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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Shakeup and shakeoff spectra in the electron capture decay of atomic 7 Be

The most stringent laboratory-based experimental limits on the existence of submegaelectronvolt sterile neutrinos are currently set by decay spectroscopy of radioactive 7 Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shakeup and shakeoff spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wave functions ab initio and compute all single and double shake processes in the electron capture decay of atomic 7 Be . The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the 7 Be is embedded into. The new models also show that the 𝐿/𝐾 electron capture ratio of 7 Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Hybridization capture sequencing for Vibrio spp. and associated virulence factors

ABSTRACT Proliferation ofVibriospp. in aquatic ecosystems is associated with climate change and, concomitantly, increased incidence of vibriosis. They are autochthonous to aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing (HCS) was employed to profile low-abundanceVibriospp. in environmental samples. The HCS panel targeted a family of molecular chaperones (CPN60) specific to 69Vibriospp. and 162Vibrio-specific virulence factors. This approach was evaluated in parallel with traditional whole-community shotgun sequencing in a metagenomic analysis of water and oyster samples collected from the Chesapeake Bay. In addition,Vibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples were subjected to whole-genome sequencing to determine the genetic characteristics of pathogenicVibriospp. circulating in an aquatic environment. HCS, employed to determine the incidence and characterization of specificVibriospp., yielded significantly greater metagenomic insight, notably a variety of otherVibriospp., including detection ofVibrio cholerae,Vibrio fluvialis, andVibrio aestuarianus, in addition toVibrio parahaemolyticusandVibrio vulnificus, and also important virulence factors not detectable using traditional molecular methods. Thus, pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood. It is concluded that environmental surveillance should include HCS, a valuable tool for the detection and characterization of pathogenic agents in aquatic ecosystems, notably vibrios. IMPORTANCE The increasing prevalence of pathogenicVibriospp. in aquatic ecosystems, driven by climate change, is closely linked to a rise in cholera and vibriosis cases, emphasizing the need for improved environmental surveillance. Vibrios are naturally occurring in aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing was employed to profile low-abundanceVibriospp. in metagenomic samples, namely water and oysters collected from the Chesapeake Bay. This approach was evaluated in parallel with traditional whole-community shotgun sequencing and whole-genome sequencing ofVibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples. Results suggest pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood, when multiple methods are considered for environmental surveillance.

Microbiology↗
DOE OSTI2024

Effects of shape/phase transition regions on neutron capture cross sections

Abstract A recent study found a new, purely empirical correlation between two-neutron separation energies and neutron capture cross sections in keV neutron energy regimes. In shape/phase transition regimes, such as that near A= 150, S $$_{2n}$$ 2 n values show an anomaly—a flattening of the normal near linear decrease with neutron number. This paper addresses two questions: (1) Using this new correlation, is this anomaly in S $$_{2n}$$ 2 n values sizeable enough to produce an observable effect in capture cross sections? and (2) Can the correlation be used to quantitatively reproduce the cross sections in the transition region? It is found that the answer to both questions is in the affirmative. Possible relations to the r -process are briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

EV Profile Capture

NextGen Profiles' EV profile capture efforts aimed to explore the variance in performance and evaluate how different operational conditions influence production EV charging behavior. Data were collected at a frequency of 10 Hz from both the EV and EVSE during each charge session. These charge session parameters were then entered into a time-series database for further analysis. The data were gathered under different operational conditions to examine the effects of various factors such as battery state of charge, battery temperature, vehicle condition, smart charge management, and EVSE limitations. The EV profile capture dataset includes extensive high-power charging data from 16 different EVs—comprising light-, medium-, and heavy-duty vehicles—along with EVSE from various suppliers. To protect confidentiality, the EV and EVSE metadata are anonymized, and the publicly released datasets are aggregated to 0.1-Hz frequency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Highly Permeable Rubbery Thin Film Composite Membranes for CO2 Capture from Steel Mills

This presentation will report the rational design and fabrication of NETL’s highly permeable non-aging thin film composite (TFC) membranes for CO2 capture from various industrial point sources. This talk will also cover the design, computational fluid dynamic simulation, 3D printing, and permeation testing of plate-and-frame membrane modules for an upcoming field demonstration at U. S. Steel’s Edgar Thomson Plant in Braddock, PA. The field test will demonstrate membrane-based CO2 capture from a blast furnace for decarbonization of steel manufacturing for the first time in the U.S. A mobile gas permeation test unit is currently under design and construction for the field test, which is scheduled to take place in 2025.

