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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Price formation in zero-carbon electricity markets - fundamentals, challenges, and research needs

Future power systems dominated by zero-carbon generation resources may require significant revisions to electricity market designs to ensure capacity adequacy and market efficiency. Here, in this paper, we first conceptually outline key fundamentals underlying electricity market design and price formation in U.S. electricity markets. We then discuss a set of potential market design challenges related to price formation in a grid dominated by zero-carbon resources with marginal cost profiles that differ compared to traditional thermal resources. Next, we review electricity market design solutions that have been proposed in the literature to ensure market efficiency in zero-carbon systems, and the associated implications for price formation. We conclude by summarizing key observations and establishing a set of research questions that should be addressed to improve our understanding of market design, price formation, and market efficiency in zero-carbon power systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Prolonged Stability of Pb-Catalyzed CO 2 Electroreduction to Methyl Formate in Acidic Methanol

Electrochemical CO 2 reduction from renewable energy is a promising route to mitigate greenhouse gas emissions from waste sources while generating value-added products. CO 2 electroreduction in methanol is particularly interesting due to the increased CO 2 solubility compared to water and the propensity to form methyl formate, a product absent in aqueous electrolysis. Here, four factors have been identified as critical to achieving prolonged high selectivity for methyl formate production on a Pb cathode in methanol: high pH near the electrode, low bulk pH, low water content, and regeneration of Pb 2+ sites. Increasing concentration of the formic acid product was observed to induce a selectivity shift towards hydrogen, which was mitigated by the in-situ conversion of the formic acid to methyl formate via an esterification reaction. Furthermore, co-electrolysis of CO 2 with dilute molecular oxygen (4% O 2 ) led to Pb catalyst repair through in-situ surface oxidation. Using CO 2 and dilute O 2 along with single-pass catholyte flow to maintain a low formic acid concentration, sustained high selectivity for methyl formate was attained at ~60% faradaic efficiency at -20 mA cm -2 for over 72 hours.

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

Modulating Operational Conditions to Mitigate Deactivation in Formate Dehydrogenation on Pd Phases

In heterogeneous catalysis, poisoning by surface-bound intermediates poses a major barrier to sustained catalyst performance in (de)hydrogenation reactions. Formate/bicarbonate systems, as liquid organic hydrogen carriers (LOHCs), offer a CO 2 -integrated, low-temperature pathway for hydrogen storage and release, making them attractive for circular energy applications. However, their lower hydrogen density and susceptibility to catalyst deactivation limit their competitiveness compared to conventional LOHCs like methylcyclohexane. Here, this study investigates the mechanistic origins of formate (HCOO – ) dehydrogenation and associated deactivation on Pd interfaces. Using density functional theory (DFT) simulations, we show that under thermocatalytic conditions, strongly bound formate accumulates on the catalyst surface (Pd(111)), blocking active sites, raising activation barriers, and leading to progressive performance loss. Because formate adsorption involves charge transfer, we exploit its sensitivity to electronic structure by modulating the electrochemical potential of the catalyst. Our results reveal that hydrogen transfer from water and formate exhibits opposing potential dependencies, providing insights into the opposing driving forces behind both catalytic activity and poisoning. To further probe this phenomenon, we examine electrochemically induced phase transitions in Pd, focusing on PdO(100) and PdH(110), which are stable under oxidizing and reducing potentials, respectively, and demonstrate enhanced dehydrogenation activity between −0.4 and 0.2 V vs standard hydrogen electrode (SHE). Complementary thermal treatments help decouple kinetic and thermodynamic contributions to intermediate binding. These findings underscore the critical role of the catalyst phase and external stimuli in dictating poison-active site interactions and highlight phase engineering as a promising strategy to mitigate deactivation. This work offers mechanistic insights and design principles for developing more resilient and efficient catalysts for LOHC applications under realistic operating conditions.

