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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

State and Alternative Fuel Provider Fleet Compliance Annual Report (Results for MY201 / FY2014)

The U.S. Department of Energy (DOE) regulates covered state government and alternative fuel provider (SFP) fleets under the Alternative Fuel Transportation Program, pursuant to the Energy Policy Act of 1992 (EPAct), as amended. For model year (MY) 2013, the compliance rate with this program for the more than 296 covered SFP fleets was 100%. Fleets used either Standard Compliance or Alternative Compliance. The more than 286 fleets that used Standard Compliance exceeded their aggregate MY 2013 acquisition requirements by 6% through acquisitions alone. The 10 covered fleets that complied using Alternative Compliance exceeded their aggregate MY 2013 petroleum-use reduction requirements by 43%. Overall, DOE saw an increase from MY 2012 in total biodiesel fuel use reported of more than 1.5 million gallons of biodiesel (B100), and a concomitant increase in the number of biodiesel fuel-use credits earned. In addition, nearly 7.7 million gallons of B100 were reported in MY 2013, the highest biodiesel use reported in recent years. The second-highest numbers ever reported of both light-duty (LD) alternative fuel vehicles (AFVs) acquired and AFVs acquired across all categories were also reported. Compared to recent model years, these rates suggest a continuing increase in the number of AFVs that covered fleets are acquiring and a surge in biodiesel purchase and use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

An economic analysis of the role of materials, system engineering, and performance in electrochemical carbon dioxide conversion to formate

The development of technologies that utilize carbon dioxide is important to mitigating climate change. The electrochemical reduction of carbon dioxide is one technology that can utilize greenhouse gasses that would be otherwise be emitted to the atmosphere by producing chemicals and fuels from carbon dioxide and electricity. Significant progress has been made in the experimental performance of carbon dioxide reduction systems with novel catalyst designs, new materials, and systems engineering; however, no work has linked such changes in stack design and materials to capital costs for the stack itself. In this study, we present an analysis that accounts for and analyzes the impacts of alternative materials and system architectures on manufactured costs of carbon dioxide reduction stacks, thus providing a framework to understand exactly how these advances impact the at-scale capital costs of these systems. Specifically, we consider the impact that the addition of a catholyte buffer layer has on an electrolyzer reducing carbon dioxide to formate, finding that the cost of manufacturing this part only increases stack costs by about $30/m 2 at high manufacturing rates, while previous work finds that this part improves system performance. This work shows that the links between system performance, materials, and costs are nonlinear, and that achieving low-cost scalability requires optimization of not just performance parameters but also the use of low-cost and highly scalable materials. These results bridge experimental and techno-economic analysis of processes for carbon dioxide reduction, informing researchers by providing a quantifiable estimate of the impact of advances in electrochemical carbon dioxide reduction technology on manufactured stack capital costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Atomically Dispersed Molybdenum Catalysts for Efficient Ambient Nitrogen Fixation

Abstract NH 3 synthesis by the electrocatalytic N 2 reduction reaction (NRR) under ambient conditions is an appealing alternative to the currently employed industrial method—the Haber–Bosch process—that requires high temperature and pressure. We report single Mo atoms anchored to nitrogen‐doped porous carbon as a cost‐effective catalyst for the NRR. Benefiting from the optimally high density of active sites and hierarchically porous carbon frameworks, this catalyst achieves a high NH 3 yield rate (34.0±3.6 μg h −1 mg cat. −1 ) and a high Faradaic efficiency (14.6±1.6 %) in 0.1 m KOH at room temperature. These values are considerably higher compared to previously reported non‐precious‐metal electrocatalysts. Moreover, this catalyst displays no obvious current drop during a 50 000 s NRR, and high activity and durability are achieved in 0.1 m HCl. The findings provide a promising lead for the design of efficient and robust single‐atom non‐precious‐metal catalysts for the electrocatalytic NRR.