Zhu, Lingxiang↗
DOE OSTI2024

CFD and systems engineering to minimize membrane-based carbon capture costs

In this study, we propose a superstructure for membrane-based carbon capture, addressing these challenges through the formulation of an optimization problem. The case study considers a flue gas with a flowrate of 1000 mol/s and a 30 % CO2 (molar basis), which is representative of steel plants. Reduced models, derived from rigorous CFD simulations of membrane modules, are utilized to enhance the efficiency of the optimization process. The reduced model includes specific input variables such as inlet flow rate, retentate and permeate pressures, and inlet CO2 concentration; while the CO2 recovery and purity in the permeate side are considered as output variables. In this way, we exploit the information from the CFD simulations in the superstructure, aiding in the selection of the optimal configuration for the multi-stage membrane process. The results underscore the efficiency of a multi-stage membrane design, showing capture costs around 45 $/t-CO2.

Pedrozo, Hector A.↗
DOE OSTI2024

Membrane Development for CO2 Capture from Steel Manufacturing

The U.S. government is targeting a net-zero carbon-emission economy by 2050, offering an exciting opportunity for membrane-based CO2 capture from various industrial point sources. Given that industrial flue gas has low CO2 partial pressures and high volumetric flow rates, high-permeance membranes are needed to make membrane technology economically viable for large-scale deployment. Thin film composite (TFC) membranes are necessary for this implementation because they can provide high permeance by forming a thin selective layer on top of a porous support. This presentation will report the rational design and fabrication of NETL’s highly permeable non-aging TFCs achieved by: synthesizing a high-performance rubbery selective material; developing a high-porosity membrane support; optimizing coating methods to assemble the two materials into scalable membranes; and scaling up membrane supports and TFCs via a roll-to-roll process. The novel rubbery selective material shows mixed-gas CO2 permeability of 930 Barrer and CO2/N2 selectivity of 44, exceeding the 2008 Robeson upper bound. The resulting TFCs yield remarkably high CO2 permeance of 4,500 GPU and CO2/N2 selectivity of 34 at 23ºC. Moreover, the TFCs exhibit not only excellent performance stability (or non-aging behavior) for 1,000 hours in the lab, but also maintain their separation properties in a 700-hour field test at the U.S. DOE’s National Carbon Capture Center using real humid flue gas.

Tran, Thien↗
DOE OSTI2024

Measurements of Pion and Muon Nuclear Capture at Rest on Argon in the LArIAT Test Beam Experiment

LArIAT is a liquid argon time projection chamber (LArTPC) experiment in a test beam at Fermilab from 2015 to 2017 to understand and characterize interactions of particles in LAr which are commonly observed in neutrino-Ar final-states. Tracks for pions and muons in LArTPCs are difficult to differentiate since both particles exhibit very similar ionization profiles for muon and pion that stop in the TPC. We are exploring unique new particle discrimination capabilities by exploiting information from small, isolated ionization depositions, referred to as "blips", reconstructed near the endpoint of stopping tracks. These blips are formed by gammas emitted when an at-rest pion or muon captures on the argon nucleus. The relatively low beam energy provided by LArIAT makes it uniquely suited for performing this demonstration. In this poster, we present an overview of event candidate selection, blip reconstruction, and background subtraction corresponding to our signal of interest, nuclear captures of pions and muons at rest inside LArIAT's TPC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Machine-Learned Force Field Modeling of Metal Organic Frameworks for CO2 Direct Air Capture

