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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Considerations for AMI-Based Operations for Distribution Feeders

More than $5 billion in investments in advanced metering infrastructure (AMI) technologies, AMI deployments, as pervasive secondary network voltage monitoring systems, provide opportunities for utility operations and controls. This paper focuses on the considerations for AMI-based tools and techniques as the industry moves toward operationalizing such large data sets. Phase identification is a first such tool. Numerous distribution network analysis, monitoring, and control applications - including volt/volt-ampere reactive control, state estimation, and distribution automation - require accurate phase connectivity information in the system models. The phase connectivity database maintained by utilities is inaccurate because of a significant amount of missing data, restoration activities, and network reconfiguration. Existing phase identification techniques that estimate phase connectivity work well in distribution feeders that have low or no photovoltaic (PV) generation; however, they fail to identify the phases accurately when considerable PV generation is present. This work addresses the phase identification problem in the presence of high PV generation using statistical analysis methods. Further, insights into the AMI data requirements for this application in terms of data window length and resolution are provided using sensitivity analysis performed on an actual distribution feeder model of San Diego Gas & Electric Company. The results of this study show that the phase connectivity, even in the presence of high PV generation, can be accurately identified using statistical analysis of AMI data of 1 day.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Automating Component-Level Stress Measurements for Inverter Reliability Estimation

In the near future, grid operators are expected to regularly use advanced distributed energy resource (DER) functions, defined in IEEE 1547-2018, to perform a range of grid-support operations. Many of these functions adjust the active and reactive power of the device through commanded or autonomous operating modes which induce new stresses on the power electronics components. In this work, an experimental and theoretical framework is introduced which couples laboratory-measured component stress with advanced inverter functionality and derives a reduction in useful lifetime based on an applicable reliability model. Multiple DER devices were instrumented to calculate the additional component stress under multiple reactive power setpoints to estimate associated DER lifetime reductions. A clear increase in switch loss was demonstrated as a function of irradiance level and power factor. This is replicated in the system-level efficiency measurements, although magnitudes were different—suggesting other loss mechanisms exist. Using an approximate Arrhenius thermal model for the switches, the experimental data indicate a lifetime reduction of 1.5% when operating the inverter at 0.85 PF—compared to unity PF—assuming the DER failure mechanism thermally driven within the H-bridge. If other failure mechanisms are discovered for a set of power electronics devices, this testing and calculation framework can easily be tailored to those failure mechanisms.

Flicker, Jack (ORCID:0000000212232154)↗
DOE OSTI2021

Decentralized Data-Driven Estimation of Generator Rotor Speed and Inertia Constant Based on Adaptive Unscented Kalman Filter

This paper proposes an online decentralized and data-driven method for synchronous generator rotor speed and inertia estimation. First, an analytical relationship between the generator terminal voltage/current phasors and its internal rotor speed is derived using the Thevenin equivalent. The parameters of the latter are obtained via a recursive estimator, which allows us to estimate the generator's internal rotor speed from voltage/current phasors without the need for any generator information. Second, we reformulate the equivalent swing equation into the Kalman filter form, which enables us to use a priori-estimated internal rotor speed along with measured real and reactive power injections to obtain an estimate of the inertia for each online synchronous generator. This is achieved through an adaptive unscented Kalman filter. We demonstrate that the use of terminal bus frequency to approximate the rotor speed for inertia estimation by existing methods leads to large estimation biases/errors. Numerical simulations carried out on the IEEE 39-bus and Texas 2000-bus systems reveal that our proposed method is consistently more accurate than existing methods. Moreover, our proposed method is insensitive to both the type and location of system disturbances, and it is robust to different levels of measurement noise.