Han, Lili↗
DOE OSTI2020

Divergent Members of the Nitrogenase Superfamily: Tetrapyrrole Biosynthesis and Beyond

The nitrogenase superfamily constitutes a large and diverse ensemble of two–component metalloenzymes. These systems couple the hydrolysis of ATP to the reduction of disparate substrates from diatomic gases (Mo and alternative nitrogenases) to photosynthetic pigments (protochlorophyllide and chlorophyllide oxidoreductases). Only very recently have the activities of the highly divergent and paraphyletic Group IV nitrogenases begun to be uncovered. In conclusion, this review highlights the first characterized member of this group, which was found to catalyze an unprecedented reaction in the coenzyme F430 biosynthetic pathway, and the catalytic potential of a superfamily that has yet to be fully explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Neutron Detectors for Scattering Applications

The book covers, for the first time, the most common neutron detectors used in neutron scattering facilities and all of those in use at Oak Ridge National Lab. The first two chapters describe the facilities, instruments and the critical detector parameters needed by various instruments. The third chapter focuses on the key components of the 3He-based linear position sensitive detectors as well as on their electronics, which require particular attention to signal-processing and noise reduction. The fourth chapter is dedicated to the 3He alternatives where scintillators play a critical role. Finally, chapter 5 covers emerging neutron detection technologies including semiconductors, vacuum-based devices and their associated readouts, which will be required in the future for high rate and high-resolution neutron detectors.

Diawara, Yacouba↗
DOE OSTI2018

Metal-organic framework-derived nitrogen-doped highly disordered carbon for electrochemical ammonia synthesis using N 2 and H 2 O in alkaline electrolytes

Ammonia (NH 3 ) is considered an important chemical for both agriculture fertilizer and renewable energy. The conventional Haber-Bosh process to produce NH 3 is energy intensive and leads to significant CO 2 emission. Alternatively, electrochemical synthesis of ammonia (ESA) through the nitrogen reduction reaction (NRR) by using renewable electricity has recently attracted significant attention. Herein, we report a metal-organic framework-derived nitrogen-doped nanoporous carbon as an electrocatalyst for the NRR. It exhibits a remarkable production rate of NH 3 up to 3.4 ×10 –6 mol cm –2 h –1 with a Faradaic efficiency (FE) of 10.2% at –0.3 V vs . RHE under room temperature and ambient pressure using aqueous 0.1 M KOH electrolyte. Increasing the temperature to 60 °C further improves production rates to 7.3 × 10 –6 mol cm –2 h –1 . The stability of the nitrogen-doped carbon electrocatalyst was demonstrated during an 18-h continuous test with constant production rates. First principles calculations were used to elucidate the possible active sites and reaction pathway. The moiety, which consists of three pyridinic N atoms (N 3 ) adjacent with one carbon vacancy embedded in a carbon layer, is able to strongly adsorb N 2 and further realize N≡N triple bond dissociation for the subsequent protonation process. The rate-determining step of the NRR is predicted to be the adsorption and bond activation of N 2 molecule. Increasing overpotentials is favorable for the protonation process during NH 3 generation. Further doping Fe into the nitrogen-doped carbon likely blocks the N 3 active sites and facilitates the hydrogen evolution reaction, a strong competitor to the NRR, thus yielding negative effect on ammonia production. Furthermore, this work provides a new insight into the rational design and synthesis of nitrogen-doped and defect-rich carbon as efficient NRR catalysts for NH 3 synthesis at ambient conditions.

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

Material characterization of seven photovoltaic backsheets using seven accelerated test conditions

A variety of polymeric backsheet materials can be found in fielded photovoltaic (PV) modules, mostly based on fluoropolymer and polyethylene terephthalate (PET) materials. Cost reduction and sustainability considerations drive the recent development of alternative backsheet materials and designs [1]. In some fielded PV installations, polymeric materials are susceptible to environmental degradation in the form of backsheet cracking. To prevent backsheet degradation that can result in a module failure, thorough laboratory reliability testing is needed. In this report we studied the durability of seven commercial and experimental PV backsheets through accelerated stress testing using seven photolytic, hygrometric, and custom tests with the goal to understand if novel fluoropolymer-free backsheets are sufficiently environmentally durable to be commercialized. We divided the mechanisms observed during aging into two categories: core degradation and surface degradation. Although core degradation due to hydrolysis was observed in all commercial PET-, and polyamide (PA)-based backsheets aged with 85 degrees C/85% relative humidity, this test is unlikely to be field relevant. Photo-oxidative reactions on the exposed surface during UV weathering affected all seven backsheets regardless of the outer layer polymer material and additives. This degradation was limited to the outermost micrometers of the surface, except for backsheets containing PA-12, which resulted in surface cracking. A custom test combining UV with water spray caused the most severe backsheet degradation, including surface erosion and loss of insulating properties in polyolefin (PO)- and PA-based backsheets. This highlights the importance of combined accelerated stress testing to screen for complex backsheet degradation mechanisms. We also showed that, with material and design optimization, coextruded experimental PO-based backsheets have the potential to be a durable alternative to commercial PET- and fluoropolymer-based PV backsheets.

