data.

Dynamical systems↗
DOE OSTI2015

Hysteresis phenomena of the two dimensional electron gas density in lattice-matched InAlN/GaN heterostructures

High-temperature transport properties in high-mobility lattice-matched InAlN/GaN heterostructures have been investigated. An interesting hysteresis phenomenon of the two dimensional electron gas (2DEG) density is observed in the temperature-dependent Hall measurements. After high-temperature thermal cycles treatment, the reduction of the 2DEG density is observed, which is more serious in thinner InAlN barrier samples. This reduction can then be recovered by light illumination. We attribute these behaviors to the shallow trap states with energy level above the Fermi level in the GaN buffer layer. The electrons in the 2DEG are thermal-excited when temperature is increased and then trapped by these shallow trap states in the buffer layer, resulting in the reduction and hysteresis phenomenon of their density. Three trap states are observed in the GaN buffer layer and C{sub Ga} may be one of the candidates responsible for the observed behaviors. Our results provide an alternative approach to assess the quality of InAlN/GaN heterostructures for applications in high-temperature electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

An Efficient, Globally Convergent Method for Optimization Under Uncertainty Using Adaptive Model Reduction and Sparse Grids

We present a new approach to efficiently solve optimization problems constrained by partial differential equations (PDEs) with uncertain coefficients. The method leverages two sources of inexactness that trade accuracy for speed: (1) stochastic collocation based on dimension-adaptive sparse grids (SGs), which approximates the stochastic objective function with a limited number of quadrature nodes, and (2) projection-based reduced-order models (ROMs), which generate efficient approximations to PDE solutions. These two sources of inexactness lead to inexact objective function and gradient evaluations, which are managed by a trust-region method that guarantees global convergence by adaptively refining the SG and ROM until a proposed error indicator drops below a tolerance specified by trust-region convergence theory. A key feature of the proposed method is that the error indicator---which accounts for errors incurred by both the SG and ROM---must be only an asymptotic error bound, i.e., a bound that holds up to an arbitrary constant that need not be computed. This allows the approach to be applicable to a wide range of problems, including those where sharp, computable error bounds are not available; this distinguishes the proposed method from previous works. Numerical experiments performed on a model problem from optimal flow control under uncertainty verify global convergence of the method and demonstrate the method's ability to outperform previously proposed alternatives.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Alternative outlets for sustaining photosynthetic electron transport during dark-to-light transitions

Environmental stresses dramatically impact the balance between the production of photosynthetically derived energetic electrons and Calvin–Benson–Bassham cycle (CBBC) activity; an imbalance promotes accumulation of reactive oxygen species and causes cell damage. Hence, photosynthetic organisms have developed several strategies to route electrons toward alternative outlets that allow for storage or harmless dissipation of their energy. In this work, we explore the activities of three essential outlets associated with Chlamydomonas reinhardtii photosynthetic electron transport: (i) reduction of O 2 to H 2 O through flavodiiron proteins (FLVs) and (ii) plastid terminal oxidases (PTOX) and (iii) the synthesis of starch. Real-time measurements of O 2 exchange have demonstrated that FLVs immediately engage during dark-to-light transitions, allowing electron transport when the CBBC is not fully activated. Under these conditions, we quantified maximal FLV activity and its overall capacity to direct photosynthetic electrons toward O 2 reduction. However, when starch synthesis is compromised, a greater proportion of the electrons is directed toward O 2 reduction through both the FLVs and PTOX, suggesting an important role for starch synthesis in priming/regulating CBBC and electron transport. Moreover, partitioning energized electrons between sustainable (starch; energetic electrons are recaptured) and nonsustainable (H 2 O; energetic electrons are not recaptured) outlets is part of the energy management strategy of photosynthetic organisms that allows them to cope with the fluctuating conditions encountered in nature. Finally, unmasking the repertoire and control of such energetic reactions offers new directions for rational redesign and optimization of photosynthesis to satisfy global demands for food and other resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Synthesis of Pt nanoparticles on electrochemically reduced graphene oxide by potentiostatic and alternate current methods

