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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unraveling pH-Dependent Changes in Adsorption Structure of Uranyl on Alumina (012)

Mitigating uranium transport in groundwater is imperative for ensuring access to clean water across the globe. Here, in situ resonant anomalous X-ray reflectivity is used to investigate the adsorption of uranyl on alumina (012) in acidic aqueous solutions, representing typical U VI concentrations of contaminated water near mining sites. The analyses reveal that U VI adsorbs at two distinct heights of 2.4-3.2 and 5-5.3 angstrom from the surface terminal oxygens. The former is interpreted as the mixture of inner-sphere and outer-sphere complexes that adsorb closest to the surface. The latter is interpreted as an outer-sphere complex that shares one equatorial H 2 O with the terminal surface oxygen. With increasing pH, we observe an increasing prevalence of these outer-sphere complexes, indicating the enhanced role of the hydrogen bond that stabilizes adsorbed uranyl species. Finally, the presented work provides a molecular-scale understanding of sorption of uranyl on Al-based-oxide surfaces that has implications for environmental chemistry and materials science.

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

Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

Hydrogen utilization in clean energy technologies is challenged by limited storage and transport within materials, owing to the complex hydrogen kinetics at interfaces [1]. Understanding these interfacial mechanisms at the nanoscale is crucial for developing improved materials for hydrogen applications, particularly proton-conducting fuel cells (PCFCs). Vertically aligned nanocomposites (VANs) grown by pulsed laser deposition (PLD) offer a unique platform for investigating the interfacial effects on hydrogen transport due to their well-defined interfaces parallel to the direction of charge transport [2-4]. To investigate hydrogen transport, the two phases within the VANs were chosen as BaZr 0.9 Y 0.1 O 3-x (BZY), a known proton conductor, and Pr 0.1 Ce 0.9 O 2-x (PCO), a mixed ionic-electronic conductor [5]. This PCO-BZY VANs architecture allows the investigation of how the interface between a proton conductor and a mixed conductor influences hydrogen transport. However, because of the small size of hydrogen, it is difficult to discern the nature of its interactions with interfaces from bulk measurements at the macroscale, thus necessitating nanoscale measurements [6]. Electron energy loss spectroscopy (EELS) allows for nanometer-resolution probing of the local atomic structure and chemistry at the BZY/PCO interface. In this study, plan-view analysis of PCO-BZY VANs films was employed to characterize the structure and phase distribution of the VANs and investigate the interface between the nanostructures. The films were imaged using scanning electron microscopy (SEM) in the Hitachi S-4800 SEM, collecting secondary electron images using mixed upper and lower detectors. Then, plan-view transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) EELS were employed using a JEOL ARM300 microscope operated at 300kV with a Gatan K3 GIF Continuum detector to study the distribution of the BZY and PCO phases through the film. As a result, spectrum images were acquired at a dispersion of 0.18eV per channel and denoised afterward by principal component analysis (PCA) method.

Griffin, Elizabeth [Northwestern University, Evans↗
DOE OSTI2023

Towards Automated Design of Polymer Precursors for Rational Design of Porous Carbon-Materials [Slides]

Overview: Developed capability enables easy building of realistic polymer structures and a straightforward evaluation of polymer properties using different computational approaches. Topics of relevance to LANL mission: fundamental understanding of gas, vapor, ion, and liquid transport in polymer materials with applications in carbon capture, clean energy, hydrogen production (e.g., fuel cells and electrolyzes); Toxic element removal; Design of polymer binders in explosives. Workforce Development: Project provided a valuable opportunity to for a PI to manage a LANL research effort, expand collaborations (e.g., MPA division), and establish research topic that aligns with the LANL mission; The capability built was highlighted in the proposal "Versatile Polyolefins-Based Ionomer Platform for Next Generation Polymer Electrolyte Membrane and Hydrogen Production" lead by InnoSense LLC in collaboration with MPA-1 and T-1 as a response to DOE's call DE-FOA-0003003: Science Foundations for Energy Earthshots.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An On-Demand Electric Transit Case Study of New Rochelle, New York

