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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

A direct current rectification scheme for microwave space power conversion using traveling wave electron acceleration

The formation of the Vision-21 conference held three years ago allowed the present author to reflect and speculate on the problem of converting electromagnetic energy to a direct current by essentially reversing the process used in traveling wave tubes that converts energy in the form of a direct current to electromagnetic energy. The idea was to use the electric field of the electromagnetic wave to produce electrons through the field emission process and accelerate these electrons by the same field to produce an electric current across a large potential difference. The acceleration process was that of cyclotron auto-resonance. Since that time, this rather speculative ideas has been developed into a method that shows great promise and for which a patent is pending and a prototype design will be demonstrated in a potential laser power beaming application. From the point of view of the author, a forum such as Vision-21 is becoming an essential component in the rather conservative climate in which our initiatives for space exploration are presently formed. Exchanges such as Vision-21 not only allows us to deviate from the 'by-the-book' approach and rediscover the ability and power in imagination, but provides for the discussion of ideas hitherto considered 'crazy' so that they may be given the change to transcend from the level of eccentricity to applicability.

Manning, Robert M.↗
DOE OSTI2025

Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging

The photochemistry of heterocyclic molecules plays a decisive role for processes and applications like DNA photo-protection from UV damage and organic photocatalysis. The photochemical reactivity of heterocycles is determined by the redistribution of photoenergy into electronic and nuclear degrees of freedom, initially involving ultrafast internal conversion. Most heterocycles are planar in their ground state and internal conversion requires symmetry breaking. To lower the symmetry, the molecule must undergo an out-of-plane motion, which has not yet been observed directly. Here we show using the example of 2-thiouracil, how Coulomb explosion imaging can be utilized to extract comprehensive information on this molecular deformation, linking the extracted deplanarization of the molecular geometry to the previously studied temporal evolution of its electronic properties. Particularly, the protons of the exploded molecule are well-suited messengers carrying rich information on its geometry at distinct times after electronic excitation. We expect that our new analysis approach centered on these peripheral protons can be adapted as a general concept for future time-resolved studies of complex molecules in the gas phase.

Chemical physics↗
DOE OSTI2019

Single mutation at a highly conserved region of chloramphenicol acetyltransferase enables isobutyl acetate production directly from cellulose by Clostridium thermocellum at elevated temperatures

Abstract Background Esters are versatile chemicals and potential drop-in biofuels. To develop a sustainable production platform, microbial ester biosynthesis using alcohol acetyltransferases (AATs) has been studied for decades. Volatility of esters endows high-temperature fermentation with advantageous downstream product separation. However, due to the limited thermostability of AATs known, the ester biosynthesis has largely relied on use of mesophilic microbes. Therefore, developing thermostable AATs is important for ester production directly from lignocellulosic biomass by the thermophilic consolidated bioprocessing (CBP) microbes, e.g., Clostridium thermocellum . Results In this study, we engineered a thermostable chloramphenicol acetyltransferase from Staphylococcus aureus (CAT Sa ) for enhanced isobutyl acetate production at elevated temperatures. We first analyzed the broad alcohol substrate range of CAT Sa . Then, we targeted a highly conserved region in the binding pocket of CAT Sa for mutagenesis. The mutagenesis revealed that F97W significantly increased conversion of isobutanol to isobutyl acetate. Using CAT Sa F97W, we demonstrated direct conversion of cellulose into isobutyl acetate by an engineered C. thermocellum at elevated temperatures. Conclusions This study highlights that CAT is a potential thermostable AAT that can be harnessed to develop the thermophilic CBP microbial platform for biosynthesis of designer bioesters directly from lignocellulosic biomass.

Biotechnology & Applied Microbiology↗
NASA NTRS1998

Design and Discovery of Highly Efficient Thermoelectric Materials

Thermoelectric energy conversion efficiency is directly related to the temperature difference over which the device operates, its average temperature of operation and the transport properties of the thermocouple material represented by ZT, the dimensionless figure of merit.

