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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Utilization of an Advanced Sensor network to determine fuel heating value and Real-Time net unit heat rate during transient operation

Coal-fired utility boilers are being increasingly used as variable electricity generation to resolve the imbalance in the energy market from the expansion of intermittent renewable energy. The frequent transient operation required to meet residual energy demand has created a challenge for coal-fired units to operate efficiently. This work utilizes an advanced sensor network (ASN) to calculate net unit heat rate (NUHR) of a coal-fired boiler in real time through combustion calculations and statistical correlations to provide the tools for optimizing dynamic operation. Real-time heating values that were necessary to determine fuel input energy to calculate accurate NUHR were found using both fundamental and data-driven methods. Real-time NUHR shows distinct shifts that reflect changes in process conditions that will improve the ability to optimize transient operation. Data-driven heating value correlations had 24% lower root mean square error (RMSE) than the fundamental combustion calculation approach when compared to daily retrospective proximate analysis. Furthermore, the data-driven method RMSE improved by 7% with the inclusion of ASN data. Future work is to validate by comparing unit performance with and without the inclusion of NUHR as a control parameter for the dynamic neural network.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Potential impact of work from home jobs on residential energy bills: A case study in phoenix, AZ, USA

Nearly one-third of U.S. households face challenges paying energy bills. During the day, many residents have routine access to cooled environments provided by others—employers, shopping centers, and other public buildings. The COVID-19 pandemic, however, has significantly shifted the cost burden of air conditioning in hot cities. Specifically, during the pandemic, many companies either laid off employees or put them in work-from-home (WFH) assignments. Large tech companies are already promoting WFH as a long-term option for their employees, even after the pandemic. This change in the nature of the workforce might reduce daily travel expenses for workers, but could also significantly increase residential energy bills, particularly during summer in very hot climates. Here, this study uses building energy simulations to quantify the potential residential energy bill penalties resulting from WFH for typical residences in Phoenix. Four building archetypes are used in this study to represent variations in building vintage, occupancy, and characteristics. The results show that, for some single-family residences in Phoenix, WFH can increase annual energy bills by more than $1100 (up to a 70% increase). The study also demonstrates that building performance enhancement retrofit measures have the potential to reduce this WFH energy bill penalty for the existing buildings substantially.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Impact of penetrating collisions of plasma ions on spectral line shapes

Spectral-line-broadening models have been moving towards including full Coulomb interactions between the atom and plasma, replacing the commonly used dipole approximation. The effects of the full Coulomb interaction have been thoroughly explored for plasma electrons, resulting in redshifts of spectral lines in high-energy-density plasmas. We explore the impact of a full Coulomb treatment on ion broadening. Penetrating collisions due to ions do not significantly impact the linewidths. The most significant aspect is the appearance of quasimolecular resonances in the far line wings, such as those previously observed in white-dwarf spectra. We identify several problems with the existing models. The most direct implementation causes the quasimolecular features to appear at the wrong photon energies. It is possible to include the detailed molecular structure, but this currently requires the Anderson-Talman approximation, which ignores the N-body properties of the plasma. We find that N-body effects can substantially broaden these quasimolecular features and even shift them, depending on the plasma conditions. We conclude that penetration of ions into the spatial extent of the radiator wave function does not strongly affect the usual diagnostics and may have a moderate to weak effect on opacity. Furthermore, the Rosseland mean opacity is weighted towards low-opacity regions of a spectrum, where these quasimolecular features are found.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Reimagining full wave rf quasilinear theory in a tokamak