bus frequency↗
DOE OSTI2026

Assembly Bowing Reactivity Calculation Methodology Applied to Lead Fast Reactor

Ducted assemblies bow during operation due to power and temperature gradients which can be influenced by operating flow rates. For fast spectrum cores using ducted assemblies, the bowing behavior follows that of the duct and because there are gaps between the ducts, the bowing can result in compaction or expansion of the active core. This local displacement can have a positive or negative impact and knowing the net effect during transients is important for system reactivity control. Keeping the net bowing reactivity worth low is possible with attentive placement of load pads above the active core and selecting load pad gap thicknesses that result in a desired behavior at standard operating conditions. This paper considers a Lead Fast Reactor (LFR) concept fueled by HALEU UO2 developed by Westinghouse Electric Company (WEC) and applies a workflow of Argonne-developed codes to estimate the core bowing reactivity worth. Using orifice flow rates grouped by assembly type, the net reactivity impact due to core assembly bowing for the LFR was found to be small and in line with other liquid metal fast reactors: +29/+32/+35 pcm, or about +$0.049/+$0.055/+$0.059, for BOEC/MOEC/EOEC, respectively.

bowing reactivity↗
DOE OSTI2026

Geochemical evolution in Cacapon member: Fluid-rock interaction experiments and model insights for Appalachian Basin geothermal development

Here, this study combines recirculated flow-through experimental results conducted for 17 days at 90C and 200 PSI with reactive transport modeling to estimate fluid-rock interactions occurring in a sandy mudstone using an interbedded sandstone-shale sample from the Cacapon Member of the upper Tuscarora Sandstone/lower Rose Hill Formation for the purpose of geothermal exploration. Results suggest that the fluid and rock are likely to be in or near partial-equilibrium after approximately one year. In addition, after >400 h of continuous injection at 0.05 mL/min (5*10 −8 m 3 /min) the reactive front is restricted to the first ∼13% of the 4 cm*1.6 cm experimental rock length, whereas after >9100 h (∼1 year), the reactive front extends to 30% total length. The rate of changes in dissolution or precipitation are however, very minimal, with all major rock-forming minerals having rates <10 −11 mol/L porous media/s. Reservoir rock in the presence of dilute brine as may be the case during operation of an enhanced geothermal system would experience little alteration during the shut-in phase, and possibly up to one year. These results have utility in geothermal exploration for reservoirs at similar temperatures as well as general fluid-sandy mudstone rock interaction geochemistry.

Appalachian Basin↗
DOE OSTI2020

On the Network Topology of Cross-Linked Acrylate Photopolymers: A Molecular Dynamics Case Study

A reactive molecular dynamics approach is used to simulate cross-linking of acrylate polymer networks. By employing the same force field and reactive scheme and studying three representative multifunctional acrylate monomers, we isolate the importance of the nonreactive moieties within these model monomers. Analyses of reactive trajectories benchmark the estimated gel points, cyclomatic character, and spatially resolved cross-linking tendencies of the acrylates as a function of conversion. The insights into the similarities and differences of the polymerization and resulting networks presented here suggest molecular mechanics as a useful tool in the rational design of photopolymerization resins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Community Data Mining Approach for Surface Complexation Database Development

This paper presents a comprehensive data-to-model workflow, including a findable, accessible, interoperable, reusable (FAIR) community sorption database (newly developed LLNL Surface Complexation/Ion Exchange (L-SCIE) database) along with a data fitting workflow to efficiently optimize surface complexation reaction constants with multiple surface complexation model (SCM) constructs. This workflow serves as a universal framework to mine, compile, and analyze large numbers of published sorption data as well as to estimate reaction constants for parameterizing reactive transport models. Here the framework includes (1) data digitization from published papers, (2) data unification including unit conversions, and (3) data-model integration and reaction constant estimation using geochemical software PHREEQC coupled with the universal parameter estimation code PEST. We demonstrate our approach using an analysis of U(VI) sorption to quartz based on a first L-SCIE implementation, concluding that a multisite SCM construct with carbonate surface species yielded the best fit to community data. Surface complexation reaction constants extracted from this approach captured all available sorption data available in the literature and provided insight into previously published reaction constants and surface complexation model constructs. The L-SCIE sorption database presented herein allows for automating this approach across a wide range of metals and minerals and implementing novel machine learning approaches to reactive transport in the future.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Variational deep learning of equilibrium transition path ensembles

