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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Detection and Quantitation of Hydrogen Emissions Role and Status of Detection Technology

Hydrogen is a critical strategy to decarbonize energy and manufacturing industries. Hydrogen is nontoxic and can be handled safely, but potential for secondary greenhouse impacts. Hydrogen releases arise from a variety of mechanisms (process, design features, "leaks") that contribute to total hydrogen releases. Detection methodologies will be critical to detect and quantify hydrogen emissions. Detection is to be integrated with advanced analytics (AI) and behavior modelling to effectively identify, quantify, and source locate hydrogen releases. Modelling of emissions will contribute to facility safety and reliability. DOE is committed to develop the tools to model and mitigate the impact of hydrogen releases which include: Support modeling to elucidate released hydrogen degradation; Support the development of tools for emissions quantitation; and Support engineering advancements to minimize hydrogen losses along the value chain (including process, design features, and leaks).

detection↗
DOE OSTI2024

Stochastic modeling of x-ray superfluorescence

An approach to modeling the dynamics of x-ray amplified spontaneous emission and superfluorescence, the phenomenon of collective x-ray emission initiated by intense pulses of x-ray free-electron lasers, is developed based on stochastic partial differential equations. The equations are derived from first principles, and the relevant approximations, derivation steps, and extensions specific to stimulated x-ray emission are presented. The resulting equations take the form of three-dimensional generalized Maxwell-Bloch equations augmented with noise terms for both field and atomic variables. The derived noise terms possess specific correlation properties that enable the correct reconstruction of spontaneous emission. Consequently, the developed theoretical formalism is universally suitable for describing all stages of stimulated x-ray emission: spontaneous emission, amplified spontaneous emission, and superfluorescence. Here, we present numerical examples that illustrate various properties of the emitted field, including spatiotemporal coherence and spectral-angular and polarization characteristics. We anticipate that the proposed theoretical framework will establish a robust foundation for interpreting measurements in stimulated x-ray emission spectroscopy, modeling x-ray laser oscillators, and describing other experiments leveraging x-ray superfluorescence.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Modeling and analysis of heat emissions from buildings to ambient air

Heat emissions from buildings is a significant source of anthropogenic heat influencing the urban microclimate; however, they are usually oversimplified in urban climate and microclimate modeling. This study developed a bottom-up physics-based approach to calculate heat emissions from buildings to the ambient air and implemented the approach in EnergyPlus. In this work, a simple result verification was conducted by comparing the EnergyPlus simulated results against the spreadsheet calculations. Simulations covering 16 commercial building types, four climates, and two energy efficiency levels were conducted to understand and evaluate the building heat emissions and their temporal patterns as well as three major components: (1) building envelope (convective heat transfer to ambient air), (2) zones (air exfiltration and exhaust air), and (3) HVAC systems (relief air and heat rejection from condensers or cooling towers). The main findings are: (1) heat emissions are usually higher than the site energy use (about 2.5 times), and their dynamics should be considered; (2) building characteristics and their energy systems lead to differences in heat emission contributions from the three components, and their dynamics, for example, in the warehouse models, the envelope component accounts for 90.4%, while it is 12.7% for the large office models; (3) for most building typologies, the climate has a strong impact on heat emissions, for example, buildings with dominant heat emissions from the zone exhaust air and/or the HVAC reject heat, a general decrease in heat emissions in hotter climates is observed, while envelope-dominated buildings show the opposite; and (4) building technologies that reduce energy use in buildings may perform differently in reducing heat emissions. The developed heat emissions calculation method can be adopted in EnergyPlus and most other building energy modeling programs. It can provide dynamic building heat emissions as an input to urban climate computational fluid dynamics (CFD) models at a higher spatial and temporal resolution than is currently available, to improve the simulation accuracy of the urban microclimate and capture the urban heat island effect and urban overheating.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Uncertainty Quantification of Global Net Methane Emissions From Terrestrial Ecosystems Using a Mechanistically Based Biogeochemistry Model

Quantification of methane (CH4) emissions from wetlands and its sinks from uplands is still fraught with large uncertainties. Here, a methane biogeochemistry model was revised, parameterized, and verified for various wetland ecosystems across the globe. The model was then extrapolated to the global scale to quantify the uncertainty induced from four different types of uncertainty sources including parameterization, wetland type distribution, wetland area distribution, and meteorological input. We found that global wetland emissions are 212 ± 62 and 212 ± 32 Tg CH4 year -1 (1Tg = 10 12 g) due to uncertain parameters and wetland type distribution, respectively, during 2000–2012. Using two wetland distribution data sets and three sets of climate data, the model simulations indicated that the global wetland emissions range from 186 to 212 CH 4 year -1 for the same period. The parameters were the most significant uncertainty source. After combining the global methane consumption in the range of -34 to -46 Tg CH 4 year -1 , we estimated that the global net land methane emissions are 149–176 Tg CH 4 year -1 due to uncertain wetland distribution and meteorological input. Spatially, the northeast United States and Amazon were two hotspots of methane emission, while consumption hotspots were in the Eastern United States and eastern China. During 1950–2016, both wetland emissions and upland consumption increased during El Niño events and decreased during La Niña events. This study highlights the need for more in situ methane flux data, more accurate wetland type, and area distribution information to better constrain the model uncertainty.