Reduced graphene oxide (RGO) has been synthesized on Pt wires by means of a potentiodynamic method between + 0.6 V and − 1.4 V for 20 scans. Cyclic voltammetry characterization of the coatings showed the typical capacitative behavior of graphene. Pt nanoparticles were synthesized on Pt–RGO electrodes by means of potentiostatic methods and a comparison between different synthesis potentials (− 0.16, 0, + 0.2 and + 0.4 V) for the same synthesis charge (mC·cm{sup −2}) was established. The electrodes obtained were characterized in 0.5 M H{sub 2}SO{sub 4} solution to observe the characteristic oxidation and reduction processes of the Pt surface. A 0.5 M H{sub 2}SO{sub 4}/0.5 M CH{sub 3}OH solution was used to measure the catalytic properties of the deposits against methanol oxidation. The most appropriate potential to perform the synthesis was 0 V followed by − 0.16 V and + 0.2 V. The morphology of the coatings varied depending on the potential applied as observed by scanning electron microscopy. Alternate current methods were also used to synthesize Pt nanoparticles and compare the results with the traditional potentiostatic method. Different frequencies were used: 0.1, 1, 10, 100, 1000 and 10 000 Hz. Alternate current synthesis is more efficient than traditional potentiostatic methods, obtaining more electroactive coatings with less effective synthesis time. - Highlights: • Reduced graphene oxide has been obtained by electrochemical reduction on Pt wires. • Pt nanoparticles have been obtained potentiostatically at different potentials. • Pt nanoparticles have been obtained by ac methods with different frequencies. • ac synthesis is a better synthesis method than potentiostatic synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mitigating CO 2 emissions of concrete manufacturing through CO 2 -enabled binder reduction

Abstract Past studies on CO 2 utilization in the concrete industry have primarily focused on maximizing sequestered CO 2 , while focusing less on CO 2 avoidance possible by reducing binder use through the addition of CO 2 to concrete formulations. In this paper, we study the net CO 2 reduction and cost benefits achievable by reducing binder loading while adding CO 2 via three approaches: carbonation during curing, carbonation during mixing, or carbonation with recycled concrete aggregate. These techniques are evaluated for a cohort of concrete formulations representing the diverse mixture designs found in the US ready-mixed and precast industries. Each formulation is optimized for reduced binder loading where the use of CO 2 directly in the formulation recovers the lost compressive strength from reduced binder. We show that over an order of magnitude more CO 2 can be avoided when binder reduction is jointly implemented with CO 2 utilization compared to utilizing CO 2 alone. As a result, nearly 40% of the annual CO 2 emissions from the US concrete industry could, in principle, be eliminated without relying on novel supplemental materials, alternative binder, or carbon capture and sequestration. The recently amended 45Q tax credit will not incentivize this strategy, as it only considers carbon sequestration. However, we find that the saved material cost from reduced binder use on its own may provide a significant economic incentive to promote the joint strategy in practice. We conclude that the real value of CO 2 utilization in concrete hinges on exploiting CO 2 -induced property changes to yield additional emission reduction, not by maximizing absorbed CO 2 .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Phases of 5d SCFTs from M-/F-theory on non-flat fibrations

We initiate the systematic investigation of non-flat resolutions of non-minimal singularities in elliptically fibered Calabi-Yau threefolds. Compactification of M-theory on these geometries provides an alternative approach to studying phases of five-dimensional superconformal field theories (5d SCFTs). We argue that such resolutions capture non-trivial holonomies in the circle reduction of the 6d conformal matter theory that is the F-theory interpretation of the singular fibration. As these holonomies become mass deformations in the 5d theory, non-flat resolutions furnish a novel method in the attempt to classify 5d SCFTs through 6d SCFTs on a circle. A particularly pleasant aspect of this proposal is the explicit embedding of the 5d SCFT’s enhanced flavor group inside that of the parent 6d SCFT, which can be read off from the geometry. We demonstrate these features in toric examples which realize 5d theories up to rank four.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Technologies and policies to decarbonize global industry: Review and assessment of mitigation drivers through 2070

