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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Towards Spatial Control of Reaction Selectivity on Photocatalysts using Area Selective Atomic Layer Deposition on Model Dual Site Electrocatalyst Platform

Photocatalytic water splitting is a promising route to low-cost H2; however, this approach is currently limited by solar-to-hydrogen (STH) conversion efficiencies in the sub-10% range. Z-scheme water splitting, in which H2 and O2 evolving particles are operated in separate compartments and electronically coupled by a soluble redox mediator, offers improvements in STH efficiency but introduces high rates of undesired side and back reactions. Nanoscopic oxide coatings (e.g., CrOx, and SiOx) have previously been used to selectively block undesired reactants from reaching active sites; however, a coating encapsulating the entire photocatalyst particle limits activity as the particle can no longer facilitate both half reactions. In contrast to photodeposition, which may produce non-uniform overlayers due to the difficulty of controlling local electrochemical reactivity on the surface, area-selective atomic layer deposition (AS-ALD) can be used to deposit conformal ultrathin oxide coatings while preserving access to non-growth areas of a substrate surface. To develop this technique for Z-scheme photocatalysts, we performed AS-ALD of TiO2 on a dual site planar electrocatalyst based on interdigitated arrays of Pt and Au. Self-assembled monolayers of 1-octadecanethiol (ODT) were used to block growth on the Au array, resulting in a patterned surface in which only the Pt sites were encapsulated with TiO2. These electrocatalysts demonstrated localized reaction selectivity for hydrogen evolution reaction (HER) over the TiO2/Pt sites, while the uncoated Au sites retained activity towards Fe(II)/Fe(III) redox (FeRR). Under independent potential control, these microelectrodes showed that selectively deposited TiO2 coatings can suppress the rate of back reactions on neighboring active sites by an order of magnitude compared to uncoated control samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Law, C. K.↗
NASA NTRSDate not supplied

Analysis of Oxygen Liquefaction with Transient Flow Rates for ISRU Systems

Human occupation of lunar and Martian surfaces requires in-situ resource utilization (ISRU) to create a sustainable environment with the limited resources available in space. Fuel and oxidizer generation is essential for developing a refueling capability for spacecraft, significantly reducing the propellant mass required for landing. Liquefaction systems are a key step in producing and storing cryogenic liquids such as oxygen, hydrogen, and methane. All those fluids are critical to propulsion, life support, and other spacecraft systems. NASA has previously confirmed the presence of water on the Moon and an electrolysis process can be used to separate the oxygen from the hydrogen molecules. Oxygen has also been found within lunar regolith and can be separated through ISRU processes. The extracted oxygen gas can then be liquefied inside a storage tank with tube-on-tank heat exchangers for future use as an oxidizer for propellants. While steady state liquefaction performance is easy to model, power limitations and cyclical environments caused by the change in Sun exposure between day and night periods potentially call for transient operations. The following analysis was performed using the Thermal Desktop software to investigate how various transient gaseous oxygen (GOX) flow rates impact the production and storage of liquid oxygen (LOX) in a 1-g liquefaction system. Variations of sinusoidal and exponential step functions were selected to model potential GOX flow rates that could be experienced by ISRU systems on lunar or Martian surfaces. This early computational analysis provides some insight on how transient operations impact oxygen liquefaction systems and helps illustrate operational questions to explore experimentally throughout the design process.

Cryogenic Fluid Management↗
DOE OSTI2025

Guiding Principles for Geochemical/Thermodynamic Model Development and Validation in Nuclear Waste Disposal: A Close Examination of Recent Thermodynamic Models for H + —Nd 3+ —NO 3 - (—Oxalate) Systems

