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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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NASA NTRS1990

Computational experience with a three-dimensional rotary engine combustion model

A new computer code was developed to analyze the chemically reactive flow and spray combustion processes occurring inside a stratified-charge rotary engine. Mathematical and numerical details of the new code were recently described by the present authors. The results are presented of limited, initial computational trials as a first step in a long-term assessment/validation process. The engine configuration studied was chosen to approximate existing rotary engine flow visualization and hot firing test rigs. Typical results include: (1) pressure and temperature histories, (2) torque generated by the nonuniform pressure distribution within the chamber, (3) energy release rates, and (4) various flow-related phenomena. These are discussed and compared with other predictions reported in the literature. The adequacy or need for improvement in the spray/combustion models and the need for incorporating an appropriate turbulence model are also discussed.

Raju, M. S.↗
NASA NTRS2003

Chemical Modification of Nanotubes for Composites

In the production of mesoscopically-engineered materials based on single-walled carbon nanotubes (SWNTs), monitoring the stages of chemical modification will be an important step in the fabrication of usable composite materials. In our research program we developed tools for studying high-temperature composites with a long-term goal of having such instrumentation available for SWNT composite analyses.

Samulski, Edward T.↗
DOE OSTI2023

Covalent Triazine Framework-Derived Membranes: Engineered Sol–Gel Construction and Gas Separation Application

Covalent triazine frameworks (CTFs) represent one of the most extensively studied organic networks characterized by graphitic π-conjugated structures linked by aza-fused rings, possessing unique features such as compositions of light elements (e.g., C, H, and N), porous architectures abundant heteroatom involvement, and extensively conjugated structures. In addition, the textural and chemical structures of CTFs could be engineered via synthesis control to accommodate diverse applications. CTF materials with notable characteristics, including plentiful (ultra-)micropores, high surface areas, and the presence of CO 2 -philic functional groups involving nitrogen (N), oxygen (O), and fluorine (F), hold great promise as potential candidates for anthropogenic CO 2 capture and sequestration (CCS) applications. However, the conventional high-temperature involved ionothermal procedures and the solution-based coupling pathway only afforded CTF materials in powder form, which is difficult to be processed toward membrane formation. Successful fabrication of CTF-derived membranes will rely on the development of alternative polymerization approaches as well as structural engineering to afford membrane architectures with controllable porosity distribution and active interaction sites with CO 2 benefiting the CO 2 separation procedure. In this Account, a demonstration of the latest progress in the development of CTF-derived membranes was provided. The CTF membranes were mainly synthesized via a superacid (e.g., CF 3 SO 3 H)-promoted sol–gel approach involving the polymerization of aromatic nitrile monomers. The formation of the triazine unit through the trimerization of cyano groups served as the cross-linkers, resulting in the creation of π-conjugated networks alongside the arenes present in the starting materials. The aromatic nitrile monomers with rigid and sterically hindered structures were required to afford CTF membranes with nanoporous architectures. The acidity of the superacid and reactivity of the aromatic monomers played critical roles in the polymerization efficiency. The monomer diversity and synthesis tunability endowed the introduction of CO 2 -philic functionalities (e.g., pyrazole and fluorine) within the CTF skeletons, and integration of ionic moieties was achieved by adopting FSO 3 H with stronger acidity as the catalyst and aromatic nitrile monomers with pyrazine structures. To ensure the successful construction of fluorinated CTF membranes, it is important to avoid any fluorines on the ortho-position of the cyano groups on the benzene ring. Through control over the monomers and reaction conditions, flexible, transparent, and insoluble CTF membranes could be fabricated. The sol–gel method could be further expanded to membrane fabrication through acetyl-to-benzene transformation through synthesis control. The mild oxidation-exfoliation-filtration method was also demonstrated to fabricate substrate-supported CTF membranes. The as-afforded membranes are well characterized to determine the structural features and provide information to study the structure-performance relationship. Here, the application of CTF membranes in CO 2 separation was summarized, focusing on the approaches being developed to enhance CO 2 uptake and separation performance. In addition to utilizing the pristine CTF membranes for gas separation, functionalized carbon molecular sieve membranes could be obtained from the pyrolysis of thermally stable CTF membrane precursors toward efficient CO 2 separation, benefiting from the abundant ultramicropores being created during the pyrolysis/decomposition procedure and involvement of CO 2 -philic functionalities such as fluorine and nitrogen-containing moieties. Based on these achievements, unsolved issues in CTF membrane-related fabrication and applications, including the potential solution approaches, have been proposed to advance the application of CTF membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Dissolution of bulk specimens of silicon nitride