58 GEOSCIENCES↗
DOE OSTI2024

Integrated assessment modeling of a zero-emissions global transportation sector

Currently responsible for over one fifth of carbon emissions worldwide, the transportation sector will need to undergo a substantial technological transition to ensure compatibility with global climate goals. Few studies have modeled strategies to achieve zero emissions across all transportation modes, including aviation and shipping, alongside an integrated analysis of feedbacks on other sectors and environmental systems. Here, we use a global integrated assessment model to evaluate deep decarbonization scenarios for the transportation sector consistent with maintaining end-of-century warming below 1.5 °C, considering varied timelines for fossil fuel phase-out and implementation of advanced alternative technologies. We highlight the leading low carbon technologies for each transportation mode, finding that electrification contributes most to decarbonization across the sector. Biofuels and hydrogen are particularly important for aviation and shipping. Our most ambitious scenario eliminates transportation emissions by mid-century, contributing substantially to achieving climate targets but requiring rapid technological shifts with integrated impacts on fuel demands and availability and upstream energy transitions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Gravitational-wave signal of a core-collapse supernova explosion of a 15M ⊙ star

In this paper we report on the gravitational-wave signal computed in the context of a three-dimensional simulation of a core-collapse supernova explosion of a 15 M ⊙ star. The simulation was performed with our neutrino hydrodynamics code chimera . We detail the gravitational wave strains as a function of time, for both polarizations, and discuss their physical origins. We also present the corresponding spectral signatures. Gravitational wave emission in our model has two key features: low-frequency emission (less than 200 Hz) emanates from the gain layer as a result of neutrino-driven convection and the standing accretion shock instability (SASI), and high-frequency emission (greater than 600 Hz) emanates from the proto–neutron star due to Ledoux convection within it. The high-frequency emission dominates the gravitational wave emission in our model and emanates largely from the convective layer itself, not from the convectively stable layer above it, due to convective overshoot. Moreover, the low-frequency emission emanates from the gain layer itself, not from the proto–neutron star, due to accretion onto it. We provide evidence of the SASI in our model and demonstrate that the peak of our low-frequency gravitational wave emission spectrum corresponds to it. Given its origin in the gain layer, we classify the SASI emission in our model as p-mode emission and assign a purely acoustic origin, not a vortical–acoustic origin, to it. We compare the results of our three-dimensional model analysis with those obtained from the model’s two-dimensional counterpart and find a significant reduction in the strain amplitudes in the former case, as well as significant reductions in all related quantities. Our dominant proto–neutron star gravitational wave emission is not well characterized by emission from surface g modes, complicating the relationship between peak frequencies observed and the mass and radius of the proto–neutron star expressed by analytic estimates under the assumption of surface g-mode emission. We present our frequency normalized characteristic strain along with the sensitivity curves of current- and next-generation gravitational wave detectors. This simple analysis indicates that the spectrum of gravitational wave emission between approximately 20 Hz and approximately 1 kHz, stemming from neutrino-driven convection, the SASI, accretion onto the proto–neutron star, and proto–neutron star convection, will be accessible for a Galactic event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Microbial seasonality promotes soil respiratory carbon emission in natural ecosystems: A modeling study

