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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nanoparticle Surface Passivation Strategies to Improve the Cycle and Calendar Lifetime of Silicon Anodes in Standard Carbonate Electrolytes

Silicon Lithium alloys (SiLix) as the anode active material in a Li-Ion battery configuration offer possible energy densities paralleled only by pure lithium metal. However, the extreme mechanical deformation of alloying and dealloying SiLix through charge/discharge cycles paired with the highly reactive interface of SiLix which generates an interfacial layer known as the solid-electrolyte-interphase are large barriers to industrial adoption of high-silicon-content negative electrodes. Moreover, these challenges are magnified when the thickness of the electrode is brought to relevant levels (>3 mg/cm2). Here, I describe our efforts to address these challenges by utilizing single-nanometer-scale silicon nanoparticles to reduce capacity fade related to mechanical failure. I also detail our efforts to modify the silicon surface through interfacial chemical engineering strategies to passivate the silicon surface. This development three different majority silicon electrodes (50-74 wt%) to achieve cycle capacity retention of greater than 73% through 1000 charge/discharge cycles against capacity-matched NMC-based cathodes and calendar lifetimes greater than one year. This research is a part of the multi-national lab Silicon Consortium Project.

anodes↗
DOE OSTI2023

Gas-Liquid Flow Modeling for Renewable Fuels Production

Aerobic/anaerobic and gas fermentation pathways have emerged as promising new technologies for the generation of renewable fuels/chemicals from biomass derived sugars, and mixtures of greenhouse/energy rich gas streams (CO2/CH4/H2/CO) via microbial action. Example pathways include sugars-to-ethanol conversion, biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Gas and liquid phase transport, mass-transfer, and mixing physics at large length scales can significantly affect microbial conversion rates, particularly when the microbial reaction requires a narrow set of conditions. These phenomena are difficult to study in small-scale bench-top reactors that are typically well-mixed. Predictive computational fluid dynamics (CFD) based simulations can therefore aid in the scale-up, design and optimization of these reactors. This work presents multiphase Euler-Euler CFD simulations of at-scale (~500 m3) bioreactors. Our mathematical model treats the gas and liquid as interpenetrating phases. This approach reduces the computational complexity of tracking individual gas bubbles that are several orders of magnitude smaller than reactor dimensions. We solve the Reynolds averaged Navier-Stokes (RANS) multiphase equations that account for phase and chemical species transport, interphase mass and momentum transfer and uses a phenomenological model for gas uptake by microbes. We use a customized solver derived from open-source CFD toolbox, OpenFOAM [1], to perform these simulations, which has been validated against small-scale reactors in our previous work [2]. There is currently a knowledge-gap regarding bubble-size distributions when using gas mixtures with vastly different properties, which can have a significant impact overall mass-transfer. For example, hydrogen bubbles are more buoyant compared to other relatively heavier gases (CO2/CH4/CO), resulting in a large distribution of residence times and bubble sizes. This work therefore develops a deeper understanding of bubble dynamics and interphase mass transfer in such heterogenous gas mixtures through well-resolved computational models. We use a population balance model (PBM) for bubble-size-distribution modeling that is validated against small-scale experiments in our solver with an uncertainty quantification study for bubble coalescence and break-up model parameters. Results pertaining to multiple simulations of gas-fermentation reactors are presented where gas mixtures with varying compositions of CO2/CH4/CO/H2 are imposed at the sparger boundaries. The spatio-temporal variations in bubble-size distribution and mass transfer coefficient are analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors. This work will also examine the performance of different reactor designs, viz. bubble column reactor, airlift reactor with an internal draft tube, and a stirred-tank reactor with Rushton impellers. Reactor mass-transfer coefficient, gas hold-up, and dissolved gas distribution are critically analyzed among reactors, and sensitivity studies pertaining to gas flow rates and reactor geometry will be presented. [1] Weller, H., Tabor, G., Jasak, H. and Fureby, C., A tensorial approach to computational continuum mechanics using object-oriented techniques, Computers in physics, 12, 6, 620--631, 1998. [2] Rahimi, M., Sitaraman, H., Humbird, D. and Stickel, J., Computational fluid dynamics study of full-scale aerobic bioreactors: Evaluation of gas-liquid mass transfer, oxygen uptake, and dynamic oxygen distribution, Chemical Engineering Research and Design, 139: 283-295.