The velocity dependent resonant interaction of particles with applied radio frequency (rf) waves during heating and current drive in the presence of pitch angle scattering collisions gives rise to narrow collisional velocity space boundary layers that dramatically enhance the role of collisions as recently shown by Catto (J. Plasma Phys., vol. 86, 815860302, 2020). The behavior is a generalization of the narrow collisional boundary layer that forms during Landau damping as found by Johnston (Phys. Fluids, vol. 14, 1971, pp. 2719-2726) and Auerbach (Phys. Fluids, vol. 20, 1977, pp. 1836-1844). For a wave of parallel wave number k|| interacting with weakly collisional plasma species of collision frequency ν and thermal speed vth , the effective collision frequency becomes of order ν(k_||v_th /ν)^2/3>> ν . The narrow boundary layers that arise because of the diffusive nature of the collisions allows a physically meaningful wave-particle interaction time to be defined that is the inverse of this effective collision frequency. The collisionality implied by the narrow boundary layer results in changes in the standard quasilinear treatment of applied rf fields in tokamaks while remaining consistent with causality. These changes occur because successive poloidal interactions with the rf are correlated in tokamak geometry and because the resonant velocity space dependent interactions are controlled by the spatial and temporal behavior of the perturbed full wave fields rather than just the spatially local Landau and Doppler shifted cyclotron wave-particle resonance condition associated with unperturbed motion of the particles. The correlation of successive poloidal circuits of the tokamak leads to the appearance in the quasilinear operator of transit averaged resonance conditions localized in velocity space boundary layers that maintain negative definite entropy production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Sensitivity Effects of High Temperature Overhead Conductors to Line Rating Variables

For traditional overhead transmission lines, the maximum allowable conductor operating temperature on ASCR, AAC, or AAAC lines for determining the static line ratings can be quite low, typically well under 100 C. At these low temperatures, the primary driver for determining static line ratings are assumptions made about the wind speed and direction and the ambient temperature. Assumptions for solar loading and emitted thermal radiation, driven by line emissivity and absorptivity, are secondary factors, and only provide small changes to the static ratings. However, when considering newer high temperature conductors such as ACSS, ACCR, ZTACIR, and ACCC® the maximum allowable conductor temperatures can be significantly higher, up to 250° C. This higher temperature shifts the importance of the emissivity assumptions of the overhead transmission line, due to the nature of the T4 dependence of the radiative heat loss compared to the T1 dependence of the convective heat loss, as well as shifting the dependency on local wind conditions. Typical assumptions in the United States for the emissivity/absorptivity of overhead transmission lines in determining the static ratings are to use a value of 0.5 for both parameters or set a value in the range of 0.7 to 0.9. Recent experimental tests at EPRI have shown that higher emissivity aging assumptions may not be valid in some regions of the US, and that actual values may be much lower (0.25-0.45) than older studies have predicted (0.8-0.9). Here, the assumptions of different US Regional Transmission Operators (RTOs) and different utilities within RTOs are examined for the static ratings for traditional lower operating temperatures up to 100° C as well as with the higher maximum temperature conductors associated with newer conductor designs at 250° C. The sensitivity of the static ratings is examined at both lower and higher temperature conductors with respect to overhead line emissivity and absorptivity, wind speed, wind direction, and solar loading, and ambient temperature. It is shown that the effects of the conductor absorptivity, solar flux and ambient temperature on the static rating are increased when the transmission line has a lower maximum conductor temperature. The effects of the conductor emissivity, wind direction and wind speed have increased effects on the static rating when the transmission line has a higher maximum conductor temperature. In addition, example weather data is used to calculate the conductor temperature with different line emissivity and absorptivity assumptions. This shows the effect of assumptions made for emissivity only has a minor impact for low temperature lines, but for high temperature transmission lines can cause a 150-200° C temperature swing.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Ventenata dubia projected to expand in the western United States despite future novel conditions