Thermoelectric energy conversion efficiency ZT the↗
DOE OSTI2014

The Third Way of Thermal-Electric Conversion beyond Seebeck and Pyroelectric Effects

Thermal-electric conversion is crucial for smart energy control and harvesting, such as thermal sensing and waste heat recovering. So far, people are aware of only two ways of direct thermal-electric conversion, Seebeck and pyroelectric effects, each with distinct working conditions and limitations. Here, we report the third way of thermal-electric conversion beyond Seebeck and pyroelectric effects. In contrast to Seebeck effect that requires spatial temperature difference, the-third-way converts the time-dependent ambient temperature fluctuation into electricity, similar to the behavior of pyroelectricity. However, the-third-way is also distinct from pyroelectric effect in the sense that it does not require polar materials but applies to general conducting systems. We demonstrate that the-third-way results from the temperature-fluctuation-induced dynamical charge redistribution. It is a consequence of the fundamental nonequilibrium thermodynamics and has a deep connection to the topological phase in quantum mechanics. Our findings expand our knowledge and provide new means of thermal-electric energy harvesting.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Ternary PtRuPd/C catalyst for high-performance, low-temperature direct dimethyl ether fuel cells

Here, dimethyl ether (DME) is a promising alternative fuel option for direct-feed low-temperature fuel cells. Until recently, DME had not received the same attention as alcohol fuels, such as methanol or ethanol, despite its notable advantages. These advantages include a high theoretical open-cell voltage (1.18 V at 25 °C) that is similar to that of methanol (1.21 V), much lower toxicity than methanol, and no need for the carbon–carbon bond scission that is needed in ethanol oxidation. DME is biodegradable, has a higher energy content than methanol (8.2 vs. 6.1 kWh kg –1 ), and, like methanol, can be synthesized from recycled carbon dioxide. Although the performance of direct DME fuel cells (DDMEFCs) has progressed over the past few years, DDMEFCs have not been viewed as fully viable. In this work, we report much improved performance from the ternary Pt 55 Ru 35 Pd 10 /C anode catalyst, allowing DDMEFCs to compete directly with direct methanol fuel cells (DMFCs). We also report results involving binary Pt alloys as reference catalysts and an in situ infrared electrochemical study to better understand the mechanism of DME electro-oxidation on ternary PtRuPd/C catalysts.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Molecular Level Understanding of Polyethylene Terephthalate (PET) Depolymerization in Base/Alcohol Hybrid Systems

Polyethylene terephthalate (PET) depolymerization in base/alcohol hybrid systems represents a promising low-energy approach for chemically recycling PET waste into valuable monomers. This study investigates the mechanistic pathways of PET depolymerization in NaOH/alcohol solutions, emphasizing the competing roles of hydroxide and alkoxide species. Utilizing a combination of experimental techniques, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations, we explore how factors such as base concentration, alcohol chain length, and pKa values of alcohols influence PET depolymerization efficiency and pathways. Our findings indicate that alkoxide ions (RO⁻) exhibit notably higher reactivity than hydroxide ions (HO⁻), favoring an alcoholysis pathway in the base/alcohol hybrid system. Experimental results across a series of C1 to C5 alcohols show that longer-chain alcohols, particularly 1-butanol, achieve higher PET conversion, although this does not align solely with simple nucleophilicity trends of alkoxides. While DFT calculations reveal comparable activation energies for various alkoxides in PET depolymerization, MD simulations underscore the significant role of alcohol chain length, with longer-chain alcohols forming more stable or frequent interactions with PET. Additionally, the alkoxide concentration, influenced by the alcohol’s pK a , directly impacts PET conversion. These suggest that PET depolymerization is governed by a balance between alkoxide concentration and alkoxide-PET interactions, rather than activation energies or nucleophilicity alone. From a practical perspective, incorporating long-chain alcohols as cosolvents may enhance process efficiency but increases raw material costs by approximately 30%. However, long-chain alcohols present a safer and more sustainable alternative to hazardous cosolvents such as dichloromethane. This work offers a molecular-level understanding of PET depolymerization in base/alcohol systems and provides insights into optimizing these systems for more efficient and sustainable PET recycling processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Quench protection analysis of the Mu2e production solenoid