Development of a defensible source-term model (STM), usually a thermodynamical model for radionuclide solubility calculations, is critical to a performance assessment (PA) of a geologic repository for nuclear waste disposal. Such a model is generally subjected to rigorous regulatory scrutiny. In this article, we highlight key guiding principles for STM model development and validation in nuclear waste management. We illustrate these principles by closely examining three recently developed thermodynamic models with the Pitzer formulism for aqueous H + —Nd 3+ —NO 3 - (—oxalate) systems in a reverse alphabetical order of the authors: the XW model developed by Xiong and Wang, the OWC model developed by Oakes et al., and the GLC model developed by Guignot et al., among which the XW model deals with trace activity coefficients for Nd(III), while the OWC and GLC models are for concentrated Nd(NO 3 ) 3 electrolyte solutions. The principles highlighted include the following: (1) Principle 1. Validation against independent experimental data: A model should be validated against experimental data or field observations that have not been used in the original model parameterization. We tested the XW model against multiple independent experimental data sets including electromotive force (EMF), solubility, water vapor, and water activity measurements. The results show that the XW model is accurate and valid for its intended use for predicting trace activity coefficients and therefore Nd solubility in repository environments. (2) Principle 2. Testing for relevant and sensitive variables: Solution pH is such a variable for an STM and easily acquirable. All three models are checked for their ability to predict pH conditions in Nd(NO 3 ) 3 electrolyte solutions. The OWC model fails to provide a reasonable estimate for solution pH conditions, thus casting serious doubt on its validity for a source-term calculation. In contrast, both the XW and GLC models predict close-to-neutral pH values, in agreement with experimental measurements. (3) Principle 3. Honoring physical constraints: Upon close examination, it is found that the Nd(III)-NO 3 association schema in the OWC model suffers from two shortcomings. Firstly, its second stepwise stability constant for Nd(NO 3 ) 2+ (log K 2 ) is much higher than the first stepwise stability constant for NdNO 3 2+ (log K 1 ), thus violating the general rule of (log K 2 –log K 1 ) < 0, or $\frac{K1}{K2}$>1. Secondly, the OWC model predicts abnormally high activity coefficients for Nd(NO 3 ) 2 + (up to ~900) as the concentration increases. (4) Principle 4. Minimizing degrees of freedom for model fitting: The OWC model with nine fitted parameters is compared with the GLC model with five fitted parameters, as both models apply to the concentrated region for Nd(NO 3 ) 3 electrolyte solutions. The latter appears superior to the former because the latter can fit osmotic coefficient data equally well with fewer model parameters. The work presented here thus illustrates the salient points of geochemical model development, selection, and validation in nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2001

Icehouse Effect: A Selective Arctic Cooling Trend Current Models are Missing

The icehouse effect is a hypothesized climate feedback mechanism which could result in human-caused surface cooling trends in polar regions. Once understood in detail, it becomes apparent that these trends, which are discernable in the literature, but have been largely dismissed, do not conflict with the consensus assessment of the evidence, which infers century-scale Arctic warming. In fact, confirmation of the hypothesis would substantially strengthen the argument that there is a detectable human influence on today's climate. This apparent enigma is resolved only through careful attention to the detail of the hypothesis and the data supporting it. The posited surface cooling is entirely dependent on the existence of climate warming in layers capping the stable boundary layer. Also, the cooling is not pandemic, but is selective. It is readily revealed in properly sorted data by making use of the principles of micrometeorological similarity. Specifically, the cooling is manifest under a range of favorable turbulence conditions which can develop and disappear locally on time scales of minutes to hours because of the intrinsically intermittent nature of stable boundary layer turbulence. Because of the fine-scale nature of the processes which produce the cooling, modeling it is a difficult proposition. Vertical resolution on the order of 1 meter is required. Adequate models of intermittent surface fluxes coupled with radiation exchange do not currently exist, not as parameterizations for aggregated systems, nor in large eddy simulation (LES) models. This presentation will introduce the theory. An important testable null hypothesis emerges: the icehouse effect produces a unique signature or "fingerprint" which could not be produced by any other known process. The presence of this signature will be demonstrated using nearly all available Arctic temperature observations. Its aggregate effect is clearly found in Arctic monthly surface temperature trends when sorted by climatological stability. Using all available Arctic rawinsonde ascents - about 1.1 million profiles, "frozen moments" of the icehouse processes are captured in various states. Because turbulent time scales are so short in the stable boundary layer. each of these snapshots can be treated as independent -- their chronology is irrelevant. Micrometeorological similarity is invoked to reassemble the soundings into bins of similar stability and it is in a wide, coherent range of these stability bins where the cooling effect is revealed.