BIOMASS FUELS↗
DOE OSTI1996

Nuclear Safety [Vol. 37, No. 1, January-March 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 A Decision Support System for Maintenance Management of a Boiling-Water Reactor Power Plant, J. H. Shen, A. Ray, and S. Levine; ACCIDENT ANALYSIS: 12 On Prediction of the Ignition Potential of Uranium Metal and Hydride, M. Epstein, W. Luangdilok, M. G. Plys, and H. K. Fauske; 26 An Overview of the Primary Parameters and Methods for Determining Condensation Heat Transfer to Containment Structures, J. Green and K. Almenas; DESIGN FEATURES: 49 Modem Tornado Design of Nuclear and Other Potentially Hazardous Facilities, J. D. Stevenson and Y. Zaho; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 73 1994 Accident Sequence Precursor Program Results, R. J. Belles, J. W. Cletcher, D. A. Copinger, B. W. Dolan, J. W. Minarick, and P. D. O'Reilly; ANNOUNCEMENTS: 93 American Institute of Chemical Engineers (AlChE) Spring 1997 National Meeting; 94 European Safety and Reliability Association International Conference on Safety and Reliability ESREL ’97; 95 Criticality Safety Challenges in the Next Decade; 96 21st International Symposium on the Scientific Basis for Nuclear Waste Management; 84 The Authors; 88 Letter to the Editor; 90 Indexes to Nuclear Safety, Volume 36.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Internal combustion engine as a chemical reactor to produce synthesis gas from hydrocarbon feeds

An internal combustion engine is operated at fuel-rich conditions by adjusting one or more operating parameters such as, for example, a throttle, an ignition timing, a load coupled to the engine, a fuel pressure, power to a supercharger, and power to a preheater to maintain a specified engine speed and a temperature of an exhaust gas. Operating the engine under these conditions allows the engine to function as a reformer producing a synthesis gas comprising hydrogen and carbon monoxide.

Carpenter, III, John Reeves↗
NASA NTRS1990

Project LOCOST: Laser or Chemical Hybrid Orbital Space Transport

A potential mission in the late 1990s is the servicing of spacecraft assets located in GEO. The Geosynchronous Operations Support Center (GeoShack) will be supported by a space transfer vehicle based at the Space Station (SS). The vehicle will transport cargo between the SS and the GeoShack. A proposed unmanned, laser or chemical hybrid orbital space transfer vehicle (LOCOST) can be used to efficiently transfer cargo between the two orbits. A preliminary design shows that an unmanned, laser/chemical hybrid vehicle results in the fuel savings needed while still providing fast trip times. The LOCOST vehicle receives a 12 MW laser beam from one Earth orbiting, solar pumped, iodide Laser Power Station (LPS). Two Energy Relay Units (ERU) provide laser beam support during periods of line-of-sight blockage by the Earth. The baseline mission specifies a 13 day round trip transfer time. The ship's configuration consist of an optical train, one hydrogen laser engine, two chemical engines, a 18 m by 29 m box truss, a mission-flexible payload module, and propellant tanks. Overall vehicle dry mass is 8,000 kg. Outbound cargo mass is 20,000 kg, and inbound cargo mass is 6,000 kg. The baseline mission needs 93,000 kg of propellants to complete the scenario. Fully fueled, outbound mission mass is 121,000 kg. A regeneratively cooled, single plasma, laser engine design producing a maximum of 768 N of thrust is utilized along with two traditional chemical engines. The payload module is designed to hold 40,000 kg of cargo, though the baseline mission specifies less. A proposed design of a laser/chemical hybrid vehicle provides a trip time and propellant efficient means to transport cargo from the SS to a GeoShack. Its unique, hybrid propulsion system provides safety through redundancy, allows baseline missions to be efficiently executed, while still allowing for the possibility of larger cargo transfers.

Dixon, Alan↗
DOE OSTI2020

Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials

Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors, which is known to be correlated to valley degeneracy in the electronic band structure. However, there are over 50 known semiconducting half-Heusler phases, and it is not clear how the chemical composition affects the electronic structure. While all the n-type electronic structures have their conduction band minimum at either the Γ - or X -point, there is more diversity in the p-type electronic structures, and the valence band maximum can be at either the Γ -, L -, or W -point. Here, we use high throughput computation and machine learning to compare the valence bands of known half-Heusler compounds and discover new chemical guidelines for promoting the highly degenerate W -point to the valence band maximum. We do this by constructing an “orbital phase diagram” to cluster the variety of electronic structures expressed by these phases into groups, based on the atomic orbitals that contribute most to their valence bands. Then, with the aid of machine learning, we develop new chemical rules that predict the location of the valence band maximum in each of the phases. These rules can be used to engineer band structures with band convergence and high valley degeneracy.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Propulsion Technology Lifecycle Operational Analysis