14 SOLAR ENERGY↗
DOE OSTI2021

Perovskite oxynitrides as tunable materials for electrocatalytic nitrogen reduction to ammonia

The electrocatalytic nitrogen reduction reaction (ENRR) to ammonia is a potentially sustainable alternative to the Haber-Bosch (HB) process, but low Faradaic efficiencies and rates hinder its implementation. Perovskite oxynitrides are a tunable class of materials with unique chemistry for ENRR. As a result, elucidating structure–property–mechanism relations for perovskite oxynitrides will aid ENRR catalyst design.

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

Metal-Centered Photoredox Catalysis using d 6 Transition Metal-based Chromophores

Controlling excited-state reactivity in transition metal chromophores is central to light-driven chemistry, with applications spanning from solar energy conversion to photoredox catalysis. Ru(II) and Ir(III) chromophores currently dominate applications within this field due to their long-lived charge-transfer (CT) excited states, which support bimolecular electron transfer chemistry. However, their elemental scarcity and relative lack of selectivity for differentiating oxidative versus reductive pathways has in part motivated the exploration of alternative platforms that could, in principle, offer distinct mechanistic opportunities. Earth-abundant, valence-isoelectronic 3d 6 complexes of Fe(II) and Co(III) have attracted significant attention due to their electronic similarity to Ru(II) and Ir(III), suggesting the potential for complementary photophysical behavior. In contrast to their heavier congeners, however, the weaker ligand fields of first-row transition metals promote rapid relaxation from initially populated CT states to low-lying metal-centered (MC) excited states, typically of 5 T 2 or 3 T 1 character. Because these MC states involve redistribution of electron density within MC d-orbitals rather than charge separation between metal and ligand orbitals, they were historically considered poor candidates for use in photochemical transformations.

Charge transfer↗
DOE OSTI2023

Ammonia Electrosynthesis from Nitrate Using a Ruthenium–Copper Cocatalyst System: A Full Concentration Range Study

Electrochemical synthesis of ammonia via the nitrate reduction reaction (NO3RR) has been intensively researched as an alternative to the traditional Haber–Bosch process. Most research focuses on the low concentration range representative of the nitrate level in wastewater, leaving the high concentration range, which exists in nuclear and fertilizer wastes, unexplored. The use of a concentrated electrolyte (≥1 M) for higher rate production is hampered by poor hydrogen transfer kinetics. Herein, we demonstrate that a cocatalytic system of Ru/Cu 2 O catalyst enables NO3RR at 10.0 A in 1 M nitrate electrolyte in a 16 cm 2 flow electrolyzer, with 100% faradaic efficiency toward ammonia. Detailed mechanistic studies by deuterium labeling and operando Fourier transform infrared (FTIR) spectroscopy allow us to probe the hydrogen transfer rate and intermediate species on Ru/Cu 2 O. Ab initio molecular dynamics (AIMD) simulations reveal that adsorbed hydroxide on Ru nanoparticles increases the density of the hydrogen-bonded water network near the Cu 2 O surface, which promotes the hydrogen transfer rate. Finally, our work highlights the importance of engineering synergistic interactions in cocatalysts for addressing the kinetic bottleneck in electrosynthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Dual-nitrogen-source engineered Fe–N x moieties as a booster for oxygen electroreduction

Metal–air batteries, particularly Zn–air batteries, have triggered considerable enthusiasm of communities due to their high theoretical power density. Developing highly active, cost-effective and alternative non-precious metal catalysts for the oxygen reduction reaction (ORR) is pivotal for popularizing zinc–air batteries. The rational design and synthesis of this type of catalyst are therefore critical, but it is still challenging to control the well-defined active sites as expected. In this paper, we report a dual-nitrogen-source mediated route for synergistically controlling the formation of active Fe–N x moieties that are embedded in the carbon matrix. The facile control of coordination structures of precursors by this dual-nitrogen-source approach is revealed to play a key role in this report. Impressively, the optimized dual-nitrogen-source derived catalyst (i.e. Fe–N–C-800) exhibits prominently enhanced ORR activity with a half-wave potential of 0.883 V in alkaline electrolyte, higher by 32 mV and 72 mV than those derived from individual nitrogen sources, which is also further evaluated in primary Zn–air batteries. The enhanced ORR activity of Fe–N–C-800 is attributed to the rich Fe–N x active sites derived from the dual-nitrogen-source approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Development of highly accurate approximate scheme for computing the charge transfer integral

