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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Polymers in direct air capture: a mini review

The urgent need to mitigate climate change has intensified interest in direct air capture (DAC) technology, which targets extracting carbon dioxide (CO2) directly from the atmosphere. Among the various sorbents used in DAC, polymers have emerged as a promising solution, either as active sorbents or as structural supports for active DAC materials, due to their customizable properties, scalability and low cost. This mini-review investigates the latest trends in polymer-based materials for DAC and identifies critical research gaps, such as the need for thorough lifecycle assessments and in-depth studies on the degradation of polymeric materials. It also outlines future directions, emphasizing the importance of developing cost-effective, scalable and durable polymers that can perform efficiently across diverse climatic conditions, including the unique challenges presented by cold weather regions abundant in renewable energy. This mini-review aims to inform ongoing efforts in the design and utilization of polymeric sorbents, providing insights that could guide the development of economically viable and environmentally sustainable DAC technologies.

climate change↗
DOE OSTI2022

Trace Compound Analysis in TATB by Liquid Chromatography coupled with Spectroscopic and Spectrometric Detection

Accurate quantitation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is important because of its strategic use as an energetic material. A purity determination is also needed for the proper assessment of performance. A fast and sensitive method has been developed to measure the purity of TATB in polymer-bonded materials. The target material is extracted with DMSO, and the extract is separated on a reversed-phase chromatography column. The column effluent is monitored by diode array detection (DAD) at 354 nm. The characteristic UV-Vis response and retention time identify the individual components when compared to pure compound standards. The chemical structures of compounds with no pure standards available have been determined by high-resolution mass spectrometry (MS) and MS/MS. The major component, TATB, along with 1-chloro-3,5-dinitro-2,4,6-triaminobenzene (T4A) and mono-benzofuroxan (FX1) were quantitated directly from pure compound standards. Several trace concentration components, mono-benzofurazan (F1), 1-bromo-3,5-dinitro-2,4,6-triaminobenzene (Br-T4A), 2,4,6-triamino-1-nitroso-3,5-dinitrobenzene (MN-TATB), 2,4,6-triamino-1-hydroxyl-3,5-dinitrobenzene (HO-TATB), and 2,4,6-triamino-1-nitrile-3,5-dinitrobenzene (Nitrile-TATB) were also detected and structures verified via MS/MS. Approximate concentrations were determined using calibrations from standards of similar structures. Additional trace components were also detected by MS. Contained herein are the results of analyses of TATB-based materials characterized for polymer-bonded formulations compared to different preparations of TATB. The accuracy, details, and process of developing this method are reported here.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Study of quark and gluon jet substructure in Z+jet and dijet events from pp collisions

Measurements of jet substructure describing the composition of quark- and gluon-initiated jets are presented. Proton-proton (pp) collision data at √s = 13 TeV collected with the CMS detector are used, corresponding to an integrated luminosity of 35.9 fb -1 . Generalized angularities are measured that characterize the jet substructure and distinguish quark- and gluon-initiated jets. These observables are sensitive to the distributions of transverse momenta and angular distances within a jet. The analysis is performed using a data sample of dijet events enriched in gluon-initiated jets, and, for the first time, a Z+jet event sample enriched in quark-initiated jets. The observables are measured in bins of jet transverse momentum, and as a function of the jet radius parameter. Additionally, each measurement is repeated applying a “soft drop” grooming procedure that removes soft and large angle radiation from the jet. Using these measurements, the ability of various models to describe jet substructure is assessed, showing a clear need for improvements in Monte Carlo generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Episodic hydrocarbon charge in tight Mississippian reservoirs of Central Oklahoma, USA: Insights from oil inclusion geochemistry