The paper presents the results of a focused effort performed by the members of the Space Propulsion Synergy Team (SPST) Functional Requirements Sub-team to develop propulsion data to support Advanced Technology Lifecycle Analysis System (ATLAS). This is a spreadsheet application to analyze the impact of technology decisions at a system-of-systems level. Results are summarized in an Excel workbook we call the Technology Tool Box (TTB). The TTB provides data for technology performance, operations, and programmatic parameters in the form of a library of technical information to support analysis tools and/or models. The lifecycle of technologies can be analyzed from this data and particularly useful for system operations involving long running missions. The propulsion technologies in this paper are listed against Chemical Rocket Engines in a Work Breakdown Structure (WBS) format. The overall effort involved establishing four elements: (1) A general purpose Functional System Breakdown Structure (FSBS). (2) Operational Requirements for Rocket Engines. (3) Technology Metric Values associated with Operating Systems (4) Work Breakdown Structure (WBS) of Chemical Rocket Engines The list of Chemical Rocket Engines identified in the WBS is by no means complete. It is planned to update the TTB with a more complete list of available Chemical Rocket Engines for United States (US) engines and add the Foreign rocket engines to the WBS which are available to NASA and the Aerospace Industry. The Operational Technology Metric Values were derived by the SPST Sub-team in the form of the TTB and establishes a database for users to help evaluate and establish the technology level of each Chemical Rocket Engine in the database. The Technology Metric Values will serve as a guide to help determine which rocket engine to invest technology money in for future development.

Robinson, John W.↗
NASA NTRS2015

Review of Nuclear Thermal Propulsion Ground Test Options

High efficiency rocket propulsion systems are essential for humanity to venture beyond the moon. Nuclear Thermal Propulsion (NTP) is a promising alternative to conventional chemical rockets with relatively high thrust and twice the efficiency of highest performing chemical propellant engines. NTP utilizes the coolant of a nuclear reactor to produce propulsive thrust. An NTP engine produces thrust by flowing hydrogen through a nuclear reactor to cool the reactor, heating the hydrogen and expelling it through a rocket nozzle. The hot gaseous hydrogen is nominally expected to be free of radioactive byproducts from the nuclear reactor; however, it has the potential to be contaminated due to off-nominal engine reactor performance. NTP ground testing is more difficult than chemical engine testing since current environmental regulations do not allow/permit open air testing of NTP as was done in the 1960's and 1970's for the Rover/NERVA program. A new and innovative approach to rocket engine ground test is required to mitigate the unique health and safety risks associated with the potential entrainment of radioactive waste from the NTP engine reactor core into the engine exhaust. Several studies have been conducted since the ROVER/NERVA program in the 1970's investigating NTP engine ground test options to understand the technical feasibility, identify technical challenges and associated risks and provide rough order of magnitude cost estimates for facility development and test operations. The options can be divided into two distinct schemes; (1) real-time filtering of the engine exhaust and its release to the environment or (2) capture and storage of engine exhaust for subsequent processing.

Coote, David J.↗
DOE OSTI2025

Mixed polyamide and polyester upcycling via chemical autoxidation and engineered Pseudomonas putida

Polyamides, such as nylons, are often used in multi-component materials, like textiles and packaging, and are accompanied with unique recycling challenges. Recently, autoxidation and bioconversion has emerged as a tandem approach for the conversion of mixed plastics waste to single products, however the fate of polyamides in these processes is unknown. Here, we optimized the autoxidation of nylon-6 and nylon-6,6 depolymerization, achieving >92 mol% nitrogen recovery from both substrates, predominantly as acetamide, and 20–27 mol% carbon recovery (not including acetamide). Experiments with 13 C-labeled acetic acid demonstrated that the carbon in acetamide was solvent derived. Autoxidation of mixed nylon-6 and poly(ethylene terephthalate) (PET) post-consumer fibers resulted in similar carbon and nitrogen recoveries from nylon, while PET was depolymerized to terephthalic acid (TPA) at >65 C-mol% recovery. Next, we engineered Pseudomonas putida KT2440 to utilize acetamide as the sole carbon and nitrogen source for growth through the constitutive expression of genes encoding amidase enzymes, including a native amidase (PP_0613) shown to be active on C 2 –C 4 amides. Heterologous chromosomal expression of amiE, encoding the amidase from P. aeruginosa, was found to be superior to PP_0613 constitutive expression in genome integrated strains. Prior engineering to enable TPA conversion to β-ketoadipate pathway intermediate protocatechuate was leveraged and combined with deletion of pcaD to produce muconolactone as a product. Finally, a stacked strain engineered for conversion of acetamide, TPA, and DCAs was evaluated on the reaction product from autoxidation of mixed post-consumer nylon and PET fibers without any supplemental nitrogen, achieving quantitative yields in the presence of supplemental carbon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