The Muon-to-Electron conversion experiment (Mu2e), under development at Fermilab, seeks to detect direct muon to electron conversion to provide evidence for a process violating muon and electron lepton number conservation that cannot be explained by the Standard Model of particle physics. The Mu2e magnet system consists of three large superconducting solenoids. In case of a quench, the stored magnetic energy is extracted to an external dump circuit. However, because of the fast current decay, a significant fraction of the energy dissipates inside of the cryostat in the coil support shells made of structural aluminum, and in the radiation shield. A 3D finite-element model of the complete cold-mass was created in order to simulate the quench development and understand the role of the quench-back. The simulation results are reported at the normal and non-standard operating conditions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Improvements in ORIGEN Resource Readers

As part of the effort to modernize the ORIGEN depletion code [1], various “resources” have been created to store the fundamental nuclear data required for ORIGEN calculations, such as fission yields, decay data, and cross sections. The resources provide a convenient interface to load the same data from various file formats. Resources can be used directly in unit conversions (e.g., the decay resource can be used to convert atoms to activity) and are the fundamental input used to create an ORIGEN library, which is a fixed data collection of a specific set of nuclides and transitions. This report focuses on the extension of the yield resource and the decay resource, which allow ENDF-formatted nuclear data files [2] to be read directly.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2012

The Science and Engineering of Durable Ultralow PGM Catalysts (2012 DOE-EERE-FCT Annual Progress Report)

Minimizing the quantity of Pt group metals used in polymer membrane fuel cells (PEMFCs) is one of the remaining grand challenges for fuel cell commercialization. Tremendous progress has been achieved over the last two decades in decreasing the Pt loading required for efficient fuel cell performance. Unfortunately, the fluctuations in the price of Pt represent a substantial barrier to the economics of widespread fuel cell use. Durability and impurity tolerance are also challenges that are tightly coupled to fuel cell Pt electrode loading. Traditional approaches to decreasing the amount of Pt required for good performance include: (1) Increasing mass activity by decreasing Pt particle size by supporting on carbon; (2) Alloy formulation Pt-Co, Pt-Cr alloys to improve mass activity; (3) Increasing Pt utilization by optimization of electronic and ionic contact of the Pt particles; (4) Improving conductivity of the electronic and ionic conducting constituents of the membrane electrode assembly; and (5) Improving reactant to and product mass transport away from the electroactive sites. Recent novel approaches include the nanoengineering of core shell catalysts and Pt particles of unusual geometries such as nanowires/whiskers. The success of the aforementioned approaches has been great; however further advances using such approaches have been hampered by a lack of underlining scientific understanding of the catalyst activity, particle growth mechanisms, and optimization strategies for designing composite electrodes The objectives of this report are: (1) Development of durable, high mass activity Platinum Group Metal (PGM) cathode catalysts-enabling lower cost fuel cells; (2) Elucidation of the fundamental relationships between PGM catalyst shape, particle size and activity to help design better catalysts; (3) Optimization of the cathode electrode layer to maximize the performance of PGM catalysts-improving fuel cell performance and lowering cost; (4) Understanding the performance degradation mechanisms of high mass activity cathode catalysts-provide insights to better catalyst design; and (5) Development and testing of fuel cells using ultra-low loading high activity PGM catalysts-validation of advanced concepts.

08 HYDROGEN↗
DOE OSTI2020

Ionomers for electrochemical energy conversion & storage technologies

We report ionomers, which are used as polymer electrolyte membranes as well as catalyst binders in membrane electrode assemblies, are a key component of electrochemical energy conversion and storage technologies such as fuel cells, electrolyzers, and flow batteries. The use of ionomers in these clean energy technologies has a long history and there has been considerable progress in developing low-cost, high-performance ionomers in recent years. In this review article, we discuss some highlights from recent developments of ionomers with emphasis on chemically stable, mechanically durable, high-performance hydrocarbon ionomers and their state-of-the-art performance in electrochemical energy conversion devices. Future directions of ionomer research that are important to enhance our understanding and the remaining challenges related to device level applications are addressed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrated Process for Direct Air Capture of CO 2 and Electrochemical Conversion to Ethanol