Wetzel, Peter J.↗
NASA NTRS1999

Selecting Meteorological Input for the Global Modeling Initiative Assessments

The Global Modeling Initiative (GMI) science team has developed a three dimensional chemistry and transport model (CTM) to evaluate the impact of the exhaust of supersonic aircraft on the stratosphere. An important goal of the GMI is to test modules for numerical transport, photochemical integration, and model dynamics within a common framework. This work is focussed on the dependence of the overall assessment on the wind and temperature fields used by the CTM. Three meteorological data sets for the stratosphere were available to GMI: the National Center for Atmospheric Research Community Climate Model (CCM2), the Goddard Earth Observing System Data Assimilation System (GEOS-DAS), and the Goddard Institute for Space Studies general circulation model (GISS-2'). Objective criteria were established by the GMI team to evaluate which of these three data sets provided the best representation of trace gases in the stratosphere today. Tracer experiments were devised to test various aspects of model transport. Stratospheric measurements of long-lived trace gases were selected as a test of the CTM transport. This presentation describes the criteria used in grading the meteorological fields and the resulting choice of wind fields to be used in the GMI assessment. This type of objective model evaluation will lead to a higher level of confidence in these assessments. We suggest that the diagnostic tests shown here be used to augment traditional general circulation model evaluation methods.

Strahan, Susan↗
NASA NTRS1993

Objective determination of image end-members in spectral mixture analysis

Spectral mixture analysis was shown to be a powerful, multifaceted tool for analysis of multi- and hyper-spectral data. The essence of the first phase of the approach is to determine a set of image end-members that best account for the spectral variance in an image cube within a constrained, linear least squares mixing model. The selection of the image end-member is usually achieved using a priori knowledge and successive trial and error solutions to refine the total number and physical location of the end-members. However, in many situations a more objective method of determining these essential components is desired. The problem of image end-member determination was approached objectively by using the inherent variance of the data. Unlike purely statistical methods such as factor analysis, this approach derives solutions that conform to a physically realistic model.

Tompkins, Stefanie↗
NASA NTRS1998

Experiments to Determine Whether Recursive Partitioning (CART) or an Artificial Neural Network Overcomes Theoretical Limitations of Cox Proportional Hazards Regression

New computationally intensive tools for medical survival analyses include recursive partitioning (also called CART) and artificial neural networks. A challenge that remains is to better understand the behavior of these techniques in effort to know when they will be effective tools. Theoretically they may overcome limitations of the traditional multivariable survival technique, the Cox proportional hazards regression model. Experiments were designed to test whether the new tools would, in practice, overcome these limitations. Two datasets in which theory suggests CART and the neural network should outperform the Cox model were selected. The first was a published leukemia dataset manipulated to have a strong interaction that CART should detect. The second was a published cirrhosis dataset with pronounced nonlinear effects that a neural network should fit. Repeated sampling of 50 training and testing subsets was applied to each technique. The concordance index C was calculated as a measure of predictive accuracy by each technique on the testing dataset. In the interaction dataset, CART outperformed Cox (P less than 0.05) with a C improvement of 0.1 (95% Cl, 0.08 to 0.12). In the nonlinear dataset, the neural network outperformed the Cox model (P less than 0.05), but by a very slight amount (0.015). As predicted by theory, CART and the neural network were able to overcome limitations of the Cox model. Experiments like these are important to increase our understanding of when one of these new techniques will outperform the standard Cox model. Further research is necessary to predict which technique will do best a priori and to assess the magnitude of superiority.

Kattan, Michael W.↗
NASA NTRS2006

Effects of gamma-Radiation on Select Lipids and Antioxidants

Radiation encountered on an extended duration space mission (estimates of 3 Sieverts for a mission to Mars) poses a threat not only to human health, but also to the quality, nutritional value, and palatability of the food system. Free radicals generated by radiation interaction with foods may initiate many unwanted reactions including: 1) autoxidation in lipids that alters flavor, odor, and concentrations of essential fatty acids, and 2) depletion of antioxidants food products and dietary supplements. Studies have shown that antioxidants may provide long term health protection from oxidative stress caused by radiation exposure; therefore, consumption of antioxidants will be important. Stability of essential fatty acids is also important for astronauts long-term health status. The objectives of this study were to characterize the effects of low dose gamma-radiation on lipids and antioxidants by monitoring oxidation and reducing power, respectively, in model systems. Select oils and antioxidants were exposed to levels of gamma-radiation ranging from 0 to 1000 Gy (1 Gy = 1 Sv) using a Gammacell 220 and stored at ambient or elevated temperatures (65 C) for up to 3 months prior to analysis. A Fricke dosimeter was used to verify differences between the radiation doses administered. Primary and secondary products of lipid oxidation in soybean and peanut oils were monitored using conjugated diene and 2-thiobarbituric acid (TBARs) assays. Changes in fatty acid composition and formation and vitamin E levels were also measured. The reducing power of antioxidant compounds, including vitamins C and E and beta-carotene, was determined using the ferric reducing antioxidant power (FRAP) assay. Significant differences (alpha =0.05) were present between all radiation doses tested using the Fricke dosimeter. Increasing radiation doses above 3 Sv resulted in significantly (alpha =0.05) elevated levels of oxidation and free fatty acids in soybean and peanut oils. Decreases in concentrations of essential fatty acids upon increasing radiation doses were also observed. Increasing radiation doses caused significant (alpha =0.05) decreases in reducing power and hence the effectiveness of vitamins C and E as well as beta-carotene. This work establishes a need for quantifying the effects of space relevant radiation doses in the development of a food system for an extended duration mission and for identifying threshold radiation levels that will impact the useful shelf-life of the variety of foods that will be sent. Eventual rancidity of lipids and the loss of antioxidant bioprotective effects are major concerns for the acceptability and nutritional profile of a food system.