The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Classification of Ricci-flat metrics on the cotangent bundles of compact rank-one symmetric spaces

All complete Ricci-flat Kaehler G-invariant metrics (g,J,{Omega}) on the cotangent bundle of a compact rank-one symmetric space G/K, dim G/K>=3 (with the fixed Kaehler form, the canonical symplectic structure {Omega}), are classified. It is proved that the set of equivalence classes of such metrics can be parametrized by positive numbers. The representative of each class is constructed by using explicit expressions. An alternative description of these structures based on the Kaehler reduction procedure is proposed. We show also that the complete Ricci-flat Kaehler metrics, constructed by Stenzel, are diffeomorphic to these ones. Bibliography: 26 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Supplementing biofuel mandates with a carbon mitigation policy can lead to water quality co-benefits

Biofuel mandates can impact the environment in multiple ways that may be positive or negative, including affecting life-cycle greenhouse gas (GHG) emissions by displacing fossil fuels, affecting soil carbon stocks due to accompanying land use change, and water quality due to changes in fertilizer requirements and the mix of crops used as feedstocks. To achieve desired environmental outcomes in the presence of a biofuel mandate, additional policy instruments must be adopted to supplement the mandate. We develop an integrated and spatially explicit ecosystem-economic modeling framework to analyze the cost-effectiveness of alternative policies to achieve desired targets for GHG emissions reduction from the agricultural and fuel sectors in the USA and nitrate leaching reduction in the Gulf of Mexico below the levels that would be achieved by a corn ethanol and/or a cellulosic ethanol mandate in the USA. We find that while a corn ethanol mandate lowers GHG emissions, it increases nitrate leaching due to the expansion of corn production; a cellulosic ethanol mandate lowers both GHG emissions and nitrate leaching relative to a corn ethanol mandate, but the additional carbon and nitrate prices are needed to achieve anticipated GHG reduction and nitrate reduction targets. We also find that accompanying a biofuel mandate with a GHG reduction target alone leads to substantial nitrate reduction co-benefits, but a nitrate reduction target alone is less effective in reducing GHG emissions. Combining a GHG standard with a nitrate standard can achieve GHG and nitrate reduction targets at lower carbon and nitrate prices as compared to implementing each of these policies independently. Furthermore, our findings show that disregarding policy co-benefits can overestimate the GHG and nitrate prices needed to achieve policy targets and higher policy costs.

09 BIOMASS FUELS↗
DOE OSTI2015

Exploring Alternative Non-contact temperature measurements for 99 Mo production facility NorthStar FY14 Activity 5, Deliverable 2

We have conducted an experiment to explore an alternative non-contact method of measuring the Inconel target window temperature. This experiment involves using a standard color camera to observe the visible light emitted from the Inconel target window at high heat in order to estimate the window temperature. The safety limit to prevent target window failure is 700 °C and therefore we need a reliable and accurate method of measuring temperature especially in the range of 600 °C to 700 °C if it is to replace the IR camera. In this temperature range the window will emit a significant amount of black body radiation within the visible range and hence the idea of using a color camera. The goal is to see if the shift in window color (determined by the RBG pixel values of the camera) as the target window is heated to 700 °C can be calibrated to the temperature.The reasons for exploring this as an alternative to an IR are camera are: significant cost reduction and potentially less complicated to calibrate.

42 ENGINEERING↗
DOE OSTI2015

Evaluation of Settler Tank Thermal Stability during Solidification and Disposition to ERDF

Ten 16-foot-long and 20-inch diameter horizontal tanks currently reside in a stacked 2×5 (high) array in the ~20,000-gallon water-filled Weasel Pit of the 105-KW Fuel Storage Basin on the US-DOE Hanford Site. These ten tanks are part of the Integrated Water Treatment System used to manage water quality in the KW Basin and are called “settler” tanks because of their application in removing particles from the KW Basin waters. Based on process knowledge, the settler tanks are estimated to contain about 124 kilograms of finely divided uranium metal, 22 kg of uranium dioxide, and another 55 kg of other radioactive sludge. The Sludge Treatment Project (STP), managed by CH2MHill Plateau Remediation Company (CHPRC) is charged with managing the settler tanks and arranging for their ultimate disposal by burial in ERDF. The presence of finely divided uranium metal in the sludge is of concern because of the potential for thermal runaway reaction of the uranium metal with water and the formation of flammable hydrogen gas as a product of the uranium-water reaction. Thermal runaway can be instigated by external heating. The STP commissioned a formal Decision Support Board (DSB) to consider options and provide recommendations to manage and dispose of the settler tanks and their contents. Decision criteria included consideration of the project schedule and longer-term deactivation, decontamination, decommissioning, and demolition (D4) of the KW Basin. The DSB compared the alternatives and recommended in-situ grouting, size-reduction, and ERDF disposal as the best of six candidate options for settler tank treatment and disposal. It is important to note that most grouts contain a complement of Portland cement as the binding agent and that Portland cement curing reactions generate heat. Therefore, concern is raised that the grouting of the settler tank contents may produce heating sufficient to instigate thermal runaway reactions in the contained uranium metal sludge.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Spark Plasma Sintering of Ultracapacitors