This work explores the extent to which an on-demand mobility service utilizing lightweight electric vehicles (EVs) provides community and sustainability benefits in New Rochelle, New York. Travel and survey data from September 2019 through 2023 are used to describe the system and estimate impacts on travelers. The system was found to be used more by women (nearly 60%) and younger demographics (>65% under the age of 42), with peak use in the middle of the day and a grocery store as a top origin and destination. The service is utilized primarily for short trips (86% under 2 miles), and the small, right-sized EVs have carbon dioxide emissions associated with charging the fleet that are roughly one-quarter of the fleet emissions of conventional hybrid vans and nearly 50 times less than a fleet of diesel buses. Mapping current socio-spatial dynamics of travel demand can inform equity performance, as well as assist future planning and service area development and possible extensions to similar smaller, lower-density environments that are nearby and connected to major metropolitan areas. The findings in this case study suggest on-demand electric transit may be a significant and growing space for advancing clean and highly valued public mobility services. Sustainable public transport interventions that consider right-sized, electric, on-demand vehicles can help achieve improved accessibility and reduce energy use and greenhouse gas emissions. This work was presented at the Transportation Research Board (TRB) 2025 Annual Meeting on January 7, 2025.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2024

Baseload Hydrogen Production Using Nuclear and Renewable Energy: A Comparative Analysis

As the global push towards net zero carbon gains momentum, the demand for clean hydrogen is expected to grow rapidly across various sectors, including transportation, industries and electrical grids. To meet this growing hydrogen demand, baseload hydrogen production facilities capable of providing a continuous and reliable supply of hydrogen will be necessary throughout the world. This paper explores the technoeconomic feasibility of establishing baseload electrolytic hydrogen production facilities in the United States, utilizing different clean generation resources. The key criteria include maintaining a consistent supply of clean hydrogen without putting baseload demand stress to already vulnerable power grid. In order to do that, the proposed facilities will host onsite clean power generation and energy storage technologies. The proposed facilities can capitalize on available investment and production incentives and have ability to export excess electricity to the utility at a bulk price. Several scenarios are considered based on the clean energy resources to support the electrolysis process including light water reactors (LWRs) currently evaluating retirement options, wind, solar PVs, and advanced small modular reactors (SMRs). For each scenario, a hypothetical hydrogen production facility is considered in a location in the US where the primary generation resource is at its peak strength. Comparative analysis in this paper reveal that the nuclear power plants are most economically viable for baseload hydrogen production facilities, outperforming renewable-based facilities with significantly lower levelized cost of hydrogen (LCOH). Even under best-case scenarios for resource availability, incentives and export prices, renewable-based facilities face challenges due to daily and seasonal generation variability, resulting in large installation sizes and lower capacity factors. Among renewable-based facilities, complementarity hybrids, providing more stable power supply, demonstrate superior economics compared to facilities based on a single renewable technology. While LWR-powered facility can achieve a negative LCOH with incentives, SMR-powered facilities can provide economic hydrogen supply with LCOH below $1/kg with high temperature electrolysis option. The analysis in this paper underscores the pivotal role of nuclear energy in the future hydrogen economy.

08 - HYDROGEN↗
DOE OSTI2026

Incorporation of Ion Transport Chains into Multivariate MOF for Improved Water Oxidation

The climate crisis demands clean energy technologies to cut CO 2 emissions from fossil fuels. Hydrogen fuel cells and solar-driven CO 2 reduction are promising, but both rely on efficient water oxidation. Polypyridyl ruthenium complexes are active catalysts for water oxidation; however, they exhibit poor stability and recyclability. Our group improved performance by embedding these complexes into metal−organic frameworks (MOFs). As water oxidation is pH-dependent, proton management further enhances reactivity. To address the issue, we introduced proton transfer pathways into the MOF structure. Specifically, we incorporated −SO 3 H groups onto the biphenyl linkers of UiO-67 loaded with [Ru(tpy)(dcbpy)OH 2 ]PF 6 catalyst (where tpy = 2,2′:6′,2″-terpyridine; dcbpy = 5,5-dicarboxy-2,2′- bipyridine). The sulfonated MOF exhibited a 2.5-fold increase in oxygen evolution compared to the nonsulfonated analogue. After 1 h of electrolysis, the sulfonated MOF exhibited a turnover number of 25 for oxygen evolution reaction compared to 10 for the native MOF, demonstrating the benefits of built-in proton management.