Gandolph, Jacob↗
NASA NTRS2012

Global Network of Slow Solar Wind

The streamer belt region surrounding the heliospheric current sheet (HCS) is generally treated as the primary or sole source of the slow solar wind. Synoptic maps of solar wind speed predicted by the Wang-Sheeley-Arge model during selected periods of solar cycle 23, however, show many areas of slow wind displaced from the streamer belt. These areas commonly have the form of an arc that is connected to the streamer belt at both ends. The arcs mark the boundaries between fields emanating from different coronal holes of the same polarity and thus trace the paths of belts of pseudostreamers, i.e., unipolar streamers that form over double arcades and lack current sheets. The arc pattern is consistent with the predicted topological mapping of the narrow open corridor or singular separator line that must connect the holes and, thus, consistent with the separatrix-web model of the slow solar wind. Near solar maximum, pseudostreamer belts stray far from the HCS-associated streamer belt and, together with it, form a global-wide web of slow wind. Recognition of pseudostreamer belts as prominent sources of slow wind provides a new template for understanding solar wind stream structure, especially near solar maximum.

solar wind↗
NASA NTRS2007

Near Earth Object (NEO) Mitigation Options Using Exploration Technologies

This work documents the advancements in MSFC threat modeling and mitigation technology research completed since our last major publication in this field. Most of the work enclosed here are refinements of our work documented in NASA TP-2004-213089. Very long development times from start of funding (10-20 years) can be expected for any mitigation system which suggests that delaying consideration of mitigation technologies could leave the Earth in an unprotected state for a significant period of time. Fortunately there is the potential for strong synergy between architecture requirements for some threat mitigators and crewed deep space exploration. Thus planetary defense has the potential to be integrated into the current U.S. space exploration effort. The number of possible options available for protection against the NEO threat was too numerous for them to all be addressed within the study; instead, a representative selection were modeled and evaluated. A summary of the major lessons learned during this study is presented, as are recommendations for future work.

Arnold William↗
DOE OSTI2026

Local Chain Dynamics in Sequence-Controlled Polymers as a Tunable Handle for Rare Earth Sequestration

Chain dynamics govern the intricate behaviors of proteins, underpinning functions such as catalysis, recognition, and stimulus response, and are an increasingly appreciated aspect of structure–function relationships. Analogously, manipulating chain dynamics and structure in abiotic polymers via sequence control is an exciting, yet underexplored, strategy for improving material functions. In this work, we report a systematic study relating the sequence of polymeric sequestrants to their structure and dynamics, as well as to their binding affinity and selectivity for model substrates, rare earth elements (REEs). A series of sequence-controlled polymers with metal chelating, solubilizing, and structure forming monomers was synthesized via multiblock polymerization, yielding compositionally identical polymers with spectroscopically resolved domains and distinct morphologies. Using a combination of small-angle X-ray scattering and 19 F NMR relaxometry measurements, we connected differences in polymer structure and dynamics to polymer sequence variables such as the patchiness (density) of the structure forming monomer and the location of the chelating monomer. Furthermore, we found that, relative to calcium, all polymers in the series collapse more and have slower dynamics when binding REEs (lanthanum and lutetium) , though the extent of these effects were sequence-dependent and localized to specific domains within the polymer. Notably, sequence-controlled polymers that exhibited the largest conformational and dynamic changes upon binding REEs also bound REEs with the greatest affinity and modest selectivity. Collectively, these results correlate monomer patterning with dynamics, morphology, and REE binding performance en route to the development of efficient and selective macromolecular chelators.