Pd phase↗
DOE OSTI2022

Comparative Technoeconomic Analysis of Pathways for Electrochemical Reduction of CO 2 with Methanol to Produce Methyl Formate

Electrochemical CO 2 reduction has promise as a technology that could help society reach carbon neutrality while producing valuable fuels and chemicals. Herein, the electrochemical synthesis of methyl formate, a product not observed in aqueous CO 2 electrolysis, has been analyzed by a rigorous technoeconomic model to evaluate its commercial viability. Methyl formate synthesis has been demonstrated with high faradaic efficiency through the electroreduction of CO 2 in methanol. Four competing approaches were analyzed: (1) Electroreduction of captured CO 2 in a dual CH 3 OH/H 2 O electrolyzer, (2) Direct electroreduction of flue gas CO 2 in a dual CH 3 OH/H 2 O electrolyzer, (3) Electroreduction of captured CO 2 in a CH 3 OH/CH 3 OH electrolyzer, and (4) Electroreduction of captured CO 2 in a H 2 O/H 2 O electrolyzer with a downstream CH 3 OH reactor. Sensitivity analyses, cost contour plots, and comparison plots were generated. The dual methanol/water electrolysis approach was the most cost-competitive, with a levelized cost of methyl formate below the present market price. Here, the all-methanol electrolysis route was more expensive due to increased methanol consumption and greater distillation costs. Methyl formate production through aqueous CO 2 electrolysis to formic acid with a secondary esterification reaction was by far the most expensive approach, primarily due to the energy-intensive nature of distilling formic acid from water.

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

Star formation in outer rings of S0 galaxies: IV. NGC 254: A double-ringed S0 with gas counter-rotation

Although S0 galaxies are usually considered “red and dead”, they often demonstrate star formation organized into ring structures. We aim to clarify the nature of this phenomenon and how it differs from star formation in spiral galaxies. We investigated the nearby, moderate-luminosity S0 galaxy NGC 254 using long-slit spectroscopy taken with the South African Large Telescope and publicly available imaging data. Applying a full spectral fitting, we analyzed gaseous and stellar kinematics as well as ionized gas excitation and metallicity and stellar population properties resolved by radius. An advanced approach of simultaneously fitting spectra and photometric data allowed us to quantify the fraction of hidden counter-rotating stars in this galaxy. We find that the ionized gas is counter-rotating with respect to the stars throughout NGC 254 disk, indicating an external origin of the gas. We argue the gas-rich galaxy merger from retrograde orbit as a main source of counter-rotating material. The star formation fed by this counter-rotating gas occurs within two rings: an outer ring at R = 55' - 70" and an inner ring at R = 18". The star formation rate is weak, 0.02 solar mass per year in total, and the gas metallicity is slightly subsolar. We estimated that the accretion of the gas occurred about 1 Gyr ago, and about 1% of all stars have formed in situ from counter-rotating gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

High concentration of ultrafine particles in the Amazon free troposphere produced by organic new particle formation

The large concentrations of ultrafine particles consistently observed at high altitudes over the tropics represent one of the world’s largest aerosol reservoirs, which may be providing a globally important source of cloud condensation nuclei. However, the sources and chemical processes contributing to the formation of these particles remain unclear. Here we investigate new particle formation (NPF) mechanisms in the Amazon free troposphere by integrating insights from laboratory measurements, chemical transport modeling, and field measurements. To account for organic NPF, we develop a comprehensive model representation of the temperature-dependent formation chemistry and thermodynamics of extremely low volatility organic compounds as well as their roles in NPF processes. We find that pure-organic NPF driven by natural biogenic emissions dominates in the uppermost troposphere above 13 km and accounts for 65 to 83% of the column total NPF rate under relatively pristine conditions, while ternary NPF involving organics and sulfuric acid dominates between 8 and 13 km. The large organic NPF rates at high altitudes mainly result from decreased volatility of organics and increased NPF efficiency at low temperatures, somewhat counterbalanced by a reduced chemical formation rate of extremely low volatility organic compounds. These findings imply a key role of naturally occurring organic NPF in high-altitude preindustrial environments and will help better quantify anthropogenic aerosol forcing from preindustrial times to the present day.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The radio loudness of SDSS quasars from the LOFAR Two-metre Sky Survey: ubiquitous jet activity and constraints on star formation