A solid-state ultracapacitor module to replace standard electrochemical batteries would achieve major performance gains and mass/volume reduction. This report summarizes a project to evaluate an alternative sintering process to produce a solid-state ultracapacitor to overcome the limitations of both the electrochemical batteries presently in use on spacecraft and of currently available electrochemical ultracapacitors. It will provide a robust energy storage device with higher reliability, wider working temperature range, longer lifetime, and less weight and volume than electrochemical batteries. As modern electronics decrease in size, more efficient and robust remote power is needed. Current state-of-the-art rechargeable batteries cannot be rapidly charged, contain harmful chemicals, and suffer from early wear-out mechanisms. Solid-state ultracapacitors are recyclable energy storage devices that offer the promise of higher power and a greater number of charge/discharge cycles than current rechargeable batteries. In addition, the theoretical energy density when compared to current electrochemical batteries indicates that a significant weight savings is possible. This is a project to develop a very high density solid-state ultracapacitor with giant permittivity and acceptable dielectric loss to overcome the energy-density barrier such that it will be a suitable replacement for batteries.

25 ENERGY STORAGE↗
DOE OSTI2017

Low Global Warming Potential Refrigerants for Commercial Refrigeration Systems

Supermarket refrigeration systems account for approximately 50% of supermarket energy use, placing this class of equipment among the highest energy consumers in the commercial building domain. In addition, the commonly used refrigeration system in supermarket applications is the multiplex direct expansion (DX) system, which is prone to refrigerant leaks due to its long lengths of refrigerant piping. This leakage reduces the efficiency of the system and increases the impact of the system on the environment. The high Global Warming Potential (GWP) of the hydrofluorocarbon (HFC) refrigerants commonly used in these systems, coupled with the large refrigerant charge and the high refrigerant leakage rates leads to significant direct emissions of greenhouse gases into the atmosphere. Environmental concerns are driving regulations for the heating, ventilating, air-conditioning and refrigeration (HVAC&R) industry towards lower GWP alternatives to HFC refrigerants. Existing lower GWP refrigerant alternatives include hydrocarbons, such as propane (R-290) and isobutane (R-600a), as well as carbon dioxide (R-744), ammonia (R-717), and R-32. In addition, new lower GWP refrigerant alternatives are currently being developed by refrigerant manufacturers, including hydrofluoro-olefin (HFO) and unsaturated hydrochlorofluorocarbon (HCFO) refrigerants. The selection of an appropriate refrigerant for a given refrigeration application should be based on several factors, including the GWP of the refrigerant, the energy consumption of the refrigeration system over its operating lifetime, and leakage of refrigerant over the system lifetime. For example, focusing on energy efficiency alone may overlook the significant environmental impact of refrigerant leakage; while focusing on GWP alone might result in lower efficiency systems that result in higher indirect impact over the equipment lifetime. Thus, the objective of this Collaborative Research and Development Agreement (CRADA) between Honeywell and the Oak Ridge National Laboratory (ORNL) is to develop a Life Cycle Climate Performance (LCCP) modeling tool for optimally designing HVAC&R equipment with lower life cycle greenhouse gas emissions, and the selection of alternative working fluids that reduce the greenhouse gas emissions of HVAC&R equipment. In addition, an experimental evaluation program is used to measure the coefficient of performance (COP) and refrigerating capacity of various refrigerant candidates, which have differing GWP values, in commercial refrigeration equipment. Through a cooperative effort between industry and government, alternative working fluids will be chosen based on maximum reduction in greenhouse gases at minimal cost impact to the consumer. This project will ultimately result in advancing the goals of reducing greenhouse gas emissions through the use of low GWP working fluids and technologies for HVAC&R and appliance equipment, resulting in cost-competitive products and systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