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

Search for Long-Lived Particles with Muon Detector Shower Signature in the CMS Run-3 data

Many beyond standard model theories predict the existence of long-lived particles (LLPs). These LLPs can have sizable lifetimes and decay several meters from their production vertex. In this poster/talk, we present the analysis strategy for searching for LLPs using the Compact Muon Solenoid (CMS) Experiment. The proton-proton collision data used in this analysis were collected from 2022 to 2024 at a center-of-mass energy of 13.6 TeV, corresponding to an integrated luminosity of 170 fb^-1. The LLP decays are reconstructed as a high-multiplicity cluster of detector hits in the cathode strip chambers (CSC) of the muon system endcap. This signature is referred to as the Muon Detector Showers (MDS). This search requires events to contain at least one MDS cluster. The analysis focuses on LLP hadronic decays and LLP masses up to a few tens of GeV. We present the signal properties in MonteCarlo simulation, event selection, background modeling, and evaluation of the expected sensitivity. The results are interpreted under the Twin Higgs model benchmark.

Agyemang-Duah, Andrews [Grambling State U.]↗
NASA NTRS1989

Image-based terrain modeling with thematic mapper applied to resolving the limit of Holocene Lake expansion in the Great Salt Lake Desert, Utah, part 1

The LANDSAT Thematic Mapper (TM) scanner records reflected solar energy from the earth's surface in six wavelength regions, or bands, and one band that records emitted energy in the thermal region, giving a total of seven bands. Useful research was extracted about terrain morphometry from remote sensing measurements and this information is used in an image-based terrain model for selected coastal geomorphic features in the Great Salt Lake Desert (GSLD). Technical developments include the incorporation of Aerial Profiling of Terrain System (APTS) data in satellite image analysis, and the production and use of 3-D surface plots of TM reflectance data. Also included in the technical developments is the analysis of the ground control point spatial distribution and its affects on geometric correction, and the terrain mapping procedure; using satellite data in a way that eliminates the need to degrade the data by resampling. The most common approach for terrain mapping with multispectral scanner data includes the techniques of pattern recognition and image classification, as opposed to direct measurement of radiance for identification of terrain features. The research approach in this investigation was based on an understanding of the characteristics of reflected light resulting from the variations in moisture and geometry related to terrain as described by the physical laws of radiative transfer. The image-based terrain model provides quantitative information about the terrain morphometry based on the physical relationship between TM data, the physical character of the GSLD, and the APTS measurements.

Merola, John A.↗
NASA NTRSDate not supplied

Evaluation of Spectral Band Adjustment Factors for Cross-Calibration of Visible Imagers

The CERES EBAF dataset provides TOA SW and LW fluxes for long-term monitoring of the Earth’s energy balance and to validate climate models. The EBAF products, based on the Terra and Aqua CERES instrument observed radiances, rely on coincident measurements from the onboard MODIS imagers to determine cloud properties that are used in the angular distribution model scene selection required to convert the CERES observed radiances into flux values. Once the Terra and Aqua orbits start drifting outside of their 15-minute window, the CERES project will rely solely on the NOAA-20 CERES observations. A seamless transition of fluxes and clouds can only occur if the analogous MODIS and VIIRS channels are properly inter-calibrated. The visible band (0.65 µm) in MODIS (band 1) and VIIRS (M5 or I1) is critical for retrieving the cloud mask and optical depth. The spectral response functions (SRF) of these bands differ noticeably and will require scene dependent spectral band adjustment factors (SBAF) for proper radiometric scaling between them. Fortunately, the VIIRS I1 and M5 bands are calibrated using the same solar diffuser as a reference, which implies that band reflectance differences must be due to the spectral disparity. The coincident I1 and M5 TOA reflectance measurements provide the optimal opportunity to validate SBAFs over many surface and cloud conditions. The CERES project maintains SCIAMACHY, GOME-2, Hyperion, and radiative transfer model-based scene-stratified hyper-spectral reflectance measurements that can be convolved with sensor pair SRFs to compute the corresponding SBAF. This study will evaluate the SCIAMACHY, GOME-2, Hyperion, and RTM based SBAFs over tropical ocean targets used in SNO inter-calibration of MODIS and VIIRS, including clear-sky ocean, deep convective clouds (DCC), and liquid cloud targets in terms of their applicability to absolute intercomparison of visible imagers. The large SCIAMACHY and GOME-2 footprints and the lack of Hyperion cloudy scenes will impact the resulting SBAFs and necessitates the need for future CLARREO hyper-spectral reflectances to decrease SBAF uncertainties Preliminary results indicate that the SCIAMACHY and GOME-2 based SBAFs for the VIIRS I1 and M5 band pairs may differ by 1.5% for some ATO scene types. Because most of the modern GEOs visible band SRFs encompass the VIIRS I1 band SRF, these evaluations are critical to ensure that the MODIS, VIIRS, and GEO clouds and fluxes are consistent. SBAFs for Libya-4, Dome-C and other Earth invariant target will also be evaluated.