An accurate chemical characterization of silicon nitride has become important in connection with current efforts to incorporate components of this material into advanced heat engines. However, there are problems concerning a chemical analysis of bulk silicon nitride. Current analytical methods require the pulverization of bulk specimens. A pulverization procedure making use of grinding media, on the other hand, will introduce contaminants. A description is given of a dissolution procedure which overcomes these difficulties. It has been found that up to at least 0.6 g solid pieces of various samples of hot pressed and reaction bonded silicon nitride can be decomposed in a mixture of 3 mL hydrofluoric acid and 1 mL nitric acid overnight at 150 C in a Parr bomb. High-purity silicon nitride is completely soluble in nitric acid after treatment in the bomb. Following decomposition, silicon and hydrofluoric acid are volatilized and insoluble fluorides are converted to a soluble form.

Davis, W. F.↗
DOE OSTI2023

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

This report represents the milestone deliverable M2SF-23SN010301072 “Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies” The report provides a status update of FY23 activities for the work package Argillite Disposal work packages for the DOE-NE Spent Fuel Waste Form Science and Technology (SFWST) Program. Clay-rich geological media (often referred as shale or argillite) are among the most abundant type of sedimentary rock near the Earth’s surface. Argillaceous rock formations have the following advantageous attributes for deep geological nuclear waste disposal: widespread geologic occurrence, found in stable geologic settings, low permeability, self-sealing properties, low effective diffusion coefficient, high sorption capacity, and have the appropriate depth and thickness to host nuclear waste repository concepts. The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress (through experiment, modeling, and testing) in the study of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in clay/shale/argillaceous rock. International collaboration activities comprising field-scale heater tests, field data monitoring, and laboratory-scale experiments provide key information on changes to the engineered barrier system (EBS) material exposed high thermal loads. Moreover, consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the engineered barrier system (EBS) design concepts. Chemical and structural analyses of sampled bentonite material from laboratory tests at elevated temperatures are key to the characterization of thermal effects affecting bentonite clay barrier performance. The knowledge provided by these experiments is crucial to constrain the extent of sacrificial zones in the EBS design during the thermal period. Thermal, hydrologic, mechanical, and chemical (THMC) data collected from heater tests and laboratory experiments have been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches to assess issues on coupled processes involving porous media flow, transport, geomechanical phenomena, chemical interactions with barrier/geologic materials, and the development of EBS concepts. These lines of knowledge are central to the design of deep geological backfilled repository concepts where temperature plays a key role in the EBS behavior, potential interactions with host rock, and long-term performance in the safety assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2017

Robust Exploration and Commercial Missions to the Moon Using LANTR Propulsion and In-Situ Propellants Derived from Lunar Polar Ice (LPI) Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable access through cislunar space necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (Isp 900 s) twice that of todays best chemical rockets. Nuclear lunar transfer vehicles consisting of a propulsion stage using three approx.16.5 klbf "Small Nuclear Rocket Engines (SNREs)", an in-line propellant tank, plus the payload can enable a variety of reusable lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong "tourism" missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in-situ propellant production used to supply strategically located propellant depots and transportation nodes. The processing of LPI deposits (estimated to be approx. 2 billion metric tons) for propellant production - specifically liquid oxygen (LO2) and hydrogen (LH2) can significantly reduce the launch mass requirements from Earth and can enable reusable, surface-based lunar landing vehicles (LLVs) using LO2/LH2 chemical rocket engines. Afterwards, LO2/LH2 propellant depots can be established in lunar polar and equatorial orbits to supply the LTS. At this point a modified version of the conventional NTR called the LO2-augmented NTR, or LANTR would be introduced into the LTS allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants (LDPs) for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an afterburner into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engines choked sonic throat essentially scramjet propulsion in reverse. By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and Isp values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short transit time crewed cargo transports. Even a commuter shuttle service may be possible allowing one-way trip times to and from the Moon on the order of 36 hours or less. If only 1 of the postulated water ice trapped in deep shadowed craters at the lunar poles were available for use in lunar orbit, such a supply could support daily commuter flights to the Moon for many thousands of years! The proposed paper outlines an evolutionary mission architecture and examines a variety of mission types and transfer vehicle designs, along with the increasing demands on LDP production as mission complexity and delta V requirements increase. A comparison of vehicle features and engine operating characteristics are also provided together with a discussion of the propellant production and mining requirements, and issues, associated with using LPI as the source material.