Abstract Distributions of both native and invasive species are expected to shift under future climate. Species distribution models (SDMs) are often used to explore future habitats, but sources of uncertainty including novel climate conditions may reduce the reliability of future projections. We explore the potential spread of the invasive annual grass ventenata ( Ventenata dubia ) in the western United States under both current and future climate scenarios using boosted regression tree models and 30 global climate models (GCMs). We quantify novel climate conditions, prediction variability arising from both the SDMs and GCMs, and the agreement among GCMs. Results demonstrate that currently suitable habitat is concentrated inside the invaded range of the northwest, but substantial habitat exists outside the invaded range in the Southern Rockies and southwestern US mountains. Future suitability projections vary greatly among GCMs, but GCMs commonly projected decreased suitability in the invaded range and increased suitability along higher elevations of interior mountainous areas. Climate novelty did not appear to undermine the prediction reliability in many cases where the climate–species relationship was fully represented by the occurrence data. GCM‐derived variability resulting from variation in future cool season precipitation and temperature seasonality was greatest in the Rocky Mountains. SDM‐derived variability was higher in currently suitable habitat, and few GCMs projections agreed that these areas would contain future suitable habitat. However, while prediction variability was high, many GCM projections agreed that parts of the Rocky, Wasatch, and Uinta Mountains would contain highly suitable habitat in the future. As disturbances in the interior mountains occur in coming decades, reducing some natural barriers to invasion, land managers, and conservationists will need to monitor for ventenata in post‐disturbance environments. Changes to invasion potential may not play out for several decades, but results related to current potential may have applications for early detection and rapid response planning.

Environmental Sciences & Ecology↗
DOE OSTI2023

Finding simplicity: unsupervised discovery of features, patterns, and order parameters via shift-invariant variational autoencoders *

Abstract Recent advances in scanning tunneling and transmission electron microscopies (STM and STEM) have allowed routine generation of large volumes of imaging data containing information on the structure and functionality of materials. The experimental data sets contain signatures of long-range phenomena such as physical order parameter fields, polarization, and strain gradients in STEM, or standing electronic waves and carrier-mediated exchange interactions in STM, all superimposed onto scanning system distortions and gradual changes of contrast due to drift and/or mis-tilt effects. Correspondingly, while the human eye can readily identify certain patterns in the images such as lattice periodicities, repeating structural elements, or microstructures, their automatic extraction and classification are highly non-trivial and universal pathways to accomplish such analyses are absent. We pose that the most distinctive elements of the patterns observed in STM and (S)TEM images are similarity and (almost-) periodicity, behaviors stemming directly from the parsimony of elementary atomic structures, superimposed on the gradual changes reflective of order parameter distributions. However, the discovery of these elements via global Fourier methods is non-trivial due to variability and lack of ideal discrete translation symmetry. To address this problem, we explore the shift-invariant variational autoencoders (shift-VAEs) that allow disentangling characteristic repeating features in the images, their variations, and shifts that inevitably occur when randomly sampling the image space. Shift-VAEs balance the uncertainty in the position of the object of interest with the uncertainty in shape reconstruction. This approach is illustrated for model 1D data, and further extended to synthetic and experimental STM and STEM 2D data. We further introduce an approach for training shift-VAEs that allows finding the latent variables that comport to known physical behavior. In this specific case, the condition is that the latent variable maps should be smooth on the length scale of the atomic lattice (as expected for physical order parameters), but other conditions can be imposed. The opportunities and limitations of the shift VAE analysis for pattern discovery are elucidated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

End-Use Savings Shapes Measure Documentation: Thermostat Control for Load Shifting in Large Offices

This documentation focuses on a single end-use savings shape measure - thermostat control for load shifting. The thermostat control for load shifting measure applies heating and cooling temperature setpoint adjustment for pre-conditioning before the peak window. The measure takes daily peak load schedule inputs generated by the method "Dispatch Schedule Generation" described in the "Supplemental Documentation: Dispatch Schedule Generation for Demand Flexibility Measures" to determine the start time of the peak window, and then adjusts the thermostat cooling or heating setpoints by a specified offset value from original schedules to precool or preheat the space , for a specified length of time before the start of peak window, and thus shifts load in the peak window to the pre-conditioning period. The measure is flexible and allows users to adjust the heating and cooling offset values and length of pre-conditioning period, but for this study, the load shifting strategy is applied as pre-cooling only (adjusting only cooling setpoints). The default adjustment for cooling setpoints is set to -1 degrees Celsius , and the default duration of pre-cooling is 1 hour. This measure is applicable to large offices equipped with electric HVAC system, which account for approximately 8.72% of the ComStock floor area. The thermostat control for load shifting measure demonstrates -1% daily peak demand reduction and 0% total site energy savings (0 trillion British thermal units [TBtu]) for the U.S. commercial building stock modeled in ComStock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Alignment Method for Synchronized Phase Angle Measurement With Presence of Practical Time Shift