D. R. Doelling↗
DOE OSTI2026

Correlating binding energies of adsorbed CO and H on model surfaces with CO/H 2 selectivity from co-electrolysis of CO 2 and H 2 O over copper–palladium bimetallic catalysts

Binding energies of adsorbed CO and H are key descriptors governing the activity and selectivity of the co-electrolysis of CO 2 and H 2 O to produce syngas with desired CO/H 2 ratios. Palladium hydride (PdH), which forms in situ at negative overpotentials, has been identified as the active Pd phase for CO 2 reduction to syngas. Herein, binding energies of CO and H are determined using temperature programmed desorption (TPD) of CO and H 2 from Pd(111), PdH/Pd(111), and Cu/PdH/Pd(111) under ultra-high vacuum (UHV) conditions. TPD results reveal that desorption of H 2 from subsurface PdH occurs at 460 K, while desorption from surface PdH is more facile at 320 K. CO desorption temperatures shift 20 K lower on PdH/Pd(111) compared to on Pd(111). The presence of 0.7 ML Cu further increases the desorption temperature of H 2 by 30 K while simultaneously reducing CO desorption temperatures by 70 K. Density functional theory (DFT) calculations show that CO adsorption onto Pd sites is hindered on the 0.7 ML Cu/PdH/Pd(111) surface while the kinetic barrier for H 2 desorption is increased. The trends in the binding energies of CO and H on model surfaces are consistent with electrochemical measurements of CuPd powder catalysts in a membrane electrode assembly (MEA), where H 2 evolution is reduced while CO production is enhanced compared to unmodified Pd catalysts. Overall, the results from model surface studies (TPD and DFT) provide a prediction and explanation for the activity and CO/H 2 ratios observed in electrochemical experiments. This study also demonstrates that CuPd is a promising catalyst with reduced Pd-loading to produce CO-rich syngas.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Generic and Multifunctional Electromagnetic Transient Model for Grid-Following Inverters

This paper presents a generic and multifunctional electromagnetic transient (EMT) dynamic model of grid-following (GFL) inverter-based resources (IBRs) using the PSCAD software platform. The features of the model include flexibility in selecting various types and combinations of DC sources covering photovoltaic modules, battery modules, and ideal DC-source modules as well as flexibility in selecting either switching or averaged models of the inverter. This model also covers exhaustive lists of controller algorithm, including open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control, and conventional current control designed in the dq-domain, the ..alpha....beta.. -domain, and the positive-/negative-sequence domain. Moreover, this model is equipped with flexibility in selecting various types of current-limiting schemes, including saturation-based and latching-based current limiters, and anti-windup protection. Also, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by complying with IEEE Std. 2800. The generality in the power circuits and the multifunctional options in the operation and control of the developed EMT model make it suitable for both academia and industry to study various power system aspects, including, but not limited to, the fault behavior of GFL IBRs, the impacts on the protection system, and the transient stability of a system interfaced with large numbers of GFL IBRs.

integrated circuit modeling↗
DOE OSTI2026

Identifying Differential Equations in Fourier Domain (FourierIdent)

We investigate identifying differential equations in the frequency domain. Fourier analysis is an important tool in theoretical analysis and numerical solvers of differential equations, yet there is limited work in exploring this connection in the identification of differential equations. This paper aims to identify the underlying differential equation in the frequency domain, from a given single realization of the differential equation perturbed by noise. Such setting imposes difficulties which are different from other identification methods where computation is carried out in the physical domain. We propose several ways to mitigate the challenges arising from noise in data and large differences in the magnitudes of frequency responses. The main takeaways are that identifying differential equations solely in the frequency domain is challenging, the method we propose is based on a form of domain partitions in the frequency domain, and this method shows benefits for complex data even with high level of noise. We introduce a Fourier feature denoising, and define the meaningful data region and the core regions of features to reduce the effect of noise in the frequency domain and to enhance the accuracy in coefficient identification. The proposed method is tested on various differential equations with linear, nonlinear, and high-order derivative feature terms, and shows advantages on complex data with many frequency modes, even under high level of noise.

97 MATHEMATICS AND COMPUTING↗