Catalysts↗
DOE OSTI2025

Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes

Hydrogen bonded electrolytes that exhibit accelerated proton transport via sequential reactive hops have drawn interest for their promise in clean energy applications. Molecular dynamics simulations of these electrolytes offer the opportunity to uncover microscopic mechanistic details that could be used to design and tune the properties of candidate electrolyte technologies. However, accurately modeling the proton transfer reactions and transport properties that give rise to high charge conductivites in these electrolytes proves computationally challenging because of the need to perform lengthy condensed phase simulations, treating both the electronic and nuclear degrees of freedom quantum mechanically. In this paper, we demonstrate that such a modeling task can be efficiently achieved with the use of density functional theory (DFT)-trained machine learning potentials (MLP) to accelerate path integral molecular dynamics (PIMD) simulations. We highlight the practical utility of this approach by using it to benchmark how closely PIMD simulations employing different DFT exchange–correlation functionals reproduce the composition-dependent densities, diffusion coefficients, and electrical conductivities of mixtures consisting of imidazole and levulinic acid. Even with the speedup afforded by our MLPs, PIMD simulations remain quite expensive. Furthermore, in order to render PIMD more computationally tractable, we introduce and benchmark the accuracy of a ring polymer contraction approach that leverages a computationally efficient short-range MLP to accelerate our PIMD simulations by an additional factor of four.

Chemical bonding↗
DOE OSTI2023

Green Hydrogen: A Briefing for Land Managers

Decarbonization goals for the U.S. are emphasizing reliance on clean hydrogen produced from renewable resources. Hydrogen can be produced by splitting water, stored, transported, and converted to energy or chemicals. These activities require land, water, and energy. This fact sheet provides insight for federal and state land managers on the resources required to facilitate clean hydrogen production and related activities.

electrolysis↗
DOE OSTI2020

How magnetic field can transform a superconductor into a Bose metal

Abstract We discuss whether a simple theory of superconducting stripes coupled by Josephson tunneling can describe a metallic transport, once the coherent tunneling of pairs is suppressed by the magnetic field. For a clean system, the conclusion we reached is negative: the excitation spectrum of preformed pairs consists of Landau levels, and once the magnetic field exceeds a critical value, the transport becomes insulating. As a speculation, we suggest that a Bose metal can exist in disordered systems provided that the disorder is strong enough to localize some pairs. Then the coupling between propagating and localized pairs broadens the Landau levels, resulting in a metallic conductivity. Our model respects the particle–hole symmetry, which leads to a zero Hall response. And intriguingly, the resulting anomalous metallic state has no Drude peak and the spectral weight of the cyclotron resonance vanishes at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Clean Cities: A Model of Collaborative Technology Innovation Built Over 30 Years

The Clean Cities Coalition Network is an example of successful government-sponsored efforts to reduce petroleum use and facilitate collaborative governance across sectors and levels of government within the transportation sector. In 1993, under what is now the Vehicle Technologies Office (VTO), the U.S. Department of Energy (DOE) established Clean Cities in response to a requirement in the Energy Policy Act (EPAct) of 1992 to implement voluntary alternative fuel deployment activities. VTO's Technology Integration Program is responsible for the Clean Cities Coalition Network and many other activities. DOE created a collaborative governance effort that has translated higher-level policy goals into multiple local collaborative practices for more than 30 years.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Impact of US SO 2 Emission Reductions Between 1970 and 2010 on Seasonal Sulfate Aerosol Burden and Radiative Forcing Over the North Atlantic

Sulfate burden over the North Atlantic Ocean (NATL) exhibits strong seasonality despite no seasonality in anthropogenic sulfur dioxide (SO 2 ) emissions. However, the seasonality of sulfate aerosols over NATL has decreased since 1970, likely due to a reduction in the United States (US) SO 2 emissions following the Clean Air Act of 1970. We performed atmospheric chemistry and transport simulations to assess the impact of changing US SO 2 emissions between 1970 and 2010 on NATL sulfate burden and radiative forcing. United States SO 2 emission reductions weakened the seasonality in NATL sulfate burden by ∼17%, primarily due to a decrease in chemical production and transport in summer. These emission reductions caused a summertime radiative forcing (∼2 W m −2 ) twice as large as the wintertime forcing. Our findings highlight the complex, season-dependent responses of sulfate burden and radiative effects to regional emission changes.