Fully decarbonizing global industry is essential to achieving climate stabilization, and reaching net zero greenhouse gas emissions by 2050–2070 is necessary to limit global warming to 2 °C. This paper assembles and evaluates technical and policy interventions, both on the supply side and on the demand side. It identifies measures that, employed together, can achieve net zero industrial emissions in the required timeframe. Key supply-side technologies include energy efficiency (especially at the system level), carbon capture, electrification, and zero-carbon hydrogen as a heat source and chemical feedstock. There are also promising technologies specific to each of the three top-emitting industries: cement, iron & steel, and chemicals & plastics. These include cement admixtures and alternative chemistries, several technological routes for zero-carbon steelmaking, and novel chemical catalysts and separation technologies. Crucial demand-side approaches include material-efficient design, reductions in material waste, substituting low-carbon for high-carbon materials, and circular economy interventions (such as improving product longevity, reusability, ease of refurbishment, and recyclability). Strategic, well-designed policy can accelerate innovation and provide incentives for technology deployment. High-value policies include carbon pricing with border adjustments or other price signals; robust government support for research, development, and deployment; and energy efficiency or emissions standards. These core policies should be supported by labeling and government procurement of low-carbon products, data collection and disclosure requirements, and recycling incentives. In implementing these policies, care must be taken to ensure a just transition for displaced workers and affected communities. Similarly, decarbonization must complement the human and economic development of low- and middle-income countries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2012

Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons

We report a quantum mechanical description based on the density functional theory of the structures and electronic properties of armchair boron nitride nanoribbons (BNNRs) edge-terminated with O atoms and OH groups. The O edge termination was found to give a peroxide-like structure that is nonmagnetic and semiconducting with a bandgap of Eg= 2.8 eV. The O-terminated BNNR ribbon was stabilized bythe reduction of the peroxide groups with H atoms leading to a polyol-like structure. The two chains of hydrogen bonds created along the edges lead to alternating 5- and 7-membered rings and cause the ribbon to become nonplanar with rippled edges. Three configurations of different ripple periods and amplitudes were found with energy differences up to 2 eV per unit cell but with virtually the same bandgap of Eg = 4.2 eV. The hydrogen bond mediated ripples are characterized through the lone pair orbitals showing a local separation and a pair of rabbit-ears on the acceptor O atoms in 5- and 7-membered rings respectively dictated by the hydrogen bond lengths. Energy bands and total and projected density of states are discussed for both functionalizations to show their effects on altering the electronic properties of armchair BNNRs.

08 HYDROGEN↗
DOE OSTI2024

Alternating-bias assisted annealing of amorphous oxide tunnel junctions

Superconducting quantum bits (qubits) rely on ultra-thin, amorphous oxide tunneling barriers that can have significant inhomogeneities and defects as grown. This can result in relatively large uncertainties and deleterious effects in the circuits, limiting the scalability. Finding a robust solution to the junction reproducibility problem has been a long-standing goal in the field. Here, we demonstrate a transformational technique for controllably tuning the electrical properties of aluminum-oxide tunnel junctions. This is accomplished using a low-voltage, alternating-bias applied individually to the tunnel junctions, with which resistance tuning by more than 70% can be achieved. The data indicates an improvement of coherence and reduction of two-level system defects. Transmission electron microscopy shows that the treated junctions are predominantly amorphous, albeit with a more uniform distribution of alumina coordination across the barrier. This technique is expected to be useful for other devices based on ionic amorphous materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r{sup −1} term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN{sub 2} reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN{sub 2} reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Two-Level Sketching Alternating Anderson Acceleration for Complex Physics Applications

We present a novel two-level sketching extension of the Alternating Anderson–Picard (AAP) method for accelerating fixed-point iterations in challenging single- and multiphysics simulations governed by discretized PDEs. Our approach combines a static, physics-based projection that reduces the least-squares (LS) problem to the most informative field (e.g., via Schur-complement insight) with a dynamic, algebraic sketching stage driven by a backward stability analysis under Lipschitz continuity. We introduce inexpensive estimators for stability thresholds and cache-aware randomized selection strategies to balance computational cost against memory access overhead. The resulting algorithm solves reduced LS systems in place, minimizes memory footprints, and seamlessly alternates between low-cost Picard updates and Anderson mixing. Implemented in Julia, our two-level sketching AAP achieves up to 50% time-to-solution reductions compared to standard Anderson acceleration—without degrading convergence rates—on benchmark problems including Stokes, 𝑝-Laplacian, bidomain, and Navier–Stokes formulations at varying problem sizes. These results demonstrate the method’s robustness, scalability, and potential for integration into high-performance scientific computing frameworks. Our implementation is available open source in the AAP.jl library.