Nuclear Thermal Propulsion↗
NASA NTRS2017

Robust Exploration and Commercial Missions to the Moon Using LANTR Propulsion and Lunar Liquid Oxygen Derived from FeO-Rich Pyroclastic Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable access through cislunar space necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (Isp approx.900 s) twice that of todays best chemical rockets. Nuclear lunar transfer vehicles consisting of a propulsion stage using three approx.16.5 klbf Small Nuclear Rocket Engines (SNREs), an in-line propellant tank, plus the payload can enable a variety of reusable lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong tourism missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in-situ propellant production used to supply strategically located propellant depots and transportation nodes. The use of lunar liquid oxygen (LLO2) derived from iron oxide (FeO)-rich volcanic glass beads, found in numerous pyroclastic deposits on the Moon, can significantly reduce the launch mass requirements from Earth by enabling reusable, surface-based lunar landing vehicles (LLVs) using liquid oxygen/hydrogen (LO2/H2) chemical rocket engines. Afterwards, a LO2/H2 propellant depot can be established in lunar equatorial orbit to supply the LTS. At this point a modified version of the conventional NTR called the LOX-augmented NTR, or LANTR is introduced into the LTS allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an afterburner into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engines choked sonic throat - essentially scramjet propulsion in reverse. By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and Isp values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short transit time crewed cargo transports. Even a commuter shuttle service may be possible allowing one-way trip times to and from the Moon on the order of 36 hours or less. If only 1 of the extracted LLO2 propellant from identified resource sites were available for use in lunar orbit, such a supply could support daily commuter flights to the Moon for many thousands of years! The proposed paper outlines an evolutionary architecture and examines a variety of mission types and transfer vehicle designs, along with the increasing demands on LLO2 production as mission complexity and (Delta)V requirements increase. A comparison of vehicle features and engine operating characteristics, for both NTR and LANTR engines, is also provided along with a discussion of the propellant production and mining requirements associated with using FeO-rich volcanic glass as source material.

Nuclear rocket engines↗
DOE OSTI2026

Data for High Yield Production of 3-Hydroxypropionic Acid Using Issatchenkia orientalis

Biomanufacturing provides a more sustainable alternative to fossil-based chemical manufacturing. 3-Hydroxypropionic acid (3HP) is a top Department of Energy value-added chemical and precursor to bioplastics, yet cost-effective microbial production remains elusive. Here, we establish the acid-tolerant yeast Issatchenkia orientalis as a robust host for low-pH 3HP biosynthesis. Genome-scale modeling identifies the β-alanine pathway as optimal, offering the highest theoretical yield and lowest oxygen requirement. Thermodynamic analysis confirms its favorability under acidic conditions. Using sequence similarity network analysis, we discover highly active aspartate 1-decarboxylase (PAND), β-alanine-pyruvate aminotransferase (BAPAT), and 3HP dehydrogenase (YDFG), which significantly improve the pathway efficiency. Next, to further elevate the production, pathway optimization through multi-copy PAND integration, byproduct elimination (knockouts of pyruvate decarboxylase and glycerol-3-phosphate dehydrogenase), and reinforcement of aspartate flux by overexpression of pyruvate carboxylase and aspartate amino transferase improves the titer to 29 g/L in shake flasks. Fed-batch fermentation at pH 4 with low-cost corn steep liquor medium further increases the production to 92 g/L with 0.7 g/g yield and 0.55 g/L/h productivity. Techno-economic analysis indicates that such performance could potentially enable a financially viable process for sustainable acrylic acid production. This work establishes I. orientalis as a next-generation platform for cost-effective 3HP production and paves the way toward industrial commercialization.

Bioproducts↗
DOE OSTI2025

Thermophilic site-specific recombination system for rapid insertion of heterologous DNA into the Clostridium thermocellum chromosome

