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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Long-Term Thermal Aging of Modified Sylgard 184 Formulations

Primarily used as an encapsulant and soft adhesive, Sylgard 184 is an engineered, high-performance silicone polymer that has applications spanning microfluidics, microelectromechanical systems, mechanobiology, and protecting electronic and non-electronic devices and equipment. Despite its ubiquity, there are improvements to be considered, namely, decreasing its gel point at room temperature, understanding volatile gas products upon aging, and determining how material properties change over its lifespan. In this work, these aspects were investigated by incorporating well-defined compounds (the Ashby–Karstedt catalyst and tetrakis (dimethylsiloxy) silane) into Sylgard 184 to make modified formulations. As a result of these additions, the curing time at room temperature was accelerated, which allowed for Sylgard 184 to be useful within a much shorter time frame. Additionally, long-term thermal accelerated aging was performed on Sylgard 184 and its modifications in order to create predictive lifetime models for its volatile gas generation and material properties.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Electronic materials high-T(sub c) superconductivity polymers and composites structural materials surface science and catalysts industry participation

The fifth year of the Center for Advanced Materials was marked primarily by the significant scientific accomplishments of the research programs. The Electronics Materials program continued its work on the growth and characterization of gallium arsenide crystals, and the development of theories to understand the nature and distribution of defects in the crystals. The High Tc Superconductivity Program continued to make significant contributions to the field in theoretical and experimental work on both bulk materials and thin films and devices. The Ceramic Processing group developed a new technique for cladding YBCO superconductors for high current applications in work with the Electric Power Research Institute. The Polymers and Composites program published a number of important studies involving atomistic simulations of polymer surfaces with excellent correlations to experimental results. The new Enzymatic Synthesis of Materials project produced its first fluorinated polymers and successfully began engineering enzymes designed for materials synthesis. The structural Materials Program continued work on novel alloys, development of processing methods for advanced ceramics, and characterization of mechanical properties of these materials, including the newly documented characterization of cyclic fatigue crack propagation behavior in toughened ceramics. Finally, the Surface Science and Catalysis program made significant contributions to the understanding of microporous catalysts and the nature of surface structures and interface compounds.

Source record↗
NASA NTRS1998

Modeling Macro- and Micro-Scale Turbulent Mixing and Chemistry in Engine Exhaust Plumes

Simulation of turbulent mixing and chemical processes in the near-field plume and plume-vortex regimes has been successfully carried out recently using a reduced gas phase kinetics mechanism which substantially decreased the computational cost. A detailed mechanism including gas phase HOx, NOx, and SOx chemistry between the aircraft exhaust and the ambient air in near-field aircraft plumes is compiled. A reduced mechanism capturing the major chemical pathways is developed. Predictions by the reduced mechanism are found to be in good agreement with those by the detailed mechanism. With the reduced chemistry, the computer CPU time is saved by a factor of more than 3.5 for the near-field plume modeling. Distributions of major chemical species are obtained and analyzed. The computed sensitivities of major species with respect to reaction step are deduced for identification of the dominant gas phase kinetic reaction pathways in the jet plume. Both the near field plume and the plume-vortex regimes were investigated using advanced mixing models. In the near field, a stand-alone mixing model was used to investigate the impact of turbulent mixing on the micro- and macro-scale mixing processes using a reduced reaction kinetics model. The plume-vortex regime was simulated using a large-eddy simulation model. Vortex plume behind Boeing 737 and 747 aircraft was simulated along with relevant kinetics. Many features of the computed flow field show reasonable agreement with data. The entrainment of the engine plumes into the wing tip vortices and also the partial detrainment of the plume were numerically captured. The impact of fluid mechanics on the chemical processes was also studied. Results show that there are significant differences between spatial and temporal simulations especially in the predicted SO3 concentrations. This has important implications for the prediction of sulfuric acid aerosols in the wake and may partly explain the discrepancy between past numerical studies (that employed parabolic or temporal approximations) and the measured data. Finally to address the major uncertainty in the near-field plume modeling related to the plume processing of sulfur compounds and advanced model was developed to evaluate its impact on the chemical processes in the near wake. A comprehensive aerosol model is developed and it is coupled with chemical kinetics and the axisymmetric turbulent jet flow models. The integrated model is used to simulate microphysical processes in the near-field jet plume, including sulfuric acid and water binary homogeneous nucleation, coagulation, non-equilibrium heteromolecular condensation, and sulfur-induced soot activation. The formation and evolution of aerosols are computed and analyzed. The computed results show that a large number of ultra-fine (0.3--0.6 nm in radius) volatile HSO4 - HO embryos are generated in the near-field plume. These embryos further grow in size by self coagulation and condensation. Soot particles can be activated by both heterogeneous nucleation and scavenging of H2SO4-H2O aerosols. These activated soot particles can serve as water condensation nuclei for contrail formation. Conditions under which ice contrails can form behind aircrafts are studied. The sensitivities of the threshold temperature for contrail formation with respect to aircraft propulsion efficiency, relative humidity, and ambient pressure are evaluated. The computed aerosol properties for different extent of fuel sulfur conversion to S(VI) (SO3 and H2SO4) in engine are examined and the results are found to be sensitive to this conversion fraction.

Menon, Suresh↗
DOE OSTI2023

Atomic-Layer Engineering of La 2-x Sr x CuO 4 —La 2-x Sr x ZnO 4 Heterostructures

The fabrication of trilayer superconductor-insulator-superconductor (SIS) Josephson junctions with high-temperature superconductor (HTS) electrodes requires atomically perfect interfaces. Therefore, despite great interest and efforts, this remained a challenge for over three decades. Here, we report the discovery of a new family of metastable materials, La 2-x Sr x ZnO 4 (LSZO), synthesized by atomic-layer-by-layer molecular beam epitaxy (ALL-MBE). We show that LSZO is insulating and epitaxially compatible with an HTS compound, La 2-x Sr x CuO 4 (LSCO). Since the “parent” compound La 2-x Sr x ZnO 4 (LZO) is easier to grow, here we focus on this material as our insulating layer. Growing LZO at very low temperatures to reduce cation interdiffusion makes LSCO/LZO interfaces atomically sharp. We show that in LSCO/LZO/LSCO trilayers, the superconducting properties of the LSCO electrodes remain undiminished, unlike in previous attempts with insulator barriers made of other materials. This opens prospects to produce high-quality HTS tunnel junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microbial assimilation of lignin-derived aromatic compounds and conversion to value-added products

Lignin is an abundant and sustainable source of aromatic compounds that can be converted to value-added products. However, lignin is underutilized, since depolymerization produces a complex mixture of aromatic compounds that is difficult to convert to a single product. Microbial conversion of mixed aromatic substrates provides a