Synchronized Phase Angle Measurements (SPAMs) are widely used in power systems in the applications of situational awareness. However, the practical time shifts can lead to unexpected angle differences among Phasor Measurement Units (PMUs) manufactured from various vendors. Moreover, since most of PMUs calculate phase angle via Discrete Fourier Transform based approaches, this issue becomes even worse under the off-nominal frequency condition. To mitigate the impact of practical timing shift, this letter presents a fast method to rectify the SPAM for appropriate alignment. To verify the performance of the proposed method, laboratory and field tests have been conducted by implementing the method in PMUs and phasor data concentrators, respectively. The results demonstrate that the standard deviations of the phase angle differences have significantly decreased to 0.1$^{\circ }$ order with the adoption of the proposed method.

42 ENGINEERING↗
DOE OSTI2020

The second-generation Shifted Boundary Method and its numerical analysis

Recently, the Shifted Boundary Method (SBM) was proposed within the class of unfitted (or immersed, or embedded) finite element methods. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we present enhanced variational SBM formulations for the Poisson and Stokes problems with improved flexibility and robustness. These simplified variational forms allow to relax some of the assumptions required by the mathematical proofs of stability and convergence of earlier implementations. First, we show that these new SBM implementations can be proved asymptotically stable and convergent even without the rather restrictive assumption that the inner product between the normals to the true and surrogate boundaries is positive. Second, we show that it is not necessary to introduce a stabilization term involving the tangential derivatives of the solution at Dirichlet boundaries, therefore avoiding the calibration of an additional stabilization parameter. Finally, we prove enhanced L 2 -estimates without the cumbersome assumption – of earlier proofs – that the surrogate domain is convex. Instead we rely on a conventional assumption that the boundary of the true domain is smooth, which can also be replaced by requiring convexity of the true domain. The aforementioned improvements open the way to a more general and efficient implementation of the Shifted Boundary Method, particularly in complex three-dimensional geometries. We complement these theoretical developments with numerical experiments in two and three dimensions.

42 ENGINEERING↗
DOE OSTI2021

Aqueous-phase effects on ethanol decomposition over Ru-based catalysts

The effects of an aqueous phase on ethanol decomposition for hydrogen production over a Ru(0001) catalyst surface model have been investigated from first principles. Solvent effects on the reaction mechanism and kinetic parameters have been quantified with the help of a microkinetic reactor model, density functional theory, and an implicit solvation scheme (iSMS). Our calculations indicate that in both vapor- and aqueous-phase reaction environments, the ethanol decomposition starts with acetaldehyde formation on the surface, some of which further dehydrogenates to ketenyl species (CHCO), where the C–C bond cleaves to form methylidyne (CH) and CO. In the vapor phase, adsorbed CH gets hydrogenated to methane, and CO desorbs or undergoes methanation reducing the amount of hydrogen produced. In contrast, under aqueous phase reaction conditions, the methanation is inhibited, and the water–gas shift (WGS) reaction is accelerated, leading to complete conversion of CO to CO 2 and H 2 . Furthermore, calculations indicate that the observed reaction behavior under aqueous phase reforming conditions originates primarily from the higher water chemical potential, and implicit solvent models predict only a small solvation effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Radiation Response of Ga 2 O 3 MOSFETs Probed via Focused Particle Beams