Clostridium thermocellum is an anaerobic thermophile capable of producing ethanol and other commodity chemicals from lignocellulosic biomass. The insertion of heterologous DNA into the C. thermocellum chromosome is currently achieved via a time-consuming homologous recombination process, where a single stable insertion can take 2–4 weeks or more to construct. In this work, we developed a thermostable version of the Serine recombinase Assisted Genome Engineering (tSAGE) approach for gene insertion in C. thermocellum utilizing a site-specific recombinase from Geobacillus sp. Y412MC61, enabling quick and easy insertion of DNA into the chromosome for accelerated genetic tool screening and heterologous gene expression. Using tSAGE, chromosomal insertion of plasmid DNA occurred at a maximum transformation efficiency of 5 × 10 3 CFU/µg, which is comparable to the transformation efficiency of a replicating control plasmid in C. thermocellum. Using tSAGE, we chromosomally integrated and characterized 17 reporter genes, 15 homologous and 31 heterologous constitutive promoters of varying strengths, 4 inducible promoters, and 5 riboswitches in C. thermocellum. We also determined that a 6–7 nucleotide gap between the ribosome binding site (RBS) and the start codon is optimal for high expression by employing a library of superfolder green fluorescent protein expression constructs driven by our strongest tested promoter (P clo1313_1194 ) with different distances between the RBS and start codon. The tools developed here will aid in accelerating C. thermocellum strain engineering for producing sustainable fuels and chemicals directly from plant biomass.

Biofuels↗
DOE OSTI2020

Verification of diesel spray ignition phenomenon in dual-fuel diesel-piloted premixed natural gas engine

Dual-fuel (DF) engines, in which premixed natural gas and air in an open-type combustion chamber is ignited by diesel-fuel pilot sprays, have been more popular for marine use than pre-chamber spark ignition (PCSI) engines because of their superior durability. However, control of ignition and combustion in DF engines is more difficult than in PCSI engines. In this context, here we focus on the ignition stability of n-heptane pilot-fuel jets injected into a compressed premixed charge of natural gas and air at low-load conditions. To aid understanding of the experimental data, chemical-kinetics simulations were carried out in a simplified engine-environment that provided insight into the chemical effects of methane (CH4) on pilot-fuel ignition. The simulations reveal that CH4 has an effect on both stages of n-heptane autoignition: the small, first-stage, cool-flame-type, low-temperature ignition (LTI) and the larger, second-stage, high-temperature ignition (HTI). As the ratio of pilot-fuel to CH4 entrained into the spray decreases, the initial oxidization of CH4 consumes the OH radicals produced by pilot-fuel decomposition during LTI, thereby inhibiting its progression to HTI. Using imaging diagnostics, the spatial and temporal progression of LTI and HTI in DF combustion are measured in a heavy-duty optical engine, and the imaging data are analyzed to understand the cause of severe fluctuations in ignition timing and combustion completeness at low-load conditions. Images of cool-flame and hydroxyl radical (OH*) chemiluminescence serve as indicators of LTI and HTI, respectively. The cycle-to-cycle and spatial variation in ignition extracted from the imaging data are used as key metrics of comparison. The imaging data indicate that the local concentration of the pilot-fuel and the richness of the surrounding natural-gas air mixture are important for LTI and HTI, but in different ways. In particular, higher injection pressures and shorter injection durations increase the mixing rate, leading to lower concentrations of pilot-fuel more quickly, which can inhibit HTI even as LTI remains relatively robust. Decreasing the injection pressure from 80 MPa to 40 MPa and increasing the injection duration from 500 µs to 760 µs maintained constant pilot-fuel mass, while promoting robust transition from LTI to HTI by effectively slowing the mixing rate. This allows enough residence time for the OH radicals, produced by the two-stage ignition chemistry of the pilot-fuel, to accelerate the transition from LTI to HTI before being consumed by CH4 oxidation. Thus from a practical perspective, for a premixed natural gas fuel–air equivalence-ratio, it is possible to improve the “stability” of the combustion process by solely manipulating the pilot-fuel injection parameters while maintaining constant mass of injected pilot-fuel. This allows for tailoring mixing trajectories to offset changes in fuel ignition chemistry, so as to promote a robust transition from LTI to HTI by changing the balance between the local concentration of the pilot-fuel and richness of the premixed natural gas and air. This could prove to be a valuable tool for combustion design to improve fuel efficiency or reduce noise or perhaps even reduce heat-transfer losses by locating early combustion away from in-cylinder walls.

42 ENGINEERING↗
DOE OSTI2023

Engineering Escherichia coli for selective 1-decanol production using the reverse β-oxidation (rBOX) pathway