To cope with legacy greenhouse gas emissions and to achieve net-zero emissions by 2050, the U.S. Department of Energy (DOE) is funding efforts to develop direct air capture (DAC), a method for removing CO2 directly from air. Metal organic frameworks (MOFs) have been studied as DAC sorbent materials because of their structural and chemical diversity. Thermodynamic calculations using classical force fields are often used to screen MOFs for their performance in separations such as CO2 capture. Machine-learned force fields (MLFFs) can use machine learning to form quantitative relationships between a material’s chemical structure and the forces and energies predicted by more accurate quantum mechanical calculations, such as dispersion-corrected density functional theory (DFT). These descriptions of forces and energies can be used to improve the accuracy of adsorption calculations. In this work, MLFF models were developed for MOFs to achieve DFT-level accuracy for the forces and energies associated with MOF flexibility and CO2 adsorption. These methods were parametrized based on thousands of DFT calculations of CO2 in flexible MOFs and used to predict MOF structural properties as well as CO2 adsorption properties.

Findley, John↗
DOE OSTI2024

Characterization of Solid Sorbent for Direct Air Capture of CO2 using a CFD-based Methodology

Computational Fluid Dynamics (CFD) was used to investigate the CO2 capture by a novel PIM sorbent developed in National Energy Technology Laboratory (NETL) for direct air capture (DAC) applications. The CO2 adsorption kinetics used in the CFD was developed using isotherm data and CO2 breakthrough data obtained from experiments. Effect on humidity on the CO2 adsorption was also investigated and compared with the CO2 adsorption in dry conditions.

Aziz, Hossain↗
DOE OSTI2024

Techno-Economic Optimization of Fixed Bed and Moving Bed Contactors for CO2 Capture from NGCC Plants Using a Functionalized Metal-Organic Framework

Amine-appended metal–organic frameworks (MOFs) have strong potential for post-combustion CO2 capture from NGCC plants. In this work, a specific tetramine-appended MOF, Mg2(dobpdc)(3-4-3) (dobpdc4− = 4,4′-dioxidobiphenyl-3,3′dicarboxylate; 3-4-3 = N,N′bis(3-aminopropyl)-1,4-diaminobutane), is evaluated due to its superior performance compared to other candidate diamine-appended and tetraamine-appended MOFs. Techno-economic optimization is performed to minimize the cost of capture by using the Framework for Optimization, Quantification of Uncertainty, and Surrogates (FOQUS), which is capable of optimizing systems by using derivative-free optimization solvers where process models are built using numerous modeling platforms. The technical and economic performances of both fixed bed and moving bed processes are compared with state-of-the-art amine-based solvent systems.

Hughes, Ryan↗
DOE OSTI2024

Integrated Technology for Cost-Effective CO2 Capture and Formic Acid Production: Modeling, Optimization, and Economic Analysis

A novel reactive technology is being investigated that electrochemically converts CO2 into valuable chemicals, particularly formic acid. This work focuses on identifying the optimal design and operation of an integrated membrane-based CO2 capture unit with the electrochemical conversion process. In this setup, the CO2 in the flue gas permeates through a CO2-selective membrane and enters an electrolyzer to produce formic acid, creating an integrated reaction module. To refine the chemical product, gas products from the electrolyzer are directed to a pressure swing adsorption unit, while the liquid product undergoes refinement to achieve commercial-grade formic acid using reactive distillation. A membrane CO2 capture model and an electrochemical conversion model have been developed using the IDAES Integrated Platform (Institute for the Design of Advanced Energy System), facilitating rigorous flowsheet modeling and process design and optimization.