Barnafi, Nicolas [University of Chile, Santiago]↗
DOE OSTI2018

Screening Bifunctional Pt Based NSTF Catalysts for Durability with the Rotating Disk Electrode: The Effect of Ir and Ru

Various amounts of Ir (<20 μg cm -2 ) and Ru (up to 12 μg cm -2 ) on a consistent base Pt loading of 85 μg cm -2 , were sputter deposited on a nanostructured thin film catalyst support to mimic a hydrogen fuel cell's cathode catalyst. The nanostructured support was grown on glassy carbon disks designed for a rotating disk electrode, which was used to simulate what happens to a fuel cell cathode during repeated start-up, operation, and shut-down. The testing protocol subjected the catalyst to a minimum potential of 0.65 V RHE and a maximum between 1.53 and 1.8 V RHE . The upper potential was achieved with a galvanostatic hold which is an alternative way to simulate potential transients on the cathode caused by start-up and shut-down. Increasing Ir loading improved the durability of both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) activity. When combined with Ir, Ru provided no benefit to OER durability except at an Ir loading of 10 μg cm -2 . Ru addition (no Ir present) improved the ORR durability compared to pure Pt. ORR durability was not influenced by Ru addition to Ir-containing samples. In general, ORR durability showed no dependence on Ru loading for all the Ru containing samples and ORR activity was decreased by OER catalyst addition, though more so for Ir than Ru.

25 ENERGY STORAGE↗
DOE OSTI2016

Audit and Assessment Studies

Project to assess 46 low-income multifamily residences owned and managed by THRHA in up to 14 southeast Alaska communities. The Objective of project was to identify efficiency measures to reduce energy costs by 30% for low-income multifamily housing by; 1. Decreasing energy demand by increasing multifamily housing energy efficiency; 2. Reducing household energy consumption through energy conservation education and installation of energy upgrades; and 3. Projecting energy savings based on fossil fuel reduction to environmentally and economically benefit Tribal southeast communities

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1981

Minimum noise impact aircraft trajectories

Numerical optimization is used to compute the optimum flight paths, based upon a parametric form that implicitly includes some of the problem restrictions. The other constraints are formulated as penalties in the cost function. Various aircraft on multiple trajectores (landing and takeoff) can be considered. The modular design employed allows for the substitution of alternate models of the population distribution, aircraft noise, flight paths, and annoyance, or for the addition of other features (e.g., fuel consumption) in the cost function. A reduction in the required amount of searching over local minima was achieved through use of the presence of statistical lateral dispersion in the flight paths.

Jacobson, I. D.↗
NASA NTRS1981

Evaluation of large area crop estimation techniques

The performance of the USDAs EDITOR system is evaluated. The system processes Landsat imagery and estimates crop hectarage for large areas based on a regression estimator developed on a sample with known ground truth. It is found that use of multitemporal data over unitemporal significantly improves the hectarage estimates, and a 15% reduction in the r-squared of the regression occurs when independent and jackknifed test sets are used to evaluate the performance of the estimator. When an alternative clustering algorithm, CLASSY, is substituted for the current EDITOR method, estimator performance is improved with reduced need for analyst decisions. It is recommended that the CLASSY clustering algorithm and some form of jackknifing be implemented on EDITOR.

Amis, M. L.↗
NASA NTRS1983

Aircraft trajectories for reduced noise impact

Numerical optimization is used to compute the optimum flight paths, based upon a parametric form that implicitly includes some of the problem restrictions. The other constraints are formulated as penalties in the cost function. Various aircraft on multiple trajectories (landing and takeoff) can be considered. The modular design employed allows for the substitution of alternate models of the population distribution, aircraft noise, flight paths, and annoyance, or for the addition of other features (e.g., fuel consumption) in the cost function. A reduction in the required amount of searching over local minima was achieved through use of the presence of statistical lateral dispersion in the flight paths. Previously announced in STAR as N81-31159

Melton, R. G.↗