1-Decanol has great value in the pharmaceutical and fragrance industries and plays an important role in the chemical industry. Here, in this study, we engineered Escherichia coli to selectively synthesize 1-decanol by using enzymes of the core reverse β-oxidation (rBOX) pathway and termination module with overlapping chain-length specificity. Through screening for acyl-CoA reductase termination enzymes and proper regulation of rBOX pathway expression, a 1-decanol titer of 1.4 g/L was achieved. Further improvements were realized by engineering pyruvate dissimilation to ensure the generation of NADH through pyruvate dehydrogenase (PDH) and reducing byproduct synthesis via a tailored YigI thioesterase knockout, increasing 1-decanol titer to 1.9 g/L. The engineered strain produced about 4.4 g/L 1-decanol with a yield of 0.21 g/g in 36 hours in a bi-phasic fermentation that used a dodecane overlay to increase 1-decanol transport and reduce its toxicity. Adjustment of pathway expression (varying inducer concentration) and cell growth (oxygen availability) enabled 1-decanol production at 6.1 g/L (0.26 g/g yield) and 10.05 g/L (0.2 g/g yield) using rich in shake flasks and bioreactor, respectively. Remarkably, the use of minimal medium resulted in 1-decanol production at 100% specificity at 2.8 g/L (0.14 g/g yield) and a per cell mass yield higher than rich medium. These 1-decanol titers, yields and purity are at least 10-fold higher than others reported to date and the engineered strain shows great potential for industrial production. Taken together, our findings suggest that using rBOX pathway and termination enzymes of proper chain-length specificity in combination with optimal chassis engineering should be an effective approach for the selective production of alcohols.

1-decanol↗
DOE OSTI2024

Nuclear Technology Selection and Preliminary Integration at St. Charles and Carrollton Chemical Plants

Nuclear energy is identified as a valuable candidate for decarbonizing industrial facilities as a non-emitting baseload energy source capable of dispatching energy as needed for an integrated facility. As industrial facilities are unique, analyzing what nuclear technology is the best candidate should be evaluated on a case-by-case basis. For two identified facilities of the Dow Chemical Company, an ideal mix of nuclear energy resources is calculated, and integration strategies are put forward. This research was funded through a Gateway for Accelerated Innovation in Nuclear (GAIN) Nuclear Energy Voucher, specifically seeking near-term engineering solutions for the technical issue of introducing nuclear generated energy into the Dow chemical facilities. The research is split into four main phases: background on reactors and chemical facilities, preliminary engineering analysis determining how reactor technologies may be integrated with specific facilities, site characterization and discrete hazards analysis, and finally an optimization of reactor-facility selection through the use of Framework for Optimization of ResourCes and Economics (FORCE) tools.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Molecular engineering of ethereal electrolyte for ultrastable Si-based high voltage full cells

The successful application of Si-based high-energy Li-ion batteries (LIBs) depends on our ability to tailor electrolyte properties to achieve long-term stability and reliable performance. In this work, we demonstrate our rationale for the molecular design of ethereal solvents to address low anodic stability issues and produce a highly electrochemically stable electrolyte for Si‖LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) high-energy full cells. Unlike the trimethylsilyl group, the trifluoromethyl (–CF 3 ) group exerts a very strong electron-withdrawing effect on the glycol ether backbone, reducing the highest occupied molecular orbital (HOMO) energy level of the fluorinated glycol ether (FGE) and significantly enhancing its oxidation potential. The FGE-based electrolyte enables stable cycling of Si‖NMC811 full cells, delivering high specific capacity (900 mA h g −1 ) and coulombic efficiency (>99.78%) over extended (500) cycles. The improved electrochemical performance originates from the terminal fluorination of the diglyme backbone, which strengthens anion coordination in the solvation structure, leading to the preferential reduction of the FSI anion and the formation of robust solid electrolyte interphases (SEIs) on the Si surface. Through molecular engineering of ethereal solvents, we have discovered a promising candidate for a next-generation stable electrolyte, paving the way for the design of practical and commercially viable Si batteries.

Silicon anode↗
DOE OSTI2021

Integration of proteomics and metabolomics into the Design, Build, Test, Learn cycle to improve 3-hydroxypropionic acid production in Aspergillus pseudoterreus

Biological engineering of microorganisms to produce value-added chemicals is a promising route to sustainable manufacturing. However, overproduction of metabolic intermediates at high titer, rate, and yield from inexpensive substrates is challenging in non-model systems where limited information is available regarding metabolic flux and its control in production conditions. Integrated multi-omic analyses of engineered strains offers an in-depth look at metabolites and proteins directly involved in growth and production of target and non-target bioproducts. Here we applied multi-omic analyses to overproduction of the polymer precursor 3-hydroxypropionic acid (3HP) in the filamentous fungus Aspergillus pseudoterreus. A synthetic pathway consisting of aspartate decarboxylase, beta-alanine pyruvate transaminase, and 3HP dehydrogenase was designed and built for A. pseudoterreus. Strains with single- and multi-copy integration events were isolated and multi-omics analysis consisting of intracellular and extracellular metabolomics and targeted and global proteomics was used to interrogate the strains in shake-flask and bioreactor conditions. Production of a variety of co-products (organic acids and glycerol) and oxidative degradation of 3HP were identified as metabolic pathways competing with 3HP production. Intracellular accumulation of nitrogen as 2,4-diaminobutanoate was identified as an off-target nitrogen sink that may also limit flux through the engineered 3HP pathway. Elimination of the high-expression oxidative 3HP degradation pathway by deletion of a putative malonate semialdehyde dehydrogenase improved the yield of 3HP by 3.4× after 10 days in shake-flask culture. This is the first report of 3HP production in a filamentous fungus amenable to industrial scale biomanufacturing of organic acids at high titer and low pH.

