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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
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↗
NASA NTRS1973

Reactivity change in a fast-spectrum space power reactor due to a 328-meter-per-second (1075-ft/sec) impact

Application of nuclear reactors in space will present operational problems. One such problem is the possibility of an earth impact at velocities in excess of 305 m/sec (1000 ft/sec). This report shows the results of an impact against concrete at 328 m/sec (1075 ft/sec) and examines the deformed core to estimate the range of activity inserted as a result of the impact. The results of this examination are that the deformation of the reactor core within the containment vessel left only an estimated 2.7 percent void in the core and that the reactivity inserted due to this impact deformation could be from 4.0 to 10.25 dollars.

Peoples, J. A., Jr.↗
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↗
DOE OSTI2020

Power Factor revisited

Power factor is a term whose value can be found by dividing the power in a load to the product of the voltage and the current. It has been used as a rule of thumb to estimate the cost of the losses incurred in delivering reactive power. But it has been extremely troublesome. The same load might be penalized by some definitions, and might not by others. That is still the situation today. There have been two efforts at solution. In 1919 a committee of experts was formed to solve the problem of its definition. The effort did not succeed at producing a definition; two alternatives were recommended in the committee’s final report, but both were adopted. In 2010, IEEE issued Standard 1459 to give definitions. In this standard, definitions of power factor appear under no less than seven different headings. The problem demands solution. The matter is of considerable economic importance to power producers, consumers, and instrument makers. This paper examines the history of the topic, and explores reasons for the difficulty of definition in terms of measurement theory. It is shown that power factor is not suited to purpose. In fact, no definition can exist that will define power factor usefully for its intended economic purpose. Two alternatives are proposed.

power factror, definitions, measurement theory, IE↗
DOE OSTI2022

Mass Transport Limitations and Kinetic Consequences of Corn Stover Deacetylation

Alkaline pretreatment of herbaceous feedstocks such as corn stover prior to mechanical refining and enzymatic saccharification improves downstream sugar yields by removing acetyl moieties from hemicellulose. However, the relationship between transport phenomena and deacetylation kinetics is virtually unknown for such feedstocks and this pretreatment process. Here, we report the development of an experimentally validated reaction–diffusion model for the deacetylation of corn stover. A tissue-specific transport model is used to estimate transport-independent kinetic rate constants for the reactive extraction of acetate, hemicellulose and lignin from corn stover under representative alkaline conditions (5–7 g L -1 NaOH, 10 wt% solids loadings) and at low to mild temperatures (4–70°C) selected to attenuate individual component extraction rates under differential kinetic regimes. The underlying transport model is based on microstructural characteristics of corn stover derived from statistically meaningful geometric particle and pore measurements. These physical descriptors are incorporated into distinct particle models of the three major anatomical fractions (cobs, husks and stalks) alongside an unsorted, aggregate corn stover particle, capturing average Feret lengths of 917–1239 μm and length-to-width aspect ratios of 1.8–2.9 for this highly heterogeneous feedstock. Individual reaction–diffusion models and their resulting particle model ensembles are used to validate and predict anatomically-specific and bulk feedstock performance under kinetic-controlled vs. diffusion-controlled regimes. In general, deacetylation kinetics and mass transfer processes are predicted to compete on similar time and length scales, emphasizing the significance of intraparticle transport phenomena. Critically, we predict that typical corn stover particles as small as ~2.3 mm in length are entirely diffusion-limited for acetate extraction, with experimental effectiveness factors calculated to be 0.50 for such processes. Debilitatingly low effectiveness factors of 0.021–0.054 are uncovered for cobs—implying that intraparticle mass transfer resistances may impair observable kinetic measurements of this anatomical fraction by up to 98%. These first-reported quantitative maps of reaction vs. diffusion control link fundamental insights into corn stover anatomy, biopolymer composition, practical size reduction thresholds and their kinetic consequences. These results offer a guidepost for industrial deacetylation reactor design, scale-up and feedstock selection, further establishing deacetylation as a viable biorefinery pretreatment for the conversion of lignocellulosics into value-added fuels and chemicals.