This Cooperative Research and Development Agreement (CRADA) between UT-Battelle, LLC and Reactwell, L.L.C. aimed to facilitate the development of an energy-efficient and cost-effective technology that captures carbon dioxide (CO 2 ) from ambient air and converts it electrochemically to ethanol. Direct air capture (DAC) of CO 2 offers the prospect of permanently lowering the atmospheric CO 2 concentration, providing economic and energy-efficient technologies can be developed and deployed at a large scale. DAC has the potential for high-capacity atmospheric CO 2 capture, the flexibility of placement anywhere on earth, and the generation of high-purity CO 2 streams. The most significant technical challenge with DAC is the very low atmospheric concentration of CO 2 , thereby requiring sorbents that bind CO 2 quickly, strongly, and selectively against other components in the air. Integrating DAC with CO 2 conversion into useful chemicals, fuels, or materials can provide an economically feasible solution for mitigating climate change. As long as the carbon contained in these products is taken from the atmosphere and no additional carbon emissions result from their production, processing, and transportation, they can be considered carbon-neutral products. This CRADA facilitated the development of a new net-zero emission technology that closes the carbon cycle by combining DAC with the catalytic electrochemical conversion of CO 2 into ethanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Quantitative Microstructure Characterization of a NMC Electrode

Performance of lithium-ion batteries (LIBs) is strongly influenced by the porous microstructure of their electrodes. In this work, 3D microstructures of calendared and un-calendared positive electrode LiNi1/3Mn1/3Co1/3O2 (NMC) have been investigated in order to extract relevant properties useful for battery modeling. Transport (volume fraction, connectivity, particle size and tortuosity) and electrochemical (specific surface area) properties have been calculated for the pore and the active material. Special attention has been paid to determine the size of the so-called representative volume element (RVE) required to be statistically representative of the heterogeneous medium. Several parameters have been calculated using a panel of different numerical methods in order to compare their results. Besides, the image level of detail has been evaluated (using original criteria based upon edge detection) to assess the overall data quality available for the study.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

MATLAB/Simulink Framework for Modeling Complex Coolant Flow Configurations of Advanced Automotive Thermal Management Systems

The National Renewable Energy Laboratory's (NREL's) CoolSim MATLAB/Simulink modeling framework was extended by including a newly developed coolant loop solution method aimed at reducing the simulation effort for arbitrarily complex thermal management systems. The new approach does not require the user to identify specific coolant loops and their flow. The user only needs to connect the fluid network elements in a manner consistent with the desired schematic. Using the new solution method, a model of NREL's advanced combined coolant loop system for electric vehicles was created that reflected the test system architecture. This system was built using components provided by the MAHLE Group and included both air conditioning and heat pump modes. Validation with test bench data and verification with the previous solution method were performed for 10 operating points spanning a range of ambient temperatures between -2 degrees C and 43 degrees C. The largest root mean square difference between pressure, temperature, energy and mass flow rate data and simulation results was less than 7%.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

High-performance Ruddlesden–Popper perovskite oxide with in situ exsolved nanoparticles for direct CO 2 electrolysis

Carbon dioxide (CO 2 ) is one of the principal greenhouse gases accountable for global warming and extreme climate changes. Electrochemically converting CO 2 into carbon monoxide (CO) is a promising approach for CO 2 utilization in achieving industrial decarbonization. High-temperature CO 2 electrolysis via solid oxide electrolysis cells (SOECs) has great potential, including high-energy efficiency, fast electrode kinetics, and competitive cost; however, this technology still has challenges associated with developing highly active, robust CO 2 electrodes for SOECs. We report novel Ruddlesden–Popper structured Pr 1.2 Sr 0.8 Mn 0.4 Fe 0.6 O 4–δ (RP-PSMF) with in situ exsolved Fe nanoparticles as the CO 2 electrode in SOECs for direct CO 2 conversion to CO. The mechanism of CO 2 electrolysis is studied by using the distribution of relaxation times method from electrochemical impedance spectroscopy. La 0.8 Sr 0.2 Ga 0.8 Mg 0.2 O 3–δ (LSGM)-electrolyte supported SOECs with the RP-PSMF cathode have achieved exceptionally high current densities of 2.90, 1.61, 0.91, and 0.48 A·cm –2 at an applied voltage of 1.5 V at 800, 750, 700, and 650 °C, respectively. Moreover, SOECs with the RP-PSMF cathode have exhibited a stable electrolysis performance for 100 h under a current cycling operation. Here, these results suggest that RP-PSMF with exsolved Fe nanoparticles is a highly promising cathode for high-temperature direct CO 2 electrolysis cells.