Seasonality is a key feature of the biosphere and the seasonal dynamics of soil carbon (C) emissions represent a fundamental mechanism regulating the terrestrial–climate interaction. We applied a microbial explicit model—CLM-Microbe—to evaluate the impacts of microbial seasonality on soil C cycling in terrestrial ecosystems. Additionally, the CLM-Microbe model was validated in simulating belowground respiratory fluxes, that is, microbial respiration, root respiration, and soil respiration at the site level. On average, the CLM-Microbe model explained 72% (n = 19, p < 0.0001), 65% (n = 19, p < 0.0001), and 71% (n = 18, p < 0.0001) of the variation in microbial respiration, root respiration, and soil respiration, respectively. We then compared the model simulations of soil respiratory fluxes and soil organic C content in top 1 m between the CLM-Microbe model with (CLM-Microbe) and without (CLM-Microbe_wos) seasonal dynamics of soil microbial biomass in natural biomes. Removing soil microbial seasonality reduced model performance in simulating microbial respiration and soil respiration, but led to slight differences in simulating root respiration. Compared with the CLM-Microbe, the CLM-Microbe_wos underestimated the annual flux of microbial respiration by 0.6%–32% and annual flux of soil respiration by 0.4%–29% in natural biomes. Correspondingly, the CLM-Microbe_wos estimated higher soil organic C content in top 1 m (0.2%–7%) except for the sites in Arctic and boreal regions. Our findings suggest that soil microbial seasonality enhances soil respiratory C emissions, leading to a decline in SOC storage. An explicit representation of soil microbial seasonality represents a critical improvement for projecting soil C decomposition and reducing the uncertainties in global C cycle projection under the changing climate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Prototype Thick-Target Bremsstrahlung Model with Angularly-Dependent Emission in the MCNP6 ® Code

This document summarizes the current thick-target bremsstrahlung (TTB) model in MCNP and provides test results for an alternative implementation to improve the accuracy with reduced cost compared to full electron transport. It has been observed that the current TTB model produces inaccurate results in problems where the medium is thick with respect to electrons, but the photon distribution in the problem has a strong directionality. An example of such a simulation is detectors surrounding a metal target irradiated with a radiographic beam of high energy photons. The primary cause of this discrepancy is the current TTB method emits all bremsstrahlung photons in the same direction as the primary electron produced from each (γ, e ± ) interaction, leading to artificially forward peaked photon distributions for intermediate to high-energy incident photons. To improve the TTB model, we have implemented an angularly-dependent TTB model in a developer version of the MCNP6 ® code; for developers, this was done on the branch prototype/angular_ttb in the mcnp6 repo on bitbucket. The angularly-dependent TTB model accounts for the energy and scattering of electrons as they slow down in the current material, but does not sample the computationally expensive energy straggling, secondary electron events, and tracking electrons; this approach is significantly less computationally expensive than full electron transport and can be comparable to the original TTB method for problems with sufficiently complex materials and geometry. To evaluate the method, we have modeled a simple problem of a beam of 5 MeV photons incident on a sphere of plutonium surrounded by detectors at different deflection angles. For this problem, the angularly-dependent TTB produces a photon flux within 8.0% for a 90 degree deflection angle and 0.8% along the beam axis, as compared to the electron transport solution. This is an improvement compared to a 43% and 81% discrepancy with the original TTB method, respectively. The rest of this work includes the following: the first section details the current TTB treatment in MCNP, which has not been well documented elsewhere. Then, the modified TTB algorithm is detailed and the approximations compared to the condensed history algorithm are compared. Results are given comparing the two TTB methods to the condensed history transport algorithm. The appendix includes details for code developers on relevant electron transport implementation details and potential code improvements for future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights

Covalent functionalization of single-walled carbon nanotubes (SWCNTs) with organic molecules results in red-shifted emissive states associated with sp 3 -defects in the tube lattice, which facilitate their improved optical functionality, including single-photon emission. The energy of the defect-based electronic excitations (excitons) depends on the molecular adducts, the configuration of the defect, and concentration of defects. In this work, we model the interactions between two sp 3 -defects placed at various distances in the (6,5) SWCNT using time-dependent density functional theory. Calculations reveal that these interactions conform to the effective model of J-aggregates for well-spaced defects (>2 nm), leading to a red-shifted and optically allowed (bright) lowest energy exciton. H-aggregate behavior is not observed for any defect orientations, which is beneficial for emission. The splitting between the lowest energy bright and optically forbidden (dark) excitons and the pristine excitonic band are controlled by the single-defect configurations and their axial separation. These findings enable a synthetic design strategy for SWCNTs with tunable near-infrared emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Updates to Anaerobic Digestion Pathways for Animal Manure in R&D GREET 2025 Rev.1

Renewable natural gas (RNG) produced from animal manure can significantly reduce greenhouse gas (GHG) emissions from the transportation sector, but accurate life cycle assessment (LCA) of this fuel depends on precise modeling of emissions from business-as-usual (BAU) manure manage ment. This report documents updates to the Research & Development version of the Greenhouse Gases, Regulated Emissions, and Energy Use in Technologies (R&D GREET) model that attempt to improve that precision.