Gallium Oxide (Ga 2 O 3 ), particularly in its β-phase, is attracting lots of interest for high-power and high-voltage electronics due to its wide bandgap, high breakdown field, and thermal stability. This study investigates the radiation response of Ga 2 O 3 Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs) under Total Ionizing Dose (TID) and Displacement Damage (DD) conditions, which are critical for applications in radiation environments. Utilizing a dual-beam Focused Ion Beam and Scanning Electron Microscope setup, microscale analysis of radiation effects on individual devices is performed. The findings reveal distinct behaviors under TID and DD + TID conditions, with TID leading to threshold voltage shifts due to trapped charges, while DD results in decreased drive current attributed to increased carrier scattering from lattice defects. Notably, it is demonstrated that the TID effect can be mitigated through dynamic threshold voltage adjustments and that the predicted TID from ions calculated by Monte Carlo simulations overestimates actual TID due to unaccounted charge yield effects. In conclusion, this research enhances the understanding of Ga2O3 MOSFETs' performance in harsh radiation environments, providing insights for the design of robust electronic devices for space and nuclear applications.

MOSFET↗
DOE OSTI2025

Iron (IV) Formation and the pH Dependent Kinetics of the Fenton Reaction

Despite its widespread importance for biological and environmental chemistry and decades of study, the mechanism underlying the Fenton reaction is still a matter of some controversy. Here, to elucidate the pH dependence of this complex reaction, a new kinetic model is developed to explain the increase in rate and mechanistic shift that occurs from acidic to neutral conditions. This mechanism originated from a re-analysis of a previously proposed model, which neglected explicit iron speciation, leading to unrealistic rate constants. Accounting for speciation suggests a much faster formation rate of Fe(IV), which is estimated to be on the order of 10 6 M −1 s −1 . Expanding on prior kinetic studies that include speciation under acidic conditions, we propose a unified kinetic model that captures the pH-dependent rate acceleration in Fe(II) oxidation by H 2 O 2 , which is a significant step toward resolving the long-standing mechanistic ambiguity of Fenton chemistry.

Cohen, Liron [Lawrence Berkeley National Laborator↗
DOE OSTI2022

Operando X-ray Absorption Spectroscopy Study of SnO 2 Nanoparticles for Electrochemical Reduction of CO 2 to Formate

Tin–based electrocatalysts exhibit a remarkable ability to catalyze CO 2 to formate selectively. Understanding the size-property relationships and exploring the evolutions of active size still lack complete understanding. Herein, we prepared SnO 2 nanoparticles (NPs) with controllable size supported on commercial carbon spheres (SnO 2 /C–n, n=1,2,3) by a simple low-temperature annealing method. The transmission electron microscopy(TEM)/scanning transmission electron microscope (STEM) images and fitting results of the small angle X-ray scattering (SAXS) profile confirm the increased size of SnO 2 NPs as the increase of SnO 2 loading. The catalytic performance of SnO 2 has proved the size-dependent effect during CO 2 reduction reaction process. The as-prepared SnO 2 /C–1 displayed the maximum Faradic efficiency of formate (FE HCOO– ) of 82.7% at –1.0 V vs. RHE. In contrast, SnO 2 /C–2 and SnO 2 /C–3 with larger particle sizes achieved lower maximum FE HCOO– and larger overpotential. Moreover, we employed operando XAS to study the evolution of the oxidation state and local coordination environment of SnO 2 under working conditions. In addition to the observed the shifts of rising edge of Sn K-edge X-ray absorption near edge structure (XANES) spectra to lower energy side as the applied voltage decreases, the decreased coordination number of Sn in the Sn-O scattering path and the presence of Sn mental contribution in extended X-ray absorption fine structure (EXAFS) spectra verify the reduction of SnO 2 to SnO x and metallic Sn.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Key Environmental and Ecological Variables of Wetland CH 4 and CO 2 Fluxes Change With Warming