Wang, Maojian↗
DOE OSTI2024

Iodine Capture Studies of Silver Mordenite and Novel Alternative Metal Sorbents

Radioiodine is one of the radionuclides of concern when considering reprocessing of used nuclear fuel (UNF). It is expected to be released primarily in the dissolver off-gas (DOG) stream. Sorbents that target I 2 removal from a UNF processing off gas must perform efficiently under elevated temperatures in the presence of water vapor and nitrogen oxide gasses (NOx). Many studies have been conducted that examine the adsorption of iodine species in the presence of NOx gases through reduced silver-exchanged mordenite (Ag 0 Z), a zeolite mineral. This study characterizes the effects of iodine, water vapor, and nitrogen dioxide on the adsorption of I 2 by Ag 0 Z at lower temperatures suitable for comparison with novel Cu- and Bi- bearing sorbents which offer a non-RCRA alternative. When exposed to ‘harsh’ conditions such as I 2 , H 2 O, and NO 2 vapors carried by air, Cu 2 S-polyacrylonitrile (PAN) is more efficient than Ag 0 Z and all other novel sorbents, providing with 11% I capture efficiency. However, under ‘ideal’ conditions in which I 2 is carried by dry air), Ag 0 Z is more efficient than Cu 2 S-PAN and other novel sorbents, providing 74% I capture efficiency. To investigate this result and the overall performance of all sorbents tested, several characterization techniques were employed, including thermal gravimetric analysis, scanning electron microscopy – electron dispersion X-Ray spectroscopy, powder X-ray diffraction, and X-ray photoelectron spectroscopy. These techniques are discussed within this report. This document also includes a design and test plan update from Idaho National Laboratory as the next step in testing the high performing sorbents from thin-bed tests carried out by Oak Ridge National Laboratory.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Optimizing Carbon Capture, Transport, and Storage: Overcoming Challenges with Machine Learning and Cost-Benefit Analysis

Carbon Capture, Utilization, and Storage (CCUS) is a critical strategy for reducing CO₂ emissions and mitigating climate change. However, its widespread deployment faces numerous challenges across the capture, transport, and storage phases. These challenges include the technical complexity of predicting subsurface behaviors during CO₂ injection, ensuring long-term storage integrity, optimizing transportation networks, and balancing the economic and environmental trade-offs. Addressing these issues requires an integrated approach combining advanced subsurface modeling with system-level analyses to assess costs, risks, and benefits. This presentation provides an overview of studies conducted by the National Energy Technology Laboratory (NETL) to tackle these challenges. NETL’s efforts encompass cutting-edge research in subsurface fluid behavior machine learning predictions, alongside the development of innovative tools for system optimization and economic evaluation. By bridging technical expertise and strategic analysis, NETL aims to advance the deployment of CCUS technologies to support global decarbonization efforts. Presented at the Carnegie Mellon University CEE IESS Student Seminar October 4, 2024.

Shih, Chung Yan↗
DOE OSTI2025

Polar Bear™ – Innovative Capture of Storage Tank Vapors

Polar Bear™ is a patented technology developed by the Energy & Environmental Research Center (EERC) to capture storage tank vapors and eliminate methane emissions from upstream oil- and gas-producing facilities. Sparked by early commercial investment, the EERC licensed the technology and extended the intellectual property to storage tanks. Polar Bear™ is uniquely engineered and adapted to individual lower-producing facilities where there is otherwise no economic alternative for capturing tank vapors. A high number of small producing oil and gas wells are distributed across the country. The aggregate contributes to a significant volume of emissions. Because of the lack of economy of scale, gas volumes from these facilities are typically not recovered and contribute to methane emissions. Polar Bear™ provides a fit-for-purpose compression solution that addresses cost by reducing complexity with respect to conventional vapor recovery units and eliminating oil changes. Unique to Polar Bear™ is the capability to separate oxygenated gas from storage tank vapors. Storage tanks are designed to “breathe,” allowing gas to enter and escape during internal level and temperature changes. This infiltration of air into the tank headspace imparts undesirable oxygen content with respect to pipeline gathering. Polar Bear™ separates the vapor stream, allowing oxygen-rich gas to be used as fuel on-site while recovering the liquids-rich portion of the gas where oxygen content is minimized. A prototype system was tested to verify process models, evaluate operational performance, and advance the technology readiness level from 5 to 6. Results provide a good match between experimental measurements and process models, indicating the models are useful for future scale-up and field design. Various mixtures of nitrogen and liquefied petroleum gas were tested to understand the mass balance of nitrogen and how it relates to the potential control of oxygen content. Findings indicate that less than 2000 ppm of oxygen is likely to remain in the liquid portion of the gas in field applications. The research and development prepare the technology for field implementation to eliminate routine and fugitive methane emissions from storage tanks.

02 PETROLEUM↗