The unforeseen discovery of substantial hydrocarbons in ultra-tight Mississippian reservoirs in Oklahoma testifies to the complexity of the hydrocarbon charge across the flanks of the Nemaha Uplift. Based on crude oil and fluid-inclusion chemistry, the hydrocarbons at the western side of the Nemaha Uplift consist of highly-mature, thermally-cracked and less-mature uncracked hydrocarbons (0.50–1.4% calculated vitrinite reflectance, R c ). The oils are less mature on the eastern flank of the structure (0.5–0.7% R c ). Based on distributions of biomarkers and higher diamondoid (composed of three adamantane cages or more) distributions, the hydrocarbons entrapped within reservoir fluid-inclusions are sourced from the Woodford Shale and also from Mississippian carbonates. To our knowledge, this is the first work to describe oil correlations using diamondoids inside fluid inclusions. Petroleum compositions in the ultra-tight Mississippian reservoirs are highly variable, which highlights the need for a thorough assessment of mechanisms controlling charge. By integrating oil and fluid inclusion geochemistry and fluid-inclusion microthermometry with basin modeling, we show that the primary controls are: (1) proximity to the source-rock kitchen(s), (2) episodic charging from Permian through Cretaceous time, and (3) mixing.

58 GEOSCIENCES↗
DOE OSTI2026

Development of a BISON validation case for the TRISO transient irradiations in NSRR using effective heat capacity methods

The current tristructural isotropic (TRISO) fuel assessment and validation database in BISON primarily covers steady- state irradiation and high-temperature furnace testing. Transient assessment cases are potentially needed to support U.S. industry efforts in designing and deploying commercial reactors using TRISO fuels. Historical transient tests in- volving TRISO fuels used highly conservative conditions compared to the typical high-temperature gas-cooled reactor accident scenarios. Despite this, modeling historical transient tests is fundamental for evaluating BISON’s predictive capabilities, adapting material properties for high-temperature and high-particle-power regimes, and developing a sys- tematic validation approach for TRISO transient applications. This work developed a 1D model of transient experiments carried out at the Nuclear Safety Research Reactor using BISON. BISON’s predictions of energy deposition, UO 2 melting onset, and molten volume fractions are compared against experimental measurements. Melting was modeled using an effective specific heat capacity model for UO 2 . We found that BISON’s predictions are in reasonable agreement with experimental data for low-energy-deposition cases, and that BISON overpredicts melting at higher energy depositions. We also discuss the potential causes of discrepancies between the simulated and measured results and propose ways to further develop the model. Although these simulations used conservative conditions compared to those expected for actual TRISO-fueled reactors, they extended the range of conditions reflected in the data in the existing BISON database for TRISO fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Debunking common myths in coastal circulation modeling

Despite tremendous progress in algorithm development, computational efficiency and transition into operations over the past two decades, coastal modeling still lacks scientific rigor due to proliferation of many ‘gray’ areas related to various modeling choices made by modelers. Here, in this paper, we propose some guiding principles for the modeling community to improve performance, and we also debunk commonly held myths that make the coastal modeling lack rigor. Using our own experience in developing seamless cross-scale unstructured-grid based models for the past two decades, we describe in unprecedented detail the end-to-end modeling process (i.e., from digital elevation models (DEMs) to mesh generation to post analysis), and demonstrate that defensible modeling is within reach for any end user by following three guiding principles: (1) Bathymetry is a first order forcing in coastal domains and thus should be respected in all aspects of modeling; (2) Oceanographic processes are driven across multiple spatial scales and so models should enable appropriate resolution as needed; and (3) Model assessment should focus on physical processes. Through qualitative and quantitative model assessments, we demonstrate the fundamental role played by bathymetry/topography as embedded in DEMs in making the results defensible, which is unfortunately glossed over in many modeling studies. Focusing on process-based assessment simplifies the calibration process. A major conclusion of this work is that model developers and operators should maximize the scientific rigor for in silico oceanography by avoiding some common pitfalls that rely on error compensation at the expense of representation of physical system processes. We present some best practice procedures for defensive and trustworthy numerical modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Influences of North Pacific Ocean Domain Extent on the Western U.S. Winter Hydroclimatology in Variable-Resolution CESM