09 BIOMASS FUELS↗
DOE OSTI2023

Emissions minimization on road networks via Generic Second Order Models

In this paper we consider the problem of estimating emissions due to vehicular traffic on complex networks, and minimizing their effect by regulating traffic at junctions. For the traffic evolution, we consider a Generic Second Order Model, which encompasses the majority of two-equations (i.e., second-order) models available in the literature, and extend it to road networks with merge and diverge junctions. The dynamics on the whole network is determined by selecting a solution to the Riemann Problems at junctions, i.e., the Cauchy problems with constant initial data on each incident road. The latter are solved by assuming the maximization of the flow and assigning a traffic distribution coefficient for outgoing roads of diverges, and a priority rule for incoming roads of merges. A general emission model is considered and its parameters are tuned to the $ {\mathrm{NO_{x}}} $ emission rate. The minimization of emissions is then formulated in terms of the traffic distribution and priority parameters, taking into account travel times. A comparison is provided between roundabouts with optimized parameters and traffic lights, which correspond to time-varying traffic priorities. Our approach can be adapted to manage traffic in complex networks in order to reduce emissions while keeping travel time at acceptable levels.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Coupled Hydrological-Thermal-Biogeochemical Modeling for Predicting Arctic Carbon Emissions (CH4PACE)

The Arctic, with nearly 1,700 billion metric tons of carbon stored in its soils, is experiencing significant warming trends that raise concerns about the potential release of greenhouse gases, particularly methane. This report investigates the conversion of carbon stored in Arctic soils and permafrost into methane and its subsequent atmospheric release over the coming decades. Recent data indicate a rise in global methane concentrations, highlighting the importance of understanding the mechanisms of methane generation under anaerobic conditions prevalent in thawing permafrost. Our study employs a multi-faceted approach that integrates fieldwork, benchtop experiments, and numerical simulations to explore the subsurface hydrological-thermal-biogeochemical systems influencing methane emissions. We focus on the relationship between microbial activity in decomposing organic matter under oxygen-limited conditions and the transport of methane out of these saturated wetland soils. Key hydrological parameters, including permeability, porosity, and thermal conductivity, were measured on soil samples from Fairbanks, Alaska, and used to parameterize PFLOTRAN, a coupled hydrological-thermal-reactive transport simulator. Our model enables prediction of the evolution of the active layer and its impact on methane production and release. Our findings underscore the critical need for a mechanistic understanding of methane dynamics in permafrost environments to improve predictions of methane emissions in Earth systems models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Fermi and Swift Observations of GRB 190114C: Tracing the Evolution of High-energy Emission from Prompt to Afterglow

We report on the observations of gamma-ray burst (GRB) 190114C by the Fermi Gamma-ray Space Telescope and the Neil Gehrels Swift Observatory . The prompt gamma-ray emission was detected by the Fermi GRB Monitor (GBM), the Fermi Large Area Telescope (LAT), and the Swift Burst Alert Telescope (BAT) and the long-lived afterglow emission was subsequently observed by the GBM, LAT, Swift X-ray Telescope (XRT), and Swift UV Optical Telescope. The early-time observations reveal multiple emission components that evolve independently, with a delayed power-law component that exhibits significant spectral attenuation above 40 MeV in the first few seconds of the burst. This power-law component transitions to a harder spectrum that is consistent with the afterglow emission observed by the XRT at later times. This afterglow component is clearly identifiable in the GBM and BAT light curves as a slowly fading emission component on which the rest of the prompt emission is superimposed. As a result, we are able to observe the transition from internal-shock- to external-shock-dominated emission. We find that the temporal and spectral evolution of the broadband afterglow emission can be well modeled as synchrotron emission from a forward shock propagating into a wind-like circumstellar environment. We estimate the initial bulk Lorentz factor using the observed high-energy spectral cutoff. Considering the onset of the afterglow component, we constrain the deceleration radius at which this forward shock begins to radiate in order to estimate the maximum synchrotron energy as a function of time. We find that even in the LAT energy range, there exist high-energy photons that are in tension with the theoretical maximum energy that can be achieved through synchrotron emission from a shock. These violations of the maximum synchrotron energy are further compounded by the detection of very high-energy (VHE) emission above 300 GeV by MAGIC concurrent with our observations. We conclude that the observations of VHE photons from GRB 190114C necessitates either an additional emission mechanism at very high energies that is hidden in the synchrotron component in the LAT energy range, an acceleration mechanism that imparts energy to the particles at a rate that is faster than the electron synchrotron energy-loss rate, or revisions of the fundamental assumptions used in estimating the maximum photon energy attainable through the synchrotron process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Bioenergy pathways within United States net-zero CO 2 emissions scenarios in the Energy Modeling Forum 37 study