09 BIOMASS FUELS↗
NASA NTRSDate not supplied

Assessment of Long-term Trends in the Collection 4 Total Ozone Record from the Ozone Monitoring Instrument

Long-term changes in total ozone affect the amount of harmful UV radiation reaching Earth’s surface and reflect progress made towards recovery of stratospheric ozone. Satellite total ozone data are also used to estimate long-term trends in tropospheric ozone, a reactive and potent greenhouse gas, by subtracting the stratospheric column timeseries from that of total ozone. For these scientific applications, the long-term stability should be better than 1%. Left unchecked, instrument calibration drift can produce a trend of this magnitude or greater. NASA has produced nearly twenty years of total ozone data from the Ozone Monitoring Instrument (OMI) using the Total Ozone Mapping Spectrometer (TOMS) algorithm. The drift in the OMI instrument as monitored by ice radiance calibration has been relatively slow, but it has reached a level of ~3% over the mission lifetime. This drift was corrected in the recently released Collection 4 OMI calibrated radiances, updating the Collection 3 calibration released in 2006. We have reprocessed the OMI total ozone record using the Collection 4 calibration and updates to the TOMS algorithm. We summarize these changes and evaluate their impact by comparing to the previous Collection 3 OMI dataset, the Suomi NPP Ozone Mapping and Profiler Suite Nadir Mapper (OMPS-NM) and Solar Backscatter UV (SBUV) Merged Ozone Dataset (MOD) total ozone records and other independent satellite total ozone datasets. Climatological radiance residuals from OMI and OMPS-NM are calculated and compared to investigate differences in spectral calibration that can cause drifts in long-term total ozone trends. We also analyze the tropospheric ozone record produced using the Collection 4 OMI total ozone and stratospheric column ozone from MLS. Collection 3 OMI data processed with the TOMS algorithm show a positive drift relative to other satellite and ground-based data of 1-2 DU per decade. Initial results show that this drift is reduced in Collection 4 OMI, due to the updated OMI calibration. In this work we will quantify the improvements in Collection 4 OMI relative to independent data sources at both the ozone and radiance level

Collection 4 OMI Total Ozone↗
DOE OSTI2020

A study of shock initiation experiments for the explosive PBX 9502 using three reactive burn models

Shock to detonation transition (SDT) experiments are essential in calibrating and validating reactive burn models for explosives. This work investigates the large collection of SDT test data for the explosive PBX 9502 at ambient temperature that was presented by Gustavsen, Sheffield, and Alcon [Journal of Applied Physics, 99, 114907 (2006)]. We first analyze the experimental data and compare two different methods of determining the shock transition time/distance (namely, the bilinear method and the single-curve method). This reveals some of the uncertainty in estimating shock transition points, which contributes to scatter in Pop-plot data. Next, we compare the WSD, AWSD, and SURFplus reactive burn models for a collection of approximately 20 experimental shots using the FLAG hydrocode. Error estimates are used to quantify how well each reactive burn model (and their respective parameter calibrations) performs at predicting the SDT process for a range of loading conditions. Additionally, the importance of mesh resolution and numerical dissipation in SDT simulations will be assessed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Coupled geomechanical investigation of depletion-induced fault reactivation

Fault reactivation during subsurface fluid production pose significant challenges to safe and sustainable resource extraction. Here, this study presents a three-dimensional coupled geomechanical framework to investigate the processes driving fault reactivation, capturing the interactions between reservoir dynamics and geomechanical responses. Verification against theoretical estimations based on linear poroelasticity confirms the model's capacity in representing reservoir background stress responses. However, the study reveals that relying solely on background stress states can underestimate or overestimate fault reactivation potential, emphasizing the importance of including localized stress perturbations such as differential compaction and stress redistribution. Applied to a fault (M1) inspired by the geological characteristics of the Groningen field, the model shows slip initiation at 2965 m depth with 16.0 MPa depletion, aligning with field observations where seismicity occurred at approximately 3 km depth after 15.8 MPa depletion. Parametric studies reveal: (1) inelastic reservoir compaction delays fault reactivation and mitigates fault slip by reducing stress concentration, (2) higher intermediate in-situ stress magnitudes decrease the Coulomb Failure Stress (CFS) increase rate and reduce fault slip, (3) larger fault offsets amplify shear stress near the offset zone, promoting earlier reactivation and longer rupture propagation, and (4) fault permeability significantly influences pressure diffusion, with low-permeability faults leading to sharper stress changes and earlier fault destabilization. These insights highlight the critical role of geological and mechanical parameters in fault reactivation and provide a predictive framework for mitigating induced seismicity risks.