Variable-resolution global climate models (VRGCMs) are a dynamical downscaling method that can reach spatiotemporal scales needed for regional climate assessments. Over the years, several users of VRGCMs have assumed where the location and extent of the refinement domain should be based on knowledge of the prevailing storm tracks and resolution dependence of important regional climate processes (e.g., atmospheric rivers [ARs] and orographic uplift), but the effect of high-resolution domain size and extent on the simulation of downstream hydroclimatic phenomena has not been systematically evaluated. Here, we use variable resolution in the Community Earth System Model (VR-CESM) to perform such a test. To do this, three VR-CESM grids were generated that span the entire, two thirds, and one third of the North Pacific and evaluated for a 30-year climatology using Atmospheric Model Intercomparison Project protocols. Simulations are compared with reanalysis products offshore (fifth-generation of the European Centre for Medium-Range Weather Forecasts atmospheric reanalysis [ERA5]) and onshore (Livneh, 2015, https://doi.org/10.1038/sdata.2015.42, and Parameter-elevation Regressions on Independent Slopes Model [PRISM]) of the western United States. The westward expansion of refinement domain influenced integrated vapor transport (IVT), which was generally high biased but minimally impacted AR characteristics. Due to slight differences in landfalling AR counts in the western United States, California winter precipitation generally improved with westward expansion of the refinement domain. Western U.S. mountain snowpack and surface temperatures were insensitive to refinement domain size and were more influenced by changes in topographic resolution and/or land surface model version. Here, given minimal dependence of simulated western U.S. hydroclimate on refinement domain size over the North Pacific, we advise future VR-CESM studies to focus grid resolution on better resolving land surface heterogeneity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Energy, power, and infrastructure demands from electrifying airport ground support equipment at United States airports

As the airline industry seeks to reduce costs and transition to clean energy, electric ground support equipment is emerging as a favorable option. The integration of electric ground support equipment into airport operations requires careful planning for vehicle deployment, charging infrastructure, and grid impacts. We develop a flexible, bottom-up modeling framework to assess energy and infrastructure needs across more than 300 U.S. airports. Our analysis estimates site-specific power and energy demand, equipment counts by type, charger requirements, and costs. Here we quantify the magnitude of new electrical loads created by the electrification of airport ground support equipment, finding that peak power demand at the largest airports can reach up to 20 megawatts, with annual electricity consumption approaching 51,000 megawatt-hours. We further show that behind-the-meter battery energy storage systems and solar photovoltaic systems can reduce peak load and lower total system costs by as much as 10 million dollars.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Probing elemental speciation in hydrochar produced from hydrothermal liquefaction of anaerobic digestates using quantitative X-ray diffraction

Valorization of hydrochar, a solid byproduct from hydrothermal liquefaction (HTL) of anaerobically-digested agriculture wastes (digestates), requires fundamental knowledge of elemental speciation. This study investigated the effects of reaction temperatures (320–360 °C), digestate pH (3.5–8), and digestate cellulose-to-lignin ratios (0.2–1.8) on the speciation (chemical form) and composition of organics and inorganics in hydrochars produced during hydrothermal treatment. Quantitative X-ray diffraction (XRD) method was the primary technique used to characterize hydrochars. The comprehensive XRD pattern processing including the Rietveld refinement protocols demonstrated that the organic phase was comprised of mostly crystalline monocyclic, heterocyclic, and polycyclic aromatics with diverse aliphatic and aromatic substituents, while the inorganic mineral phase consisted of calcium-phosphates, magnesium-phosphates, calcium-carbonates, and magnesium-carbonates. Further, XRD results were validated by the elemental yields of products and the distribution of chemical functionalities measured using solid-state nuclear magnetic resonance (NMR) spectroscopy. The characterization data were used to evaluate proposed mechanistic pathways using compositional analysis of biocrude and aqueous-phase coproducts. Mechanistic pathways developed in the study suggested that benzoic acids, phenols, benzaldehydes, phenolic aldehydes, α-dicarbonyls, and α-hydroxycarbonyls were responsible for the precipitation of organics through various reactions depending on operating conditions. Meanwhile, the formation of inorganic compounds appeared to be consistently represented by reactions including dehydration, hydrolysis, endergonic reduction, and structure rearrangement of native minerals in the digestates. This study provides basic knowledge needed to create and assess potential elemental speciation pathways. In addition, the results of the study facilitate the specification of process conditions to optimize targeted utilization routes of hydrochar for more economically-feasible and sustainable HTL processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reliable operation of Cr 2 O 3 :Mg/ $β$-Ga 2 O 3 p–n heterojunction diodes at 600 °C