Here, we present a time-dependent variational method to learn the mechanisms of equilibrium reactive processes and efficiently evaluate their rates within a transition path ensemble. This approach builds off of the variational path sampling methodology by approximating the time-dependent commitment probability within a neural network ansatz. The reaction mechanisms inferred through this approach are elucidated by a novel decomposition of the rate in terms of the components of a stochastic path action conditioned on a transition. This decomposition affords an ability to resolve the typical contribution of each reactive mode and their couplings to the rare event. The associated rate evaluation is variational and systematically improvable through the development of a cumulant expansion. We demonstrate this method in both over- and under-damped stochastic equations of motion, in low-dimensional model systems, and in the isomerization of a solvated alanine dipeptide. In all examples, we find that we can obtain quantitatively accurate estimates of the rates of the reactive events with minimal trajectory statistics and gain unique insights into transitions through the analysis of their commitment probability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Comparison of basin-scale in situ and meteoric 10 Be erosion and denudation rates in felsic lithologies across an elevation gradient at the George River, northeast Tasmania, Australia

Long-term erosion rates in Tasmania, at the south ern end of Australia’s Great Dividing Range, are poorly known; yet, this knowledge is critical for making informed land-use decisions and improving the ecological health of coastal ecosystems. Here, we present quantitative, geologically relevant estimates of erosion rates for the George River basin, in northeast Tasmania, based on in situ-produced 10 Be ( 10 Be i ) measured from stream sand at two trunk channel sites and seven tributaries (mean: 24.1 ± 1.4 Mg km -2 yr -1 ; 1σ). These new 10 Bei-based erosion rates are strongly related to elevation, which appears to control mean annual precipitation and temperature, suggesting that elevation-dependent surface processes influence rates of erosion in northeast Tas mania. Erosion rates are not correlated with slope in contrast to erosion rates along the mainland portions of Australia’s Great Dividing Range. We also extracted and measured meteoric 10 Be ( 10 Be m ) from grain coatings of sand-sized stream sediment at each site, which we normalize to measured concentrations of reactive 9 Be and use to estimate 10 Be m -based denudation rates for the George River. 10 Bem/ 9 Be reac denudation rates replicate 10 Be i erosion rates within a factor of 3 but are highly sensitive to the value of 9 Be that is found in bedrock ( 9 Be parent ), which was unmeasured in this study. 10 Bem/ 9 Be reac denudation rates seem sensitive to recent mining, forestry, and agricultural land use, all of which resulted in widespread topsoil disturbance. Our findings suggest that 10 Bem/ 9 Be reac denudation metrics will be most useful in drainage basins that are geologically homogeneous, where recent disturbances to topsoil profiles are minimal, and where 9 Be parent is well constrained.

58 GEOSCIENCES↗
DOE OSTI2025

Impact of the delayed energy deposition in TREAT on transient dynamics

Estimating the energy released during a reactivity insertion accident (RIA) is of prime importance. TREAT is an experimental reactor designed to simulate these transients. Typically, models of these transients assume instantaneous energy deposition. However, a delayed energy deposition component exists. This work leverages the advanced capabilities of ALFRED, a high-fidelity Monte Carlo code for particle transport, to study the impact of this delayed component on RIA transient dynamics in TREAT. The study reveals that the delayed component can affect the energy released by up to $3\%$ for natural pulse transients. Understanding the impact of the delayed energy deposition component will enable the development of more accurate models, which will assist in designing experiments in TREAT and evaluating their safety.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Modeling and Impact of Hyperloop Technology on the Electricity Grid

This paper provides an overview of hyperloop technologies, including a brief discussion of key components of a hyperloop system that determine the electric power requirements as a function of time. At-scale hyperloop systems do not yet exist, so a model was used to generate a set of load profiles for conceptual hyperloop realizations at four locations in the United States: two systems in California and one each in Colorado and Ohio. In all four cases, the modeled hyperloop load profiles included pulses in both active and reactive power. Grid modeling was performed to estimate the grid impacts and for dis-cussing grid integration challenges. The paper discusses how energy storage systems might be used to eliminate the pulsating load characteristics or significantly reduce it to accommodate current grid planning guidelines

