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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Na Promotion of Pt/m-ZrO 2 Catalysts for the Steam Reforming of Formaldehyde

The decomposition selectivity of formaldehyde during steam reforming was explored using unpromoted and sodium promoted Pt/m-ZrO 2 catalysts, and the Na content was varied (0.5%Na, 1%Na, 1.8%Na, 2.5%Na, and 5%Na). In situ DRIFTS experiments during temperature programmed reaction in flowing H 2 O revealed that formaldehyde is adsorbed at reduced defect sites on zirconia, where it is converted to formate species through the addition of labile bridging OH species. Formate species achieve a maximum intensity in the range of 125–175 °C, where only slight changes in intensity are observed. Above this temperature, the formate decomposition reactivity strongly depends on the Na loading, with the optimum loadings being 1.8%Na and 2.5%Na. CO 2 temperature programmed desorption results, as well as a greater splitting observed between the formate ν asym (OCO) and ν sym (OCO) bands in infrared spectroscopy, indicate greater basicity is induced by the presence of Na. This strengthens the interaction between the formate -CO 2 functional group and the catalyst surface, weakening the formate C-H bond. A shift in the ν(CH) band of formate to lower wavenumbers was observed by addition of Na, especially at 1.8%Na and higher loadings. This results in enhanced decarboxylation and dehydrogenation of formate, as observed in in situ DRIFTS, temperature-programmed reaction/mass spectrometry experiments of the steam reforming of formaldehyde, and fixed bed reaction tests. For example, 2.5%Na addition of 2.5% increased the CO 2 selectivity from 83.5% to 99.5% and the catalysts achieved higher stable conversion at lower temperature than NiO catalysts reported in the open literature. At 5%Na loading, Pt sites were severely blocked, hindering H-transfer.

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

Adapting Grid Criticality for Data Centers

This presentation explores the evolving definition of “critical load” in the electric grid, emphasizing the growing importance of digital infrastructure—particularly data centers—in grid resilience, restoration, and modernization. As utilities increasingly rely on AI-driven analytics and software-defined control systems, data centers have shifted from passive electricity consumers to essential computational hubs that enable National Critical Functions (NCFs) and support real-time grid operations. The deck examines the scale and impact of digital loads, the need for grid modernization to manage rapid load growth, and the diverse computing paradigms required for AI deployment. It introduces a tiered taxonomy for classifying critical loads, highlights operational dependencies between the grid and digital infrastructure, and discusses policy implications for integrating data centers into emergency planning and restoration protocols. Through case studies and practical frameworks, the presentation provides actionable insights for utilities, regulators, and planners navigating the digital transformation of the power sector.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗
DOE OSTI2024

Precision Loading and Delivery of Molecular Cargo by Size-Controlled Coacervation of Gold Nanoparticles Functionalized with Elastin-like Peptides

Thermoresponsive elastin-like peptides (ELPs) have been extensively investigated in biotechnology and medicine, but little attention has been paid to the process by which coacervation causes ELP-decorated particles to aggregate. Here, using gold nanoparticles (AuNPs) functionalized with a cysteine-terminated 96-repeat of the VPGVG sequence (V96-Cys), we show that the size of the clusters that reversibly form above the ELP transition temperature can be finely controlled in the 250 to 930 nm range by specifying the concentration of free V96-Cys in solution and using AuNPs of different sizes. We further find that the localized surface plasmon resonance peak of the embedded AuNPs progressively red-shifts with cluster size, likely due to an increase in particle–particle contacts. We exploit this fine control over size to homogeneously load precise amounts of the dye Nile Red and the antibiotic Tetracycline into clusters of different hydrodynamic diameters and deliver cargos near-quantitatively by deconstructing the aggregates below the ELP transition temperature. Beyond establishing a key role for free ELPs in the agglomeration of ELP-functionalized particles, our results provide a path for the thermally controlled delivery of precise quantities of molecular cargo. This capability might prove useful in combination photothermal therapies and theranostic applications, and to trigger spatially and temporally uniform responses from biological, electronic, or optical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Controlling reactivity of nanoporous catalyst materials by tuning reaction product-pore interior interactions: Statistical mechanical modeling

Statistical mechanical modeling is performed of a catalytic conversion reaction within a functionalized nanoporous material to assess the effect of varying the reaction product-pore interior interaction from attractive to repulsive. A strong enhancement in reactivity is observed not just due to the shift in reaction equilibrium towards completion but also due to enhanced transport within the pore resulting from reduced loading. The latter effect is strongest for highly restricted transport (single-file diffusion), and applies even for irreversible reactions. The analysis is performed utilizing a generalized hydrodynamic formulation of the reaction-diffusion equations which can reliably capture the complex interplay between reaction and restricted transport.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ground Source Geothermal District Heating and Cooling System

Ball State University converted its campus from a coal-fired steam boiler district heating system to a ground source heat pump geothermal district system that produces simultaneously hot water for heating and chilled water for cooling. This system will include the installation of 3,600 four hundred feet deep vertical closed loop boreholes making it the largest ground source geothermal district system in the country. The boreholes will act as heat exchangers and transfer heat by virtue of the earth’s ability to maintain an average temperature of 55 degree Fahrenheit. With growing international concern for global warming and the need to reduce worldwide carbon dioxide loading of the atmosphere geothermal is poised to provide the means to help reduce carbon dioxide emissions. The shift from burning coal to utilizing ground source geothermal will increase electrical consumption but an overall decrease in energy use and reduction in carbon dioxide output will be achieved. This achievement is a result of coupling the ground source geothermal boreholes with large heat pump chiller technology. The system provides the thermodynamic means to move large amounts of energy with limited energy input. Ball State University: http://cms.bsu.edu/About/Geothermal.aspx

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Choice of Tuning Parameters on 3D IC Engine Simulations Using G-Equation

3D CFD spark-ignition IC engine simulations are extremely complex for the regular user. Truly-predictive CFD simulations for the turbulent flame combustion that solve fully coupled transport/chemistry equations may require large computational capabilities unavailable to regular CFD users. A solution is to use a simpler phenomenological model such as the G-equation that decouples transport/chemistry result. Such simulation can still provide acceptable and faster results at the expense of predictive capabilities. While the G-equation is well understood within the experienced modeling community, the goal of this paper is to document some of them for a novice or less experienced CFD user who may not be aware that phenomenological models of turbulent flame combustion usually require heavy tuning and calibration from the user to mimic experimental observations. This study used ANSYS® Forte, Version 17.2, and the built-in G-equation model, to investigate two tuning constants that influence flame propagation in 3D CFD SI engine simulations: the stretch factor coefficient, Cms and the flame development coefficient, Cm2. After identifying several Cm2-Cms pairs that matched experimental data at one operating conditions, simulation results showed that engine models that used different Cm2-Cms sets predicted similar combustion performance, when the spark timing, engine load, and engine speed were changed from the operating condition used to validate the CFD simulation. A dramatic shift was observed when engine speed was doubled, which suggested that the flame stretch coefficient, Cms, had a much larger influence at higher engine speeds compared to the flame development coefficient, Cm2. Therefore, the Cm2-Cms sets that predicted a higher turbulent flame under higher in-cylinder pressure and temperature increased the peak pressure and efficiency. This suggest that the choice of the Cm2-Cms will affect the G-equation-based simulation accuracy when engine speed increases from the one used to validate the model. As a result, for the less-experienced CFD user and in the absence of enough experimental data that would help retune the tuning parameters at various operating conditions, the purpose of a good G-equation-based 3D engine simulation is to guide and/or complement experimental investigations, not the other way around. Only a truly-predictive simulation that fully couples the turbulence/chemistry equations can help reduce the amount of experimental work.

42 ENGINEERING↗
NASA NTRS2001

Evidence for central venous pressure resetting during initial exposure to microgravity

We measured central venous pressure (CVP); plasma volume (PV); urine volume rate (UVR); renal excretion of sodium (UNa); and renal clearances of creatinine, sodium, and osmolality before and after acute volume infusion to test the hypothesis that exposure to microgravity causes resetting of the CVP operating point. Six rhesus monkeys underwent two experimental conditions in a crossover counterbalance design: 1) continuous exposure to 10 degrees head-down tilt (HDT) and 2) a control, defined as 16 h/day of 80 degrees head-up tilt and 8 h prone. After 48 h of exposure to either test condition, a 120-min course of continuous infusion of isotonic saline (0.4 ml. kg(-1). min(-1) iv) was administered. Baseline CVP was lower (P = 0.011) in HDT (2.3 +/- 0.3 mmHg) compared with the control (4.5 +/- 1.4 mmHg) condition. After 2 h of saline infusion, CVP was elevated (P = 0.002) to a similar magnitude (P = 0.485) in HDT (DeltaCVP = 2.7 +/- 0.8 mmHg) and control (DeltaCVP = 2.3 +/- 0.8 mmHg) conditions and returned to preinfusion levels 18 h postinfusion in both treatments. PV followed the same pattern as CVP. The response relationships between CVP and UVR and between CVP and UNa shifted to the left with HDT. The restoration of CVP and PV to lower preinfusion levels after volume loading in HDT compared with control supports the notion that lower CVP during HDT may reflect a new operating point about which vascular volume is regulated. These results may explain the ineffective fluid intake procedures currently employed to treat patients and astronauts.

NASA Discipline Cardiopulmonary↗
NASA NTRSDate not supplied

Analysis of Crack Propagation Transients in Accelerated Fatigue Characterization of Adhesives

The characterization of the rates of crack propagation by means of a Paris law is intended for steady-state fatigue conditions. While rates of crack propagation are primarily driven by 𝐽𝐽𝑚𝑚𝑚𝑚𝑚𝑚, in the presence of evolving process zones and fiber bridging they also depend on the crack propagation length: cracks with fully formed process zones propagate more slowly. Analyses of the rates of crack propagation in laminates secondarily bonded with AF163-2K film adhesive were conducted to identify the rate transients that occur during the formation of the process zone in the adhesive and during the evolution of bridging of the adhesive’s carrier knit across the crack faces. Dávila's CF22 cohesive fatigue damage model was used in finite element analyses of the double cantilever beam test to explain discrepancies in experimental rates of propagation obtained from tests conducted with either increasing or decreasing 𝐽max. The results indicate that the analyses accurately reproduce transient and steady-state rates of propagation observed in the experimental results, as well as the threshold of propagation. Transient rates of propagation always exceed those in steady state, which underscores the need to understand transients and account for them in fatigue characterization. The results also highlight that a Paris curve for steady-state propagation can be obtained most quickly using a decreasing load function, but that this curve consists of an unconservative bound to the rates of propagation. A lateral shift in the Paris curve is proposed for a conservative characterization that removes the effect of bridging and other R-curve effects.

fracture mechanics; delamination; J-integral↗
NASA NTRSDate not supplied

Analysis of Crack Propagation Transients in Accelerated Fatigue Characterization of Adhesives

The characterization of the rates of crack propagation by means of a Paris law is intended for steady-state fatigue conditions. While rates of crack propagation are primarily driven by 𝐽𝐽𝑚𝑚𝑚𝑚𝑚𝑚, in the presence of evolving process zones and fiber bridging they also depend on the crack propagation length: cracks with fully formed process zones propagate more slowly. Analyses of the rates of crack propagation in laminates secondarily bonded with AF163-2K film adhesive were conducted to identify the rate transients that occur during the formation of the process zone in the adhesive and during the evolution of bridging of the adhesive’s carrier knit across the crack faces. Dávila's CF22 cohesive fatigue damage model was used in finite element analyses of the double cantilever beam test to explain discrepancies in experimental rates of propagation obtained from tests conducted with either increasing or decreasing 𝐽max. The results indicate that the analyses accurately reproduce transient and steady-state rates of propagation observed in the experimental results, as well as the threshold of propagation. Transient rates of propagation always exceed those in steady state, which underscores the need to understand transients and account for them in fatigue characterization. The results also highlight that a Paris curve for steady-state propagation can be obtained most quickly using a decreasing load function, but that this curve consists of an unconservative bound to the rates of propagation. A lateral shift in the Paris curve is proposed for a conservative characterization that removes the effect of bridging and other R-curve effects.

fracture mechanics; delamination; J-integral↗
DOE OSTI2013

Real-time multi-mode neutron multiplicity counter

Embodiments are directed to a digital data acquisition method that collects data regarding nuclear fission at high rates and performs real-time preprocessing of large volumes of data into directly useable forms for use in a system that performs non-destructive assaying of nuclear material and assemblies for mass and multiplication of special nuclear material (SNM). Pulses from a multi-detector array are fed in parallel to individual inputs that are tied to individual bits in a digital word. Data is collected by loading a word at the individual bit level in parallel, to reduce the latency associated with current shift-register systems. The word is read at regular intervals, all bits simultaneously, with no manipulation. The word is passed to a number of storage locations for subsequent processing, thereby removing the front-end problem of pulse pileup. The word is used simultaneously in several internal processing schemes that assemble the data in a number of more directly useable forms. The detector includes a multi-mode counter that executes a number of different count algorithms in parallel to determine different attributes of the count data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Investigation of Silica-Supported Vanadium Oxide Catalysts by High-Field 51 V Magic-Angle Spinning NMR

Supported V2O5/SiO2 catalysts were studied using solid state 51V MAS NMR at a sample spinning rate of 36 kHz and at a magnetic field of 19.975 T for a better understanding of the coordination of the vanadium oxide as a function of environmental conditions . Structural transformations of the supported vanadium oxide species between the catalyst in the dehydrated state and hydrated state under an ambient environment were revisited to examine the degree of oligomerization and the effect of water. The experimental results indicate the existence of a single dehydrated surface vanadium oxide species that resonates at -675 ppm and two vanadium oxide species under ambient conditions that resonate at -566 and -610 ppm, respectively. No detectable structural difference was found as a function of vanadium oxide loading on SiO2 (3% V2O5/SiO2 and 8% V2O5/SiO2). Quantum chemistry simulations of the 51V NMR chemical shifts on predicted surface structures were used as an aide in understanding potential surface vanadium oxide species on the silica support. The results suggest the formation of isolated surface VO4 units for the dehydrated catalysts with the possibility of dimer and cyclic trimer presence. The absence of bridging V-O-V vibrations (~200-300 cm-1) in the Raman spectra [Gao et al. J. Phys. Chem. B 1998, 102, 10842-10852], however, indicates that the isolated surface VO4 sites are the dominant dehydrated surface vanadia species on silica. Upon exposure to water, hydrolysis of the bridging V-O-Si bonds is most likely responsible for the decreased electron shielding experienced by vanadium. No indicators for the presence of hydrated decavanadate clusters or hydrated vanadia gels previously proposed in the literature were detected in this study.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2012

Selenium Speciation and Management in Wet FGD Systems

This report discusses results from bench- and pilot-scale simulation tests conducted to determine the factors that impact selenium speciation and phase partitioning in wet FGD systems. The selenium chemistry in wet FGD systems is highly complex and not completely understood, thus extrapolation and scale-up of these results may be uncertain. Control of operating parameters and application of scrubber additives have successfully demonstrated the avoidance or decrease of selenite oxidation at the bench and pilot scale. Ongoing efforts to improve sample handling methods for selenium speciation measurements are also discussed. Bench-scale scrubber tests explored the impacts of oxidation air rate, trace metals, scrubber additives, and natural limestone on selenium speciation in synthetic and field-generated full-scale FGD liquors. The presence and concentration of redox-active chemical species as well as the oxidation air rate contribute to the oxidation-reduction potential (ORP) conditions in FGD scrubbers. Selenite oxidation to the undesirable selenate form increases with increasing ORP conditions, and decreases with decreasing ORP conditions. Solid-phase manganese [Mn(IV)] appeared to be the significant metal impacting the oxidation of selenite to selenate. Scrubber additives were tested for their ability to inhibit selenite oxidation. Although dibasic acid and other scrubber additives showed promise in early clear liquor (sodium based and without calcium solids) bench-scale tests, these additives did not show strong inhibition of selenite oxidation in tests with higher manganese concentrations and with slurries from full-scale wet FGD systems. In bench-tests with field liquors, addition of ferric chloride at a 250:1 iron-to-selenium mass ratio sorbed all incoming selenite to the solid phase, although addition of ferric salts had no impact on native selenate that already existed in the field slurry liquor sample. As ORP increases, selenite may oxidize to selenate more rapidly than it sorbs to ferric solids. Though it was not possible to demonstrate a decrease in selenium concentrations to levels below the project's target of 50 μg/L during pilot testing, some trends observed in bench-scale testing were evident at the pilot scale. Specifically, reducing oxidation air rate and ORP tends to either retain selenium as selenite in the liquor or shift selenium phase partitioning to the solid phase. Oxidation air flow rate control may be one option for managing selenium behavior in FGD scrubbers. Units that cycle load widely may find it more difficult to impact ORP conditions with oxidation air flow rate control alone. Because decreasing oxidation air rates to the reaction tank showed that all new selenium reported to the solids, the addition of ferric chloride to the pilot scrubber could not show further improvements in selenium behavior. Ferric chloride addition did shift mercury to the slurry solids, specifically to the fine particles. Several competing pathways may govern the reporting of selenium to the slurry solids: co-precipitation with gypsum into the bulk solids and sorption or co-precipitation with iron into the fine particles. Simultaneous measurement of selenium and mercury behavior suggests a holistic management strategy is best to optimize the fate of both of these elements in FGD waters. Work conducted under this project evaluated sample handling and analytical methods for selenium speciation in FGD waters. Three analytical techniques and several preservation methods were employed. Measurements of selenium speciation over time indicated that for accurate selenium speciation, it is best to conduct measurements on unpreserved, filtered samples as soon after sampling as possible. The capital and operating costs for two selenium management strategies were considered: ferric chloride addition and oxidation air flow rate control. For ferric chloride addition, as might be expected the reagent makeup costs dominate the overall costs, and range from 0.22 to 0.29 mills/kWh. For oxidation air flow rate control, a cursory comparison of capital costs and turndown capabilities for multi-stage and single-stage centrifugal blowers and several flow control methods was completed. For greenfield systems, changing the selection of blower type and flow control method may have payback periods of 4 to 5 years or more if based on energy savings alone. However, the benefits to managing redox chemistry in the scrubber could far outweigh the savings in electricity costs under some circumstances.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS2016

Characterization of the Biomechanical Behavior of the Optic Nerve Sheath

A major priority in current space medicine research is to characterize the mechanisms in Visual Impairment and Intracranial Pressure (VIIP) syndrome, a group of ophthalmic changes that occur in some astronauts following long-duration spaceflight [1]. It is hypothesized that microgravity-induced cephalad fluid shifts lead to increases in intracranial pressure (ICP), which drives maladaptive remodeling of the optic nerve sheath (ONS). In this study, we investigated the effects of mechanical loading on the porcine ONS to better understand the mechanical response of the ONS to increased ICP.

fluid shift (biological)↗
DOE OSTI2026

Controlling Deformation in Al/Ti: How Interface Roughness and Orientation Drive Bimetal Mechanics

The microstructural characteristics and morphology of interfaces in metals can be crucial in governing the initiation of plasticity and early deformation mechanisms under extreme conditions. During high-strain-rate deformation, these interfaces significantly affect dislocation nucleation, twinning, and other mechanisms that directly impact material strength and failure. Despite their importance, a substantial knowledge gap remains between the observed macroscopic material behavior and the underlying role of bimetal interfaces in plasticity initiation. Here, to address this gap, large-scale molecular dynamics simulations are performed on Al/Ti bimetal structures to examine the effect of interface characteristics on the onset of plasticity under uniaxial compression. Specifically, this study investigates how interface roughness (flat vs waveform interfaces) modifies the initiation of plastic events in the microstructure. Atomistic simulations indicate that interface roughness (a microscopic behavior) reduces the stress required for dislocation nucleation, thereby reducing the peak stress relative to a flat interface. For the square interface, the step height strongly influences plasticity initiation by setting the separation of locally flat regions. Varying the interface rotation relative to the loading direction (macroscopic behavior) reveals that the peak stress for both flat and waveform interfaces initially decreases and then increases with rotation, accompanied by a shift in dominant mechanisms—from Al twinning (flat) to interface sliding and Ti-dominated phase transformation and twinning at lower angles. The change in the stress-strain slope during initial compression reflects how rotation alters the resolved shear stress and activates different slip systems. Overall, the study provides valuable insights into the role of bimetal interfaces in controlling plasticity initiation and early deformation pathways for Al/Ti under extreme loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quadratic Zeeman effect in hydrogen at 2–3 MG magnetic fields

The Zeeman effect is used for measurement of magnetic fields in astrophysical and laboratory plasmas. Magnetic fields in atmospheres of magnetic white dwarf stars are in the range 40 kG–1 GG. The quadratic Zeeman effect results in the additional split and shift of lines for magnetic fields >2 MG. Hydrogen Balmer lines were studied in magnetic fields delivered by a 1 MA pulse power generator. The magnetic field was generated by rod loads 0.8–1 mm in diameter. A droplet of CH oil on the load center was the source of hydrogen. A low ionized oil layer was backlit by blackbody emission from the rod with a temperature of 0.5–0.6 eV. Zeeman splitting of H-alpha and H-beta absorption lines were with a grating spectrometer. A spectral shift of the central component of the triplet indicated the quadratic Zeeman effect in hydrogen lines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2016

Anthropogenic Sulphur Dioxide Load over China as Observed from Different Satellite Sensors

China, with its rapid economic growth and immense exporting power, has been the focus of many studies during this previous decade quantifying its increasing emissions contribution to the Earth's atmosphere. With a population slowly shifting towards enlarged power and purchasing needs, the ceaseless inauguration of new power plants, smelters, refineries and industrial parks leads infallibly to increases in sulphur dioxide, SO2, emissions. The recent capability of next generation algorithms as well as new space-borne instruments to detect anthropogenic SO2 loads has enabled a fast advancement in this field. In the following work, algorithms providing total SO2 columns over China based on SCIAMACHY/Envisat, OMI/Aura and GOME2/MetopA observations are presented. The need for post-processing and gridding of the SO2 fields is further revealed in this work, following the path of previous publications. Further, it is demonstrated that the usage of appropriate statistical tools permits studying parts of the datasets typically excluded, such as the winter months loads. Focusing on actual point sources, such as megacities and known power plant locations, instead of entire provinces, monthly mean time series have been examined in detail. The sharp decline in SO2 emissions in more than 90% - 95% of the locations studied confirms the recent implementation of government desulphurisation legislation; however, locations with increases, even for the previous five years, are also identified. These belong to provinces with emerging economies which are in haste to install power plants and are possibly viewed leniently by the authorities, in favour of growth. The SO2 load seasonality has also been examined in detail with a novel mathematical tool, with 70% of the point sources having a statistically significant annual cycle with highs in winter and lows in summer, following the heating requirements of the Chinese population.

Sulphur dioxide; China; Satellite remote sensing; ↗
DOE OSTI2024

Power System Operational Impacts of Electric Vehicle Dynamic Wireless Charging

The electrification of the transportation sector poses an opportunity for reducing greenhouse gas (GHG) emissions from passenger vehicles. Electric vehicle (EV) charging through dynamic wireless power transfer (DWPT), known as roadway electrification, could shift EV demand profiles to better coincide with renewable electricity generation. However, this would be a very large new load and few studies evaluate the regional impacts of DWPT charging in a power transmission system. This paper defines methods that address dataset generation for passenger vehicle trips and models to evaluate regional impacts for this emerging technology. Household vehicle miles traveled (VMT) data form localized EV demand profiles through discrete-event simulation. This data serves as exogenous inputs for a Production Cost Model (PCM) of a synthetic transmission system based on the Electric Reliability Council of Texas's (ERCOT) network. EV charging methods are compared for both a 2018 baseline generation mixture and a high-renewable generation case incorporating 20 GW of installed solar photovoltaic (PV) capacity. The PCM employs unit commitment and economic dispatch (UC&ED) models to compare financial, environmental, and grid reliability impacts from EV charging across passenger EV adoption levels. In-transit charging could reduce grid operational costs by as much as 1.49%, with up to $13.7B saved in annual vehicle operational costs for consumers compared to gas-powered vehicles. Health impacts analysis from power plant and vehicle tailpipe emissions from this study show net health benefits increase by 40% for in-transit charging coupled with high renewable generation. Renewable resources provide an avenue for cost-effective in-transit charging with reduced emissions. The combination of dataset generation and open-source power system modeling establish a foundation for the holistic evaluation of regional DWPT impacts.

dynamic wireless power transfer↗
DOE OSTI2025

Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle

Heterogeneous olefin metathesis catalysts exhibit low active site densities and unpredictable kinetics due to dynamic active site formation and decay processes. Here, in this study, we establish a quantitative framework that captures active site generation, renewal, and decay in olefin metathesis over silica-supported molybdenum oxide catalysts, enabling a mechanistic explanation of catalytic behavior and strategies to achieve high, stable activity. Steady-state active site titrations reveal that 2,3-dimethyl-butene isomers (4MEs) cofeeding increases active site density by up to 4.3-fold, directly correlating with enhanced metathesis rates. Spectroscopic studies demonstrate that 4MEs facilitate Mo(VI) reduction to Mo(IV) and interact strongly with surface Si–OH groups, generating labile protons that promote active site formation via a 1,2-proton shift mechanism. Kinetic modeling indicates that ethylene acts as a decay promoter, shifting kinetic control away from the Chauvin cycle and suppressing metathesis activity. Comparative studies on catalysts with varying Mo loading reveal that promotion is most effective for dispersed molybdate species, with a decline at higher Mo loadings. These findings provide a unified mechanistic framework for heterogeneous olefin metathesis, offering new strategies to enhance active site accessibility, mitigate deactivation, and optimize catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