Coupled geomechanical modeling↗
DOE OSTI2022

Inverter Reliability Estimation for Advanced Inverter Functionality

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 modes, which will produce new stresses on the grid-interfacing power electronics components, such as DC/AC inverters. In previous work, multiple DER devices were instrumented to evaluate additional component stress under multiple reactive power setpoints. We utilize quasi-static time-series simulations to determine voltage-reactive power mode (volt-var) mission profile of inverters in an active power system. Mission profiles and loss estimates are then combined to estimate the reduction of the useful life of inverters from different reactive power profiles. It was found that the average lifetime reduction was approximately 0.15% for an inverter between standard unity power factor operation and the IEEE 1547 default volt-var curve based on thermal damage due to switching in the power transistors. For an inverter with an expected 20-year lifetime, the 1547 volt-var curve would reduce the expected life of the device by 12 days. This framework for determining an inverter's useful life from experimental and modeling data can be applied to any failure mechanism and advanced inverter operation.

component degradation↗
NASA NTRS2002

Rationalizing Burned Carbon with Carbon Monoxide Exported from South America

We present several estimates cross-checking the fluxes of carbon to the atmosphere from burning, comparing models that are based on simple land-surface parameterizations and atmospheric transport dynamics. Both estimates made by NASA Ames and USP modeling techniques are quite high compared to some detailed satellite/land-use studies of emissions. The flux of carbon liberated to the atmosphere via biomass burning is important for several reasons. This flux is a fundamental statistic for the parameterization of the large-scale flux of gases controlling the reactive greenhouse gases methane and ozone. Similarly, it is central to the estimation of the translocation of nitrogen and pyrodenitrification in the tropics. Thirdly, CO2 emitted from rainforest clearing contributes directly to carbon lost from the rainforest system as it contributes to greenhouse gas forcing. While CO2 from pasturage, agriculture, etc, is considered to be reabsorbed seasonally, and so "off budget" for the carbon cycle, it must also be accounted. CO2 anomalies related to daily weather and interannual climatic variation are strong enough to perturb our scientific perception of long-term carbon storage trends. We compare fluxes deduced from land-use statistics (originally, W.M. Hao) and from satellite hot pixels (A. Setzer) with atmospheric fluxes determined by the mesoscale/continental scale models RAMS and MM5, and point to some new work with highly resolved global models (the NASA Data Assimilation Office's GEOS4). Our simulations are tied to events, so that measured tracers like CO tie the models directly to the burning and meteorology of a specific period. We point out a particular sensitivity in estimates based on CO, and indicate how analysis of CO2 along with other biomass-burning tracers may lead to an improved multi-species estimator of carbon burned.

Chatfield, R.↗
NASA NTRSDate not supplied

Dependence of Lightning Cloud-Top Optical Emissions on Channel Characteristics Using Boltzmann Radiative Transfer Modeling

With an estimated global flash rate of 46 lightning per second, a significant amount of lightning nitrogen oxides (LNOx) are produced within the climate system. In turn, LNOx affect the concentrations of ozone (O 3 , an important greenhouse gas) as well as the very reactive hydroxyl radicals (OH, that affect all greenhouse gases). Thus, space-based estimation of LNOx is highly sought [Koshak 2017; Koshak et al. (2015)]. Total lightning channel length, L , is a proxy for the total flash energy (and hence LNOx production). Geostationary lightning mappers provide cloud-top 2D views of the diffuse (i.e., blurry) optical images of lightning, thereby making it difficult to determine L (and other channel features). Transient Boltzmann radiative transfer modeling is applied here to investigate the dependence of the spatio-temporal pattern of cloud-top lightning optical emissions on L and other channel characteristics (e.g., orientation, propagation direction, amplitude, location, ...).

William J Koshak↗
DOE OSTI2026

Hyporheic‐Zone Processes and Stream Oxygen Dynamics: Insights From a Multiscale Reactive Transport Model

Aquatic ecosystem metabolism encapsulates the daily fixation (gross primary production, GPP d ) and mineralization (ecosystem respiration, ER d ) of organic carbon. In fluvial systems, these are commonly estimated by inverse solutions to field observations using a model that describes oxygen concentrations varying in the water column in response to metabolic fluxes and air‐water gas exchange controlled by a rate coefficient (K 600 ). The most common conceptual model is the single‐station metabolism (SSM) model. The simplicity and flexibility of this conceptualization make it attractive; however, it implicitly assumes that all the processes that consume oxygen in fluvial systems can be lumped into a bulk estimate of respiration with poorly understood consequences for estimates of GPP d , ER d , and K 600 . Here, we focus on the implications of using SSM conceptualization when estimating metabolic fluxes from oxygen dynamics in channels where hyporheic exchange occurs. We use a new multiscale numerical model for reactive transport in streams that represents hyporheic exchange and streambed heterotrophic respiration. Nondimensionalization of this model reveals dimensionless groups that collectively control oxygen dynamics. Numerical experiments offer a mechanistic understanding of the impacts of hyporheic exchange on diel oxygen dynamics revealing that potential biases arise from neglecting mass transfer limitations. Specifically, we found that hyporheic exchange significantly affects diel oxygen dynamics, even for nonreactive streambed sediments. Moreover, while the SSM performs well in many situations, we find conditions where significant bias is produced by hyporheic exchange, even when oxygen data are well‐fitted. These situations pose a major challenge in the interpretation of metabolism assessment estimates.