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Investigating Secondary Aerosol Processes in the Amazon through Molecular-level Characterization of Semi-Volatile Organics

In areas where biogenic emissions are oxidized in the presence of anthropogenic pollutants, it has become increasingly apparent that secondary organic aerosol (SOA) formation from biogenic volatile organic compounds (BVOCs) is substantially enhanced. The Amazon forest is the dominant source of BVOCs globally, and the forest is rapidly being converted to urban and agricultural uses. We participated in a collaborative field study located in the Amazon region around Manaus, Brazil, in 2014 (Green Ocean Amazon; GoAmazon). This study was designed to comprehensively examine how BVOC emissions (specifically, the most highly emitted non-methane hydrocarbon, isoprene, and lesser studied sesquiterpenes) and their interaction with anthropogenic pollution (i.e., nitrogen oxides, sulfur dioxide, and black carbon) alter the atmosphere’s oxidative capacity, influence secondary aerosol formation, atmospheric composition and, ultimately, affect the earth’s radiation balance and climate. We provide the first hourly, in-situ measurement of 30 sesquiterpenes and 4 diterpenes, roughly estimating that sesquiterpene oxidation contributes to 10-14% of ozone reactive loss by terpenes and at least 0.4–5% (median 1 %) of total submicron OA mass. However, this is likely a low-end estimate, as evidence for additional unaccounted sesquiterpenes and their oxidation products clearly exists. We also provide new perspectives on sulfate, NO x , and particle acidity influencing isoprene-derived SOA, comparing the central Amazon environment with Southeastern U.S.A. summer, representing clean to polluted conditions, respectively. We find that summed concentrations of isoprene-derived SOA tracers correlated with particulate sulfate spanning three orders of magnitude, suggesting that 1 μg m -3 reduction in sulfate corresponds with at least ~0.5 μg m -3 reduction in isoprene-derived SOA. We also find that SOA mass derived from isoprene oxidation in the presence of NO x is primarily comprised of aerosol sulfate bound with isoprene oxidation products (i.e. organosulfates), ~97% in the Amazon and ~55% in the Southeastern U.S. We infer under natural conditions in high isoprene emission regions, preindustrial aerosol sulfate was almost exclusively isoprene-derived organosulfates, which are traditionally thought as representative of anthropogenic influence. We further report the first field observations showing that particle acidity impacts the distribution of isoprene oxidation tracers in the gas and particle phases, providing physicochemical insight into isoprene SOA formation chemistry. Coupled with other co-located measurements by the DOE Atmospheric Radiation Measurement (ARM) team and collaborating PIs at our measurement site (called T3), on the G1 aircraft, and at additional field sites (T0, T1, T2) this data set has been used to understand emission, oxidation, and particle formation pathways at the molecular level, to elucidate how these pathways change when influenced by anthropogenic sources, and to evaluate their importance for the atmospheric budget of aerosols and the earth’s radiation balance on regional scales. Recommendations: Further constraint of the role of sesquiterpenes on ozone (O 3 ) reactivity and SOA formation is limited by the availability of authentic standards and synthesized compounds of sesquiterpenes and their oxidation products. Future research efforts should focus on making such standards available via custom synthesis to allow for accurate quantification and focused oxidation experiments that will fully elucidate the chemistry of these compounds in the atmosphere. Further, reductions in aerosol sulfate (via SO 2 emissions control) continues to be one of the most effective methods to reduce SOA formation from isoprene, but the concerted role of ammonia (NH 3 ) gas emissions from (agricultural) industry and other sources requires more investigation to better understand the role of aerosol acidity in SOA formation and potential controls. As GoAmazon particles can be more acidic compared to areas with greater anthropogenic NH 3 emissions, this promotes relatively greater organosulfate (OS) formation from isoprene even in the presence of NO x . Because OS and inorganic sulfate differ in water uptake properties, this implies preindustrial aerosol sulfate (albeit less abundant) may have been less reflective than current earth system models assume. Further research should investigate the radiative impacts of organic vs inorganic sulfate in aerosols to improve model representation. Finally, future work (currently underway) should include constraint of the contributions of monoterpene (C 10 H 16 ) BVOCs and biomass burning VOCs as precursors to SOA formation in the region as well as their impacts on radiative forcing in the climate system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Comparison of DER Voltage Regulation Technologies Using Real-Time Simulations