Pomraning, Kyle R.↗
DOE OSTI2021

Scalable nanomanufacturing of chalcogenide inks: a case study on thermoelectric V–VI nanoplates

Solution-processed semiconducting main-group chalcogenides (MMCs) have attracted increasing research interest for next-generation device technologies owing to their unique nanostructures and superior properties. To achieve the full potential of MMCs, the development of highly universal, scalable, and sustainable synthesis and processing methods of chalcogenide particles is thus becoming progressively more important. Here we studied scalable factors for the synthesis of two-dimensional (2D) V–VI chalcogenide nanoplates (M 2 Q 3 : M = Sb, Bi; Q = Se, Te) and systematically investigated their colloidal behaviour and chemical stability. Based on a solvent engineering technique, we demonstrated scale-up syntheses of MMCs up to a 900% increase of batch size compared with conventional hydrazine-based gram-level syntheses, and such a scalable approach is highly applicable to various binary and ternary MMCs. Furthermore, we studied the stability of printable chalcogenide nanoparticle inks with several formulation factors including solvents, additives, and pH values, resulting in inks with high chemical stability (>4 months). As a proof of concept, we applied our solution-processed chalcogenide particles to multiple additive manufacturing methods, confirming the high printability and processability of MMC inks. Furthermore, the ability to combine the top-down designing freedom of additive manufacturing with bottom-up scalable synthesis of chalcogenide particles promises great opportunities for large-scale design and manufacturing of chalcogenide-based functional devices for broad application.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Computational Chemistry and Lubrication

Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

Zehe, Michael J.↗
NASA NTRS2018

Robust Exploration and Commercial Missions to the Moon Using Nuclear Thermal Rocket Propulsion and In Situ Propellants Derived from Lunar Polar Ice Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable “access through cislunar space” necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (I(sub sp) ~900 s)— twice that of today’s best chemical rockets. Nuclear lunar transfer vehicles—consisting of a propulsion stage using three ~16.5-klb(sub f) small nuclear rocket engines (SNREs), an in-line propellant tank, plus the payload—can enable a variety of reusable lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong “tourism” missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in situ propellant production used to supply strategically located propellant depots and transportation nodes. The processing of lunar polar ice (LPI) deposits (estimated to be ~2 billion metric tons) for propellant production—specifically liquid oxygen (LO(sub 2)) and hydrogen (LH(sub 2))—can significantly reduce the launch mass requirements from Earth and can enable reusable, surface-based lunar landing vehicles (LLVs) using LO(sub 2)/LH(sub 2) chemical rocket engines. Afterwards, LO(sub 2)/LH(sub 2) propellant depots can be established in lunar polar and equatorial orbits to supply the LTS. At this point a modified version of the conventional NTR called the LO(sub 2)-augmented NTR, or LANTR, would be introduced into the LTS, allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants (LDPs) for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an “afterburner” into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engine’s choked sonic throat—essentially “scramjet propulsion in reverse.” By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and I(sub sp) values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short transit time crewed cargo transports. Even a “commuter” shuttle service may be possible, allowing “one-way” trip times to and from the Moon on the order of 36 hr or less. If only 1% of the postulated trapped water ice were available for use in lunar orbit, such a supply could support routine commuter flights to the Moon for many thousands of years. This report outlines an evolving LTS architecture that uses propellants derived from LPI and examines a variety of mission types and transfer vehicle designs along with their operating characteristics and increasing demands on LDP production as mission complexity and velocity change ΔV requirements increase. A comparison of the LDP production and mining requirements using LPI and volcanic glass to produce lunar-derived liquid oxygen (LUNOX) via the hydrogen reduction process is included, and the synergy with an evolving helium-3 mining industry is also discussed.

Borowski, Stanley K.↗