Gomez‐Velez, Jesus D. [Oak Ridge National Laborato↗
NASA NTRS1973

System statistical reliability model and analysis

A digital computer code was developed to simulate the time-dependent behavior of the 5-kwe reactor thermoelectric system. The code was used to determine lifetime sensitivity coefficients for a number of system design parameters, such as thermoelectric module efficiency and degradation rate, radiator absorptivity and emissivity, fuel element barrier defect constant, beginning-of-life reactivity, etc. A probability distribution (mean and standard deviation) was estimated for each of these design parameters. Then, error analysis was used to obtain a probability distribution for the system lifetime (mean = 7.7 years, standard deviation = 1.1 years). From this, the probability that the system will achieve the design goal of 5 years lifetime is 0.993. This value represents an estimate of the degradation reliability of the system.

Lekach, V. S.↗
NASA NTRS1998

Ozone Depletion at Mid-Latitudes: Coupling of Volcanic Aerosols and Temperature Variability to Anthropogenic Chlorine

Satellite observations of total ozone at 40-60 deg N are presented from a variety of instruments over the time period 1979-1997. These reveal record low values in 1992-3 (after Pinatubo) followed by partial but incomplete recovery. The largest post-Pinatubo reductions and longer-term trends occur in spring, providing a critical test for chemical theories of ozone depletion. The observations are shown to be consistent with current understanding of the chemistry of ozone depletion when changes in reactive chlorine and stratospheric aerosol abundances are considered along with estimates of wave-driven fluctuations in stratospheric temperatures derived from global temperature analyses. Temperature fluctuations are shown to make significant contributions to model calculated northern mid-latitude ozone depletion due to heterogeneous chlorine activation on liquid sulfate aerosols at temperatures near 200-210 K (depending upon water vapor pressure), particularly after major volcanic eruptions. Future mid-latitude ozone recovery will hence depend not only on chlorine recovery but also on temperature trends and/or variability, volcanic activity, and any trends in stratospheric sulfate aerosol.

Solomon, S.↗
DOE OSTI2020

A control-oriented combustion model framework for compression ignition engines operating on low-reactivity fuel

This work focuses on zero-dimensional modeling of the heat release rate in a compression ignition engine operating on gasoline-like fuels. Due to the properties of gasoline, such as high volatility and longer ignition delay than diesel, the injection strategies can vary significantly from the operation with conventional diesel fuel. Different injection strategies are commonly used to achieve varying degrees of in-cylinder stratification in order to shape the combustion event and maximize efficiency. The proposed zero-dimensional combustion model was developed to account for the different stages in combustion caused by the fuel stratification. As the ignition delay model is an integral part of the entire combustion process and significantly affects the prediction accuracy, special attention has been paid to local phenomena influencing ignition delay. A one-dimensional spray model by Musculus and Kattke was employed in conjunction with a Lagrangian tracking approach in order to estimate the local air–fuel ratio within the spray tip, as a proxy for reactivity. The local air–fuel ratio, in-cylinder temperature and pressure were used in an integral fashion to estimate the ignition delay. Heat release rates were modeled using first-order non-linear differential equations. The proposed combustion model was validated against experimental data of a heavy-duty compression ignition engine with up to three injection events at mostly 1038 r/min and 14 bar brake mean effective pressure. Further validation of the model was carried out at other engine loads and speeds. Model prediction errors in CA50 of less than 1 °CA across all conditions were found. Modeling results of other combustion metrics such as combustion duration and indicated mean effective pressure are also highly satisfactory. In addition, the model has been shown to be capable of estimating the ringing intensity for most conditions.

Pamminger, Michael↗
DOE OSTI2020

Current Observer Based Predictive Decoupled Power Control Grid-Interactive Inverter

This paper presents a sensor-less current model predictive control (MPC) scheme via a full state observer based current estimator. The grid interactive inverters’ control schemes require current and voltage sensors. Elimination of current sensor enhances the inverter reliability. This paper leverages the inherent characteristics of MPC towards robust current sensor-less grid interactive inverter with LC filter. The observer for inductor current is developed based on the existing capacitor voltage measurement. The estimator dynamic state-space matrices are then obtained through reconstruction of the inverter model with the capacitor voltage and inductor current being the state variables. The controller objectives are to regulate active and reactive power in a decoupled manner. The theoretical expectation, controller performance, and accuracy of the current estimation are verified by conducting a real-time simulation via Typhoon HIL.

Zhang, Zhen↗