Grid operators are now considering using distributed energy resources (DERs) to provide distribution voltage regulation rather than installing costly voltage regulation hardware. DER devices include multiple adjustable reactive power control functions, so grid operators have the difficult decision of selecting the best operating mode and settings for the DER. In this work, we develop a novel state estimation-based particle swarm optimization (PSO) for distribution voltage regulation using DER-reactive power setpoints and establish a methodology to validate and compare it against alternative DER control technologies (volt–VAR (VV), extremum seeking control (ESC)) in increasingly higher fidelity environments. Distribution system real-time simulations with virtualized and power hardware-in-the-loop (PHIL)-interfaced DER equipment were run to evaluate the implementations and select the best voltage regulation technique. Each method improved the distribution system voltage profile; VV did not reach the global optimum but the PSO and ESC methods optimized the reactive power contributions of multiple DER devices to approach the optimal solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Influence of sampling frequency and estimation method on phosphorus load uncertainty in the Western Lake Erie Basin, Ohio, USA

Accurate estimates of nutrient loads are necessary to identify critical source areas and quantify the impact of management practices on pollutant export. Previous studies have investigated nutrient load estimate uncertainty, but they often focus on nutrient loads estimated using an interpolation method for large-scale watersheds with short-term datasets. The study objective was to quantify uncertainty in soluble reactive phosphorus (SRP), total phosphorus (TP), and suspended solids (SS) load estimates from two small (<10 3 km 2 ) agricultural watersheds in the western Lake Erie Basin resulting from different sampling frequencies. Each watershed had high temporal resolution datasets of discharge (15 min) and nutrient concentration (1 to 3 samples per day) collected over a 30-year period (1990–2020). Firstly, SRP, TP, and SS loads were calculated using the high temporal resolution datasets, which was assumed as “true loads”. Secondly, the high temporal concentration data were decomposed to semiweekly, weekly, biweekly, and monthly sampling and annual loads were estimated using four common load estimation methods to assess the effect of sampling frequency and load estimation method on load estimate error. Across the four different methods, the composite method had the lowest relative root mean square and absolute bias, but the rectangular interpolation method was the most precise. Furthermore, even with semiweekly sampling, the composite method resulted in an unacceptable level of precision (average imprecision = 39 %), while the interpolation method resulted in an unacceptable bias (average absolute bias = 16 %). Because neither method could provide acceptable accuracy and precision at the lowest decrease in sampling (e.t. semiweekly sampling), continued daily sampling is recommended in these watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Stimulated geologic hydrogen: from mechanistic control to engineered rock transformation

Geologic hydrogen (GeoH 2 ) generated from subsurface iron-rich rock–water reaction (i.e., serpentinization) is emerging as a promising candidate for the next primary energy source. Yet, accelerating GeoH 2 production from geological to human timescales via enhanced serpentinization remains a formidable scientific and technical challenge. Here, in this Review, we decipher the mechanistic control and explore strategies for accelerating in situ, engineered iron-rich rock transformation into carbon-free GeoH 2 by orders of magnitude. Serpentinization rate is hindered by low porosity and permeability of source rocks, suboptimal temperatures, unfavorable water chemistry, inefficient Fe 2+ -to-Fe 3+ conversion, thermodynamic constraints, and low reactive surface area. While closed-system experiments provide valuable mechanistic insights, open-system conditions with fluid circulation are more crucial for economically viable GeoH 2 production. We assess stimulation techniques from enhanced hydrocarbon and geothermal recovery as tools to be adopted or adapted for increasing reactive surface areas for stimulated GeoH2 production. We estimate that 7.40 × 10 5 to 1.73 × 10 6 million metric tons (Mt) of hydrogen could be engineered over 20 to 50 years from about 10% iron-rich rocks within 10 km depth of continental crust. Enabling GeoH 2 as a viable energy source requires not only advancing scientific frontiers but also forming a global GeoH 2 research network and innovation ecosystem to address the critical scientific, technical, societal, economic, and policy challenges.

08 HYDROGEN↗
DOE OSTI2025

Activation of propane on Ag–PdO(101) model surfaces

Oxidation of alkanes remains a central challenge in catalysis due to the high activation barriers of C–H bonds and the thermodynamic favorability of complete oxidation. Palladium oxide (PdO), particularly its (101) facet, is known for its high reactivity in alkane oxidation, which is attributed to its coordinatively unsaturated palladium (Pd) and O atoms. In this study, we investigate the effect of silver (Ag) incorporation on the oxidation behavior of propane over PdO(101) using temperature-programmed reaction spectroscopy (TPRS) under controlled conditions. While pristine PdO(101) exhibits complete oxidation of propane with CO₂ and H₂O desorption at high temperatures (approximately 475 K), Ag incorporation induces a new CO₂ desorption peak at significantly lower temperatures (approximately 330 K). This shift is attributed to the formation of new active sites at the Ag–PdO(101) interface. Quantitative analysis reveals that low-temperature activity correlates with Ag coverage, while overall CO₂ production decreases, suggesting a redistribution of reactivity rather than an increase in active surface area. Activation energy estimations using the Redhead method confirm that C–H bond activation becomes more facile at the interface, with a 46 kJ/mol reduction compared to pristine PdO(101). These findings demonstrate that incorporating a less reactive metal such as Ag into PdO surfaces not only modifies the reaction energetics but also enables the design of bimetallic catalysts with improved selectivity for partial oxidation reactions.

Chemistry↗
DOE OSTI2020

KRUSTY Experiment: Reactivity Insertion Accident Analysis

The centerpiece of the Kilopower Project, i.e., the Kilowatt Reactor Using Stirling TechnologY (KRUSTY) test, consists of the development and testing of a ground technology demonstration of a small fission power system based on a 1-kW(electric) space science power requirement. The KRUSTY test was authorized by the U.S. Department of Energy’s (DOE’s) National Nuclear Security Administration Nevada Field Office. Authorization was obtained by adding an amendment to the existing regulatory documents for the National Criticality Experiments Research Center to cover the KRUSTY experiment. This amendment was reviewed and approved by the DOE. The most important safety question for the experiment was the addition of over 2 $ of excess reactivity to the reactor system. This amount of excess reactivity meant that the analyst could postulate accidents where the reactor went prompt critical, leading to physical shock or melting of the fuel. This paper analyzes these accidents using computer calculations and examines the controls used to mitigate them. The estimation of the impacts both on accident progression and consequences of reactivity insertion events was a significant part of obtaining approval for the KRUSTY experiment. The regulatory approval of KRUSTY was one of the first to be obtained for a completely new reactor concept in many decades.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Local Power-Voltage Sensitivity and Thevenin Impedance Estimation from Phasor Measurements

This paper describes how to use voltage phasor measurements to produce a sensitivity matrix that describes how real and reactive power injections at a node on a distribution network affect the local voltage magnitude and angle. Rather than estimating the sensitivity directly, the voltage phasor measurements and power commands/measurements are used to estimate the unbalanced, three-phase Thevenin impedance. The Thevenin impedance estimation is conducted using recursive least squares on temporal difference measurements. The Thevenin impedance and voltage phasor measurement are then used to build the local power-voltage sensitivity matrix with the closed form expression for the Jacobian of the power flow manifold. Hardware-in-the-loop simulations with phasor measurement units providing real phasor measurements are used to evaluate the recursive temporal difference Thevenin impedance estimation and Thevenin-based power-voltage sensitivity methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