03 NATURAL GAS↗
DOE OSTI2012

Reactive Ballistic Deposition of Nanostructured Model Materials for Electrochemical Energy Conversion and Storage

Finely structured, supported thin films offer a host of opportunities for fundamental and applied research. Nanostructured materials often exhibit physical properties which differ from their bulk counterparts due to the increased importance of the surface in determining the thermodynamics and behavior of the system. Thus, control of the characteristic size, porosity, morphology, and surface area presents opportunities to tailor new materials which are useful platforms for elucidating the fundamental processes related to energy conversion and storage. The ability to produce high purity materials with direct control of relevant film parameters such as porosity, film thickness, and film morphology is of immediate interest in the fields of electrochemistry, photocatalysis, and thermal catalysis. Studies of various photoactive materials have introduced questions concerning the effects of film architecture and surface structure on the performance of the materials, while recent work has demonstrated that nanostructured, mesoporous, or disordered materials often deform plastically, making them robust in applications where volumetric expansion and phase transformations occur, such as in materials for lithium-ion batteries. Moreover, renewed emphasis has been placed on the formation of semi-conductive electrodes with controlled pore-size and large surface areas for the study and application of pseudo-capacitance and cation insertion processes for electrical energy storage. Understanding how the performance of such materials depends on morphology, porosity, and surface structure and area requires a synthesis technique which provides for incremental variations in structure and facilitates assessment of the performance with the appropriate analytical tools, preferably those that provide both structural information and kinetic insight into photoelectrochemical processes.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1999

Optical Analysis of Transparent Polymeric Material Exposed to Simulated Space Environment

Transparent polymeric materials are being designed and utilized as solar concentrating lenses for spacecraft power and propulsion systems. These polymeric lenses concentrate solar energy onto energy conversion devices such as solar cells and thermal energy systems. The conversion efficiency is directly related to the transmissivity of the polymeric lens. The Environmental Effects Group of the Marshall Space Flight Center's Materials, Processes, and Manufacturing Department exposed a variety of materials to a simulated space environment and evaluated them for an, change in optical transmission. These materials include Lexan(TM), polyethylene terephthalate (PET). several formulations of Tefzel(TM). and Teflon(TM), and silicone DC 93-500. Samples were exposed to a minimum of 1000 Equivalent Sun Hours (ESH) of near-UV radiation (250 - 400 nm wavelength). Data will be presented on materials exposed to charged particle radiation equivalent to a five-year dose in geosynchronous orbit. These exposures were performed in MSFC's Combined Environmental Effects Test Chamber, a unique facility with the capability to expose materials simultaneously or sequentially to protons, low-energy electrons, high-energy electrons, near UV radiation and vacuum UV radiation.Prolonged exposure to the space environment will decrease the polymer film's transmission and thus reduce the conversion efficiency. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance to space environmental exposure. Spectral results and the material ranking according to transmission loss are presented.

Edwards, David L.↗
DOE OSTI2016

Climate Control Load Reduction Strategies for Electric Drive Vehicles in Cold Weather

When operated, the climate control system is the largest auxiliary load on a vehicle. This load has significant impact on fuel economy for conventional and hybrid vehicles, and it drastically reduces the driving range of all electric vehicles (EVs). Heating is even more detrimental to EV range than cooling because no engine waste heat is available. Reducing the thermal loads on the heating, ventilating, and air conditioning system will extend driving range and increase the market penetration of EVs. Researchers at the National Renewable Energy Laboratory have evaluated strategies for vehicle climate control load reduction with special attention toward grid connected electric vehicles. Outdoor vehicle thermal testing and computational modeling were used to assess potential strategies for improved thermal management and to evaluate the effectiveness of thermal load reduction technologies. A human physiology model was also used to evaluate the impact on occupant thermal comfort. Experimental evaluations of zonal heating strategies demonstrated a 5.5% to 28.5% reduction in cabin heating energy over a 20-minute warm-up. Vehicle simulations over various drive cycles show a 6.9% to 18.7% improvement in EV range over baseline heating using the most promising zonal heating strategy investigated. A national-level analysis was conducted to determine the overall national impact. If all vehicles used the best zonal strategy, the range would be improved by 7.1% over the baseline heating range. This is a 33% reduction in the range penalty for heating.

30 DIRECT ENERGY CONVERSION↗