Beta gallium oxide (β-Ga 2 O 3 )-based semiconductor heterojunctions have recently demonstrated improved performance at high voltages and elevated temperatures and are, thus, promising for applications in power electronic devices and harsh environment sensors. However, the long-term reliability of these ultra-wideband gap (UWBG) semiconductor devices remains barely addressed and may be strongly influenced by chemical reactions at the p–n heterojunction interface. Here, we experimentally demonstrate operation and evaluate the reliability of Cr 2 O 3 :Mg/β-Ga 2 O 3 p–n heterojunction diodes during extended operation at 600 °C, as well as after 30 repeated cycles between 25 and 550 °C. The calculated pO 2 -temperature phase stability diagram of the Ga-Cr-O material system predicts that Ga 2 O 3 and Cr 2 O 3 should remain thermodynamically stable in contact with each other over a wide range of oxygen pressures and operating temperatures. The fabricated Cr 2 O 3 :Mg/β-Ga 2 O 3 p–n heterojunction diodes show room-temperature on/off ratios >104 at ±5 V and a breakdown voltage (V Br ) of -390 V. The leakage current increases with increasing temperature up to 600 °C, which is attributed to Poole–Frenkel emission with a trap barrier height of 0.19 eV. Over the course of a 140-h thermal soak at 600 °C, both the device turn-on voltage and on-state resistance increase from 1.08 V and 5.34 mΩ cm 2 to 1.59 V and 7.1 mΩ cm 2 , respectively. This increase is attributed to the accumulation of Mg and MgO at the Cr 2 O 3 /Ga 2 O 3 interface as observed from the time-of-flight secondary ion mass spectrometry analysis. These findings inform future design strategies of UWBG semiconductor devices for harsh environment operation and underscore the need for further reliability assessments for β-Ga 2 O 3 -based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An industrial policy framework for transforming energy and emissions intensive industries towards zero emissions

The target of zero emissions sets a new standard for industry and industrial policy. Industrial policy in the twenty-first century must aim to achieve zero emissions in the energy and emissions intensive industries. Sectors such as steel, cement, and chemicals have so far largely been sheltered from the effects of climate policy. A major shift is needed, from contemporary industrial policy that mainly protects industry to policy strategies that transform the industry. For this purpose, we draw on a wide range of literatures including engineering, economics, policy, governance, and innovation studies to propose a comprehensive industrial policy framework. The policy framework relies on six pillars: directionality, knowledge creation and innovation, creating and reshaping markets, building capacity for governance and change, international coherence, and sensitivity to socio-economic implications of phase-outs. Complementary solutions relying on technological, organizational, and behavioural change must be pursued in parallel and throughout whole value chains. Current policy is limited to supporting mainly some options, e.g. energy efficiency and recycling, with some regions also adopting carbon pricing, although most often exempting the energy and emissions intensive industries. An extended range of options, such as demand management, materials efficiency, and electrification, must also be pursued to reach zero emissions. New policy research and evaluation approaches are needed to support and assess progress as these industries have hitherto largely been overlooked in domestic climate policy as well as international negotiations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Mean Inner Potential of Liquid Water

Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.

Yesibolati, Murat N.↗
DOE OSTI2022

Assessing the stability of noisy quantum computation

Quantum computation has made considerable progress in the last decade with multiple emerging technologies providing proof-of-principle experimental demonstrations of such calculations. However, these experimental demonstrations of quantum computation face technical challenges due to the noise and errors that arise from imperfect implementation of the technology. Here, we frame the concepts of computational accuracy, result reproducibility, device reliability and program stability in the context of quantum computation. We provide intuitive definitions for these concepts in the context of quantum computation that lead to operationally meaningful bounds on program output. Our assessment highlights the continuing need for statistical analyses of quantum computing program to increase our confidence in the burgeoning field of quantum information science.

Dasgupta, Samudra↗
DOE OSTI2023

How Time Inefficient and Uncertain are Paratransit Trips Compared to Car Trips

The Americans with Disabilities Act (ADA) stipulates that paratransit mobility be comparable to public transit. However, with just under 5% of the population relying on public transportation, transit is not a representative benchmark. To highlight this inequality, we compare trip times by paratransit to counterfactual car-based travel. Using 2.5 years of demand data from the Denver Regional Transportation District's Access-a-Ride service, we compare paratransit trip times to counterfactual car-based trips for the same origin-destination pairs, controlling for various trip characteristics. Compared to car travel, the findings indicate high variability and uncertainty associated with paratransit trip times. For the same origin-destination pairs, the mean paratransit trip time is almost twice that of the mean car travel time, with a standard deviation for paratransit trip time fourfold that of the standard deviation for car trip time. For perspective, traveling an average of 10 mi during the 7-8 a.m. morning peak can take about 16 min by car with almost no variability, while that same trip can take an average of 25 min by paratransit, with 5% of trips being outside the 95% confidence interval and thus unpredictable. Paratransit trip time inefficiency tends to be particularly worse for females; older adults; those making trips between 9 and 11 a.m.; cash-paying customers; those making shorter trips; and those traveling during inclement weather, including cold temperatures. These findings suggest a need to re-assess using public transit as a benchmark for paratransit supply as regulated by the ADA.

accessible transportation and mobility↗
DOE OSTI2020

INL Waste Management Program Assessment Report

This is an INL annual internal waste management program assessment report that will need to be sent to NNSS for review. The report includes a summary and completed checklists based on the NNSS Waste Acceptance Criteria.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

SAM Co-Development to Support Fluoride-salt-cooled High-temperature Reactor Design and Licensing (CRADA 2018-18177 Final Report)

This project aims to raise the SAM code's technical and commercial maturity level to enable the Kairos Power ("Kairos") to use SAM to support its KP-FHR design analysis and licensing application. Argonne National Laboratory ("Argonne") has actively developed and maintained SAM, a modern system-level analysis tool for advanced nonlight water reactors safety analysis. Kairos is currently actively pursuing development of an FHR design and associated technology, and consequently requires a pedigreed safety analysis tool. The purpose of this project is to increase the maturity of the SAM code for the modeling and simulation of the KP-FHR design, thus enabling its use in safety analyses that support licensing application. Argonne will primarily be responsible for software design, development, and testing; while Kairos will be responsible for software requirements, assessment of software capabilities, needs, gaps, and priorities, and development of proprietary models. The research and development activities for the joint SAM development project include: a series of identification and prioritization studies on design characteristics, event sequences, relevant phenomena, and software capabilities; SAM capability enhancements for specific KP-FHR systems and components; performing code verification and validations; integrating uncertainty quantification (UQ), model calibration, and sensitivity analysis (SA) techniques in safety analyses; and raising the software quality rigor level for commercial-grade applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Oppenheimer Science and Energy Leadership Program (OSELP) Software and Computing Strategy for the Future of Weapons Physics Applications [Slides]

Mission drivers at the national level are evolving to accommodate a broadening landscape. The U.S. faces a rapidly evolving, threat-based environment with an associated expansion of national-level priorities. Priorities continue to include all aspects of sustaining the existing, aging stockpile. Now, however, we must also include consideration of options for a future deterrent, including efficacy of the deterrent against new threats (threat assessment and response), capability needs associated with new materials and modern manufacturing and production processes, and efficiency requirements for a modern workflow for weapons design. Executing this complex strategy will come with challenges. We must execute our current mission, while we prepare for future missions and an increasingly uncertain future.

42 ENGINEERING↗