Wetlands are important ecosystems for the global carbon cycle, impacting regional and global methane (CH 4 ) and carbon dioxide (CO 2 ) budgets. This study examines how environmental and ecological variables impact wetland CH 4 flux and net ecosystem exchange of CO 2 (NEE) across 17 sites globally. We also quantified the importance of variables for each wetland type and site at monthly scale under normal and warm temperatures using dominance analysis. We identified soil and air temperature (TS, TA, respectively) as key variables influencing wetland CH4, and latent heat (LE) and shortwave radiation (SW) for NEE under normal and warm conditions. However, the importance of some variables shifted with warming. For predicting the variability of wetland CH4 flux under warming, gross primary productivity (GPP) and LE, replacing wind direction (WD), were dominant variables for tropical swamps, while NEE was important for high-latitude fens and bogs under warm temperatures. For wetland NEE, the role of TA and TS decreased across all wetland types with warming, while vapor pressure deficit (VPD) became more important for mid and high-latitude wetlands. Our results reveal the complex responses of wetland carbon flux to environmental and ecological variables with warming and provide new insights into improving wetland models by incorporating additional variables and accounting for the changing roles of variables in carbon flux under warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

More concentrated precipitation decreases terrestrial water storage

Terrestrial water availability is a key determinant of human and ecosystem well-being. Apart from mean precipitation and evaporation changes, it is unknown how daily-scale precipitation concentration into fewer, heavier events affects hydrologic partitioning and the land water balance. Here we show observationally that more concentrated precipitation decreases land water availability across all climates globally, a drying effect as strong in magnitude as the wetting effect of increased total precipitation. Simple and complex land-surface models recover the observed effect, whereas idealized simulations show that it arises from enhanced evaporation caused by hydrologic partitioning changes at the land surface. Projected terrestrial water storage impacts of warming-driven precipitation concentration at about 2 °C of warming shift the land surface to abnormally dry conditions (≥0.5 standard deviation) for 27% of the global population, independent of any total precipitation or irrigation changes. Our results show new key determinants of the land water balance, highlighting its sensitivity to the temporal distribution of precipitation, with broad implications for future water availability.

climate change↗
DOE OSTI2025

Organic molecules are deterministically assembled in variably inundated river sediments, but drivers remain unclear

Dissolved organic matter (DOM) is central to ecosystem function. A fundamental challenge is understanding the processes leading to variation in the chemistry of organic molecules that comprise DOM. Here we study these processes in variably inundated riverbed sediments, as an understudied, yet ubiquitous component of rivers. Using null-model approaches adopted from community ecology, we found that within-site variation in environmental conditions caused non-random (i.e., deterministic) shifts in DOM chemistry. Deterministic shifts were observed across diverse biomes, though the strength of determinism varied substantially. We found that the strength of determinism decreased with increasing sediment moisture, but in the form of a constraint space. Many systems fell below the upper constraint boundary, however. We propose a conceptual model based on our results and other publications in which DOM assemblages are hypothesized to be increasingly deterministic across the continuum from the river water column to saturated sediment pore spaces to unsaturated and dry soils/sediments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Coherent manipulation of graph states composed of finite-energy Gottesman-Kitaev-Preskill-encoded qubits

Graph states are a central resource in measurement-based quantum information processing. In the photonic qubit architecture based on Gottesman-Kitaev-Preskill (GKP) encoding, the generation of high-fidelity graph states composed of realistic, finite-energy approximate GKP-encoded qubits thus constitutes a key task. We consider the finite-energy approximation of GKP-qubit states given by a coherent superposition of shifted finite-squeezed vacuum states, where the displacements are Gaussian distributed. We present an exact description of graph states composed of such approximate GKP qubits as a coherent superposition of a Gaussian ensemble of randomly displaced ideal GKP-qubit graph states. Using standard Gaussian dynamics, we track the transformation of the covariance matrix and the mean-displacement vector elements of the Gaussian distribution of the ensemble under tools such as GKP-Steane error-correction and fusion operations that can be used to grow large high-fidelity GKP-qubit graph states. The covariance matrix elements capture the noise in the graph state due to the finite-energy approximation of GKP qubits, while the mean displacements relate to the possible absolute shift errors on the individual qubits arising conditionally from the homodyne measurements that are a part of these tools. Our work thus pins down an exact coherent error model for graph states generated from truly finite-energy GKP qubits, which can shed light on their error-correction properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