The Energy Modeling Forum 37 study is organized around carbon dioxide (CO 2 ) mitigation scenarios reaching net-zero CO 2 emissions by 2050 in the United States. Here, this paper summarizes the potential contribution of bioenergy use in the electric power, transportation, industrial, and buildings sectors toward meeting that target based on model results. Thirteen modeling teams reported bioenergy consumption in the Reference and Net Zero scenarios. Consumption of bioenergy increased over time in the Reference scenario, from an average across models of 3.2 exajoules (EJ) in 2020 to 3.8 EJ in 2050. Average bioenergy consumption in 2050 increased further to 7.3 EJ in the Net Zero scenario. All scenarios that reach net-zero emissions required some form of carbon dioxide removal to offset emissions that are difficult to reduce. Carbon dioxide removal using bioenergy with CO 2 capture and storage (BECCS) varies widely across models, up to 1000 Mt CO 2 in 2050. Some models rely instead on direct air carbon capture and storage (DACCS), up to 2200 Mt CO 2 , and others use a combination of BECCS and DACCS. Model results show a strong inverse relationship between the amounts of BECCS and DACCS deployed. All modeling teams assumed a carbon sink from land use, land use change, and forestry, further offsetting a portion of emissions from fossil fuels and industry that are expensive to eliminate. Bioenergy consumption in 2050 decreased by an average of 1.5 EJ across eight models in a Net Zero+ scenario relative to the Net Zero scenario, due in part to a lower equilibrium carbon price resulting from optimistic cost assumptions for all energy technologies.

09 BIOMASS FUELS↗
DOE OSTI2026

Comparative Performance of Gaussian Plume and Backward Lagrangian Stochastic Models for Near-Field Methane Emission Estimation Using a Single Controlled Release Experiment

Methane (CH 4 ) is a major component of natural gas and a potent greenhouse gas. Increasing atmospheric methane concentrations are attributed to emissive anthropogenic activities by an average of 13 ppb per yr since 2020 and are linked to a changing global climate. Mitigating CH 4 emissions from oil and gas production sites has recently become a target to reduce overall greenhouse gas emissions; however, monitoring the efficacy of mitigation strategies depends on accurate quantification of CH 4 emissions at the facility-level. Near-field quantification of methane (CH 4 ) emissions from oil and gas (O&G) facilities remains challenging due to the effects of atmospheric variability and sensor configuration on atmospheric dispersion models. This study evaluates the performance of two atmospheric dispersion models, the Gaussian plume (GP) and backward Lagrangian stochastic (bLS), by comparing calculated CH 4 emissions to controlled single-point emissions between 0.4 and 5.2 kg CH 4 h −1 . Emissions were calculated by both models using 121 individual sets of measurements comprising five-minute averaged downwind methane mixing ratios and matching meteorological data. The comparison shows that the bLS approach achieved a higher proportion of emission estimates within a factor of two (FAC2) of the known emission rates compared to the GP approach. The emissions calculated by the bLS model also had a lower multiplicative error and reduced bias relative to GP. Other error-based metrics further confirmed the bLS model performed better, as it yielded lower RMSE and MAE than GP. Statistical analysis of the emission data shows that the lateral and vertical alignment of the source and the sensor plays a critical role in emission estimations, as measurements made closer to the plume centerline and at a distance between 40 and 80 m downwind yielded the best FAC2 agreement. High wind meander degraded the ability of both approaches to generate representative emissions, particularly with the GP approach, as it violates the modeling approach’s assumption of steady-state emissions. Data suggest emissions calculated by the bLS model are comprehensively in better agreement, but the computational demands of the modeling approach and integration into fenceline systems limit real-time applicability. While these results provide insight into model performance under controlled near-field conditions, their applicability to more complex or heterogeneous oil and gas production environments (e.g., the regions Marcellus or Unita Basins) remains limited and uncertain.

gaussian plume↗
DOE OSTI2024

Microscopic modeling of direct pre-equilibrium emission: Impact on exclusive and inclusive (n, x n) and fission channels

We report on a microscopic modeling of the first order of multistep direct emission based on one phonon excitations, given by the QRPA model, and an effective in-medium nucleon nucleon interaction, described within the JLM folding model. The results of our coupled channels framework for deformed target are illustrated in the case of low energy discrete state excitations in 152 Sm. Pre-equilibrium predictions and their impact on inclusive and exclusive (n,xn) cross sections and fission cross sections are discussed for actinides. We discuss the importance of i) collective excitations to describe the neutron emission spectra and of ii) spin distribution of the residual nucleus formed after the neutron pre-equilibrium emission, that is a key ingredient to model the residual nucleus decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