ABSTRACT We examine the distribution of radio emission from ∼42 000 quasars from the Sloan Digital Sky Survey, as measured in the LOFAR Two-metre Sky Survey (LoTSS). We present a model of the radio luminosity distribution of the quasars that assumes that every quasar displays a superposition of two sources of radio emission: active galactic nuclei (jets) and star formation. Our two-component model provides an excellent match to the observed radio flux density distributions across a wide range of redshifts and quasar optical luminosities; this suggests that the jet-launching mechanism operates in all quasars but with different powering efficiency. The wide distribution of jet powers allows for a smooth transition between the ‘radio-quiet’ and ‘radio-loud’ quasar regimes, without need for any explicit bimodality. The best-fitting model parameters indicate that the star formation rate of quasar host galaxies correlates strongly with quasar luminosity and also increases with redshift at least out to z ∼ 2. For a model where star formation rate scales as $L_{\rm bol}^{\alpha } (1+z)^{\beta }$, we find α = 0.47 ± 0.01 and β = 1.61 ± 0.05, in agreement with far-infrared studies. Quasars contribute ≈0.15 per cent of the cosmic star formation rate density at z = 0.5, rising to 0.4 per cent by z ∼ 2. The typical radio jet power is seen to increase with both increasing optical luminosity and black hole mass independently, but does not vary with redshift, suggesting intrinsic properties govern the production of the radio jets. We discuss the implications of these results for the triggering of quasar activity and the launching of jets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Formation and evolution of protostellar accretion discs – I. Angular-momentum budget, gravitational self-regulation, and numerical convergence

Here, we investigate the formation and early evolution of a protostellar disc from a magnetized prestellar core using non-ideal magnetohydrodynamic (MHD) simulations including ambipolar diffusion and Ohmic dissipation. The dynamical contraction of the prestellar core ultimately leads to the formation of a first hydrostatic core, after ambipolar diffusion decouples the magnetic field from the predominantly neutral gas. The hydrostatic core accumulates angular momentum from the infalling material, evolving into a rotationally supported torus; this ‘first hydrostatic torus’ then forms an accreting protostar and a rotationally supported disc. The disc spreads out by gravitational instability, reaching ~30 au in diameter at ~3 kyr after protostar formation. The total mass and angular momentum of the protostar–disc system are determined mainly by accretion of gas from an infalling pseudo-disc, which has low specific angular momentum because of magnetic braking; their removal from the protostar–disc system by outflow and disc magnetic braking are negligible, in part because the magnetic field is poorly coupled there. The redistribution of angular momentum within the protostar–disc system is facilitated mainly by gravitational instability; this allows formation of relatively large discs even when the specific angular momentum of infalling material is low. We argue that such discs should remain marginally unstable as they grow (with Toomre Q ~ 1–2), an idea that is broadly consistent with recent observational estimates for Class 0/I discs. We discuss the numerical convergence of our results, and show that properly treating the inner boundary condition is crucial for achieving convergence at an acceptable computational cost.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Rethinking the Price Formation Problem–Part 1: Participant Incentives under Uncertainty

Operators of organized wholesale electricity markets attempt to form prices in such a way that the private incentives of market participants are consistent with a socially optimal commitment and dispatch schedule. In the U.S. context, several competing price formation schemes have been proposed to address the non-convex production cost functions characteristic of most generation technologies. Here, this paper considers how the design and analysis of price formation policies for non-convex markets are affected by the uncertainty inherent in electricity demand and supply. We argue that by excluding uncertainty, the analytical framework underlying existing policies mischaracterizes the incentives of market participants, leading to inefficient price formation and poor incentives for flexibility. We establish favorable theoretical properties of a new construct, ex ante convex hull pricing , and demonstrate the difference between this idealized benchmark and existing methods on a large-scale test system. Given increased operational uncertainty with a transition to wind and solar generation, distortions caused by poor incentives for flexibility are likely to grow without improved price formation in organized wholesale markets.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗
DOE OSTI2021

ESS-DIVE Reporting Format for File-level Metadata

The ESS-DIVE reporting format for file-level metadata (FLMD) provides granular information at the data file level to describe the contents, scope, and structure of the data file to enable comparison of data files within a data package. The FLMD are fully consistent with and augment the metadata collected at the data package level. We developed the FLMD template based on a review of a small number of existing FLMD in use at other agencies and repositories with valuable input from the Environmental Systems Science (ESS) Community. Also included is a template for a CSV Data Dictionary where users can provide file-level information about the contents of a CSV data file (e.g., define column names, provide units). Files are in .csv, .xlsx, and .md. Templates are in both .csv and .xlsx (open with e.g. Microsoft Excel, LibreOffice, or Google Sheets). Open the .md files by downloading and using a text editor (e.g. Notepad or TextEdit). Though we provide Excel templates for the file-level metadata reporting format, our instructions encourage users to 'Save the FLMD template as a CSV following the CSV Reporting Format guidance'. In addition, we developed the ESS-DIVE File Level Metadata Extractor which is a lightweight python script that can extract some FLMD fields following the recommended FLMD format and structure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Star Formation Rates for Elliptical Galaxies Derived from the Wise 12- and 22-µm Emission