North Atlantic↗
DOE OSTI2024

MR13A-3183: Microbial and Geochemical Characterization of Groundwater: Implications for Underground Hydrogen Storage Leakage

Underground hydrogen storage (UHS) in geological formations is a key element of the clean energy transition as it enables the decarbonization of the transportation and industrial sectors by decoupling hydrogen production and storage. UHS has many benefits, including low cost, much wider availability, large storage capacity, well-established infrastructure, and increased safety because of geological sealing capabilities. However, the impact of hydrogen (H2) biogeochemical interactions in the presence of subsurface microorganisms is largely neglected from UHS perspectives. These interactions might affect the effectiveness of storage and can even cause H2 to leak into the shallow aquifers. Leakage of H2 into groundwater can change the geochemistry and induce several microbial-driven processes. Microorganisms, such as sulfate-reducers, are naturally abundant in groundwater and consume H2 to produce hydrogen sulfide (H2S), which can contaminate the freshwater drinking groundwater and cause damage to infrastructure. Hydrogen leakage can also trigger microbial reactions responsible for metal mobility, which can impact the water quality. However, the kinetics of these reactions and the temporal impact of hydrogen leakage in groundwater are still unknown. Therefore, a time series hydrogen-groundwater interaction experiment was conducted, and the changes in fluid chemistry and headspace gas composition will be analyzed along with DNA sequencing results to understand the extent and kinetics of biogeochemical reactions that occur if hydrogen leaks into groundwater. In the experiments, Ultra High Purity (UHP) hydrogen gas will be injected into glass vials with groundwater samples, for a designated time period. For each glass-sealed vial, 16S rRNA gene sequencing, IC, ICP-MS, and GC-TCD will be performed. The experiments provide insights into plausible impacts of hydrogen leakage into shallow drinking water aquifers.

Clark, Allison [West Virginia University (WVU)]↗
DOE OSTI2024

Analysis Program (2023 Annual Progress Report)

This document summarizes the progress of VTO Analysis projects supported during the fiscal year 2023. The VTO Analysis Program supports mission-critical technological, economic, and interdisciplinary analyses to assist in prioritizing VTO technology investments and to inform research portfolio planning. These efforts provide essential vehicle and market data, modeling and simulation, and integrated and applied analyses, using the unique capabilities, analytical tools, and expertise resident in the DOE’s national laboratory system. VTO Analysis projects also demonstrate additional capabilities and expertise provided by research partnerships that may include academia, the private sector, and non-profit organizations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Impact of Tree Age and Anatomical Fraction on Forest Residue Pyrolysis and Hydrotreating

Utilization of cost-advantaged biomass and waste resources to produce clean, domestic biofuels will be a key factor in decarbonizing transportation in the United States. This study investigates how the distribution of anatomical fractions (stem wood, bark, needles, branches) from pine forest residues of different ages impacts pyrolysis and hydrotreating processes, including product composition, carbon efficiency, economics, and overall sustainability. Commercially sourced 13- and 23-year-old loblolly pine residues were chosen to represent available resources; whole tree thinnings, and tops and branches from merchantable timber, respectively. Detailed characterization of the residue samples, product distributions, bio-oil, char, and gas characterization data are presented for 13 experiments, including the individual fractions, blends, and air-classified samples to reduce ash content. Pyrolysis mass balances averaged 97 +/- 3%. As expected, bio-oil yields were lower for the bark, needles, and blends with high proportions of these (53-56% dry basis), and highest for the debarked stem wood (67-71% dry basis). Lower yields were attributed to the high ash content of the needles, but also to the high lignin content in the bark (>50%), which is hypothesized to have led to increased char formation during pyrolysis. Higher-oil yield was generally correlated with total volatiles, hydrogen, oxygen, glucan, and mannan; somewhat correlated with xylan and acetyl content; and negatively correlated with total carbon, fixed carbon, nitrogen, sulfur, and extractives. Air classification of the residues was effective in reducing ash content (1.5% to 0.64%), extractives (~7% to 2%), and sulfur (0.04% to 0.02%), resulting in a small increase in yield, a significant increase in the GC-detectable proportion of oil (27% to 34%) and a net economic benefit. These experimental results were used to conduct technoeconomic and life cycle analyses, which are also summarized here.

biofuels↗
DOE OSTI2021

Sustainable Campus with PEV and Microgrid

Market penetration of electric vehicles (EVs) is gaining momentum, as is the move towards increasingly distributed, clean and renewable electricity sources. EV charging shifts a significant portion of transportation energy use onto building electricity meters. Hence, integration strategies for energy-efficiency in buildings and transport sectors are of increasing importance. This paper focuses on a portion of that integration: the analysis of an optimal interaction of EVs with a building-serving transformer, and coupling it to a microgrid that includes PV, a fuel cell and a natural gas micro-turbine. The test-case is the Nanyang Technological University (NTU), Singapore campus. The system under study is the Laboratory of Clean Energy Research (LaCER) Lab that houses the award winning Microgrid Energy Management System (MG-EMS) project. The paper analyses three different case scenarios to estimate the number of EVs that can be supported by the building transformer serving LaCER. An approximation of the actual load data collected for the building into different time intervals is performed for a transformer loss of life (LOL) calculation. The additional EV loads that can be supported by the transformer with and without the microgrid are analyzed. The numbers of possible EVs that can be charged at any given time under the three scenarios are also determined. The possibility of using EV fleet at NTU campus to achieve demand response capability and intermittent PV output leveling through vehicle to grid (V2G) technology and building energy management systems is also explored.

Singh, Reshma↗
DOE OSTI2024

Zero Emission Cargo Transport (ZECT) II Demonstration: South Coast Air Quality Management District (Final Report)

The South Coast Air Quality Management District (South Coast AQMD), California Air Resources Board (CARB) and Southern California Association of Governments (SCAG) — the agencies responsible for preparing the State Implementation Plan required under the federal Clean Air Act — have agreed that attainment of federal air quality standards for the region will require a transition to the broad use of zero and near-zero emission energy sources in cars, trucks and other equipment. Accordingly, the 2012 South Coast AQMD Air Quality Management Plan, the SCAG 2012 Regional Transportation Plan, and the “Vision for Clean Air: A Framework for Air Quality and Climate Control Planning” all identify the need to immediately enact a phasing in of zero and near-zero emission technologies to meet air quality goals. In 2014, South Coast AQMD was awarded grant funding under the US Department of Energy Zero Emission Cargo Transport (ZECT) II Demonstration program to develop and demonstrate zero-emission drayage trucks for goods movement operations between the Port of Los Angeles (POLA) and Port of Long Beach (POLB) near dock rail yards and warehouses: 1) development and demonstration of zero-emission fuel cell range extended electric drayage trucks and 2) development and demonstration of hybrid electric drayage trucks. The purpose of this project was to accelerate deployment of zero emission cargo transport technologies to reduce harmful diesel emissions, petroleum consumption and greenhouse gases in the surrounding communities along the goods movement corridors that are impacted by heavy diesel traffic and the associated air pollution. Between 2014 – 2024, six ZECT II zero-emission fuel cell drayage truck platforms, including fuel cell range extended and CNG hybrid trucks, were successfully designed, developed, integrated, built, tested, and demonstrated with drayage fleet operators in transportation corridors within areas of the South Coast AQMD jurisdiction in Southern California such as in and around POLA and POLB. Portable hydrogen refueling was deployed to support the fuel cell vehicles. The project had real-time improvement with on-going debugging and optimizations while the vehicles were under demonstration. All platforms demonstrated sufficient or excess power, torque, and energy to support 82,000lbs Gross Vehicle Weight Rating and gradeability to perform their daily duty cycles. Collectively, the trucks drove over 23,000 miles during their respective demonstration phases. The ZECT II project was the first of its kind to demonstrate the commercial viability that supported the additional technology breakthroughs for Class 8 zero emission trucks and validations as well as the regulatory basis for all the zero-emission regulation that we know today, such as the Innovative Clean Transit regulation, Advanced Clean Trucks and Clean Fleet regulations.

08 HYDROGEN↗