We investigated the star formation rates (SFRs) of selected elliptical galaxies using the infrared data from the Wide-field Infrared Survey Explorer (WISE). The elliptical galaxies were selected from the Sloan Digital Sky Survey (SDSS) MPA-JHU catalog and morphology classified by Galaxy Zoo catalog. We used the 3.4-µm emission (W1) of WISE to represent the stellar mass of the galaxies and the 12- and 22-µm emission (W3 and W4) of WISE to represent the star formation activity of the galaxies. The W3- and W4-based star formation rates are usually overestimated due to the star emission in low star-forming galaxies. Stellar continuum emission could contribute to MIR fluxes of elliptical galaxies with an average overestimation of ~ 13.95 and ~ 0.77% from the observed fluxes of WISE W3 and W4-bands, which determined by using the estimated WISE W3 and W4 flux correction factors. Better SFRs can be obtained by subtracting the stellar contribution of the sources. Our result highlights the possibility of the existence of unknown mechanisms triggering the continuous star formation activities in elliptical galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spatial Decorrelation of Young Stars and Dense Gas as a Probe of the Star Formation–Feedback Cycle in Galaxies

The spatial decorrelation of dense molecular gas and young stars observed on ≲1 kpc scales in nearby galaxies indicates rapid dispersal of star-forming regions by stellar feedback. In this work, we explore the sensitivity of this decorrelation to different processes controlling the structure of the interstellar medium, the abundance of molecular gas, star formation, and feedback in a suite of simulations of an isolated dwarf galaxy with structural properties similar to NGC 300 that self-consistently model radiative transfer and molecular chemistry. Our fiducial simulation reproduces the magnitude of decorrelation and its scale dependence measured in NGC 300, and we show that this agreement is due to different aspects of feedback, including H 2 dissociation, gas heating by the locally variable UV field, early mechanical feedback, and supernovae. In particular, early radiative and mechanical feedback affects the correlation on ≲100 pc scales, while supernovae play a significant role on ≳ 100 pc scales. The correlation is also sensitive to the choice of the local star formation efficiency per free fall time, ϵ ff , which provides a strong observational constraint on ϵ ff when the global star formation rate is independent of its value. Finally, we explicitly show that the degree of correlation between the peaks of molecular gas and star formation density is directly related to the distribution of the lifetimes of star-forming regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Improved Measurements of Galaxy Star Formation Stochasticity from the Intrinsic Scatter of Burst Indicators

Abstract Measurements of short-timescale star formation variations (i.e., “burstiness” or star formation stochasticity) are integral to our understanding of star formation feedback mechanisms and the assembly of stellar populations in galaxies. We expand upon the work of Broussard et al. by introducing a new analysis of galaxy star formation burstiness that accounts for variations in the Q sg = E B − V stars / E B − V gas distribution, a major confounding factor. We use Balmer decrements from the MOSFIRE Deep Evolution Field (MOSDEF) survey to measure Q sg , which we use to construct mock catalogs from the Santa Cruz Semi-Analytic Models and Mufasa cosmological hydrodynamical simulation based on 3D-HST, Fiber Multi-Object Spectrograph (FMOS)-COSMOS, and MOSDEF galaxies with H α detections. The results of the mock catalogs are compared against observations using the burst indicator η = log 10 ( SFR H α / SFR NUV ) , with the standard deviation of the η distribution indicating burstiness. We find decent agreement between mock and observed η distribution shapes; however, the FMOS-COSMOS and MOSDEF mocks show a systematically low median and scatter in η in comparison to the observations. This work also presents the novel approach of analytically deriving the relationship between the intrinsic scatter in η , scatter added by measurement uncertainties, and observed scatter, resulting in an intrinsic burstiness measurement of 0.06–0.16 dex.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Mixing of Condensable Constituents with H–He during the Formation and Evolution of Jupiter

Simulations of Jupiter's formation are presented that incorporate mixing of H–He with denser material entering the planet as solids. Heavy compounds and gas mix substantially when the planet becomes roughly as massive as Earth, because incoming planetesimals can fully vaporize. Supersaturation of vaporized silicates causes the excess to sink as droplets, but water remains at higher altitudes. Because the mean molecular weight decreases rapidly outward, some of the compositional inhomogeneities produced during formation can survive for billions of years. After 4.57 Gyr, our Jupiter model retains compositional gradients; proceeding outward, one finds (i) an inner heavy-element core, the outer part derived from hot supersaturated rain-out; (ii) a composition-gradient region, containing most of the heavy elements, where H–He abundance increases outward, reaching about 0.9 mass fraction at 0.3 of the radius, with silicates enhanced relative to water in the lower parts and depleted in the upper parts; (iii) a uniform-composition region (neglecting He immiscibility) that is enriched over protosolar and contains most of the planet’s mass; and (iv) an outer region where cloud formation (condensation) of heavy constituents occurs. This radial compositional profile has heavy elements more broadly distributed than predicted by classical formation models but less diluted than suggested by Juno-constrained gravity models. The compositional gradients in the region containing the bulk of the heavy elements prevent convection, in both our models and those fitting current gravity, resulting in a hot interior where much of the accretion energy remains trapped.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Formate as an Energy Source to Allow Sugar Fermentation with No Net CO2 Generation: Integration of Electrochemistry with Fermentation

This poster summarizes at a high-level the scope of various groups' work on Formate as an Energy Source to Allow Sugar Fermentation with No Net CO2 Generation: Integration of Electrochemistry with Fermentation. The goals of this research are to develop and demonstrate an integrated process that electrochemically generates formate from CO2 and use the formate as an energy source for the fermentation of sugars to fatty acid methyl esters (FAME) without net CO2 generation wherein formate provides reducing equivalents for sugar fermentation and a chemical looping reactor system takes advantage of intermittent low-cost electricity from wind and solar resources.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2021

Texture Formation in Polycrystalline Thin Films of All‐Inorganic Lead Halide Perovskite

Abstract Controlling grain orientations within polycrystalline all‐inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits; however, the forces governing texture formation are ambiguous. Using synchrotron X‐ray diffraction, mesostructure formation within polycrystalline CsPbI 2.85 Br 0.15 powders as they cool from a high‐temperature cubic perovskite (α‐phase) is reported. Tetragonal distortions (β‐phase) trigger preferential crystallographic alignment within polycrystalline ensembles, a feature that is suggested here to be coordinated across multiple neighboring grains via interfacial forces that select for certain lattice distortions over others. External anisotropy is then imposed on polycrystalline thin films of orthorhombic (γ‐phase) CsPbI 3‐ x Br x perovskite via substrate clamping, revealing two fundamental uniaxial texture formations; i) I‐rich films possess orthorhombic‐like texture (<100> out‐of‐plane; <010> and <001> in‐plane), while ii) Br‐rich films form tetragonal‐like texture (<110> out‐of‐plane; <110> and <001> in‐plane). In contrast to relatively uninfluential factors like the choice of substrate, film thickness, and annealing temperature, Br incorporation modifies the γ‐CsPbI 3− x Br x crystal structure by reducing the orthorhombic lattice distortion (making it more tetragonal‐like) and governs the formation of the different, energetically favored textures within polycrystalline thin films.

Steele, Julian A.↗
DOE OSTI2022

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H 2 O 2 over Pd Nanoparticles

Abstract Coadsorbed organic species including thiolates can promote direct synthesis of hydrogen peroxide from H 2 and O 2 over Pd particles. Here, density functional theory based kinetic modeling, augmented with activity measurements and vibrational spectroscopy are used to provide atomistic understanding of direct H 2 O 2 formation over alkylthiolate(RS) Pd. We find that the RS species are oxidized during reaction conditions yielding RSO 2 as the effective ligand. The RSO 2 ligand shows superior ability for proton transfer to the intermediate surface species OOH, which accelerates the formation of H 2 O 2 . The ligands promote the selectivity also by blocking sites for unselective water formation and by modifying the electronic structure of Pd. The work rationalizes observations of enhanced selectivity of direct H 2 O 2 formation over ligand‐funtionalized Pd nanoparticles and shows that engineering of organic surface modifiers can be used to promote desired hydrogen transfer routes.

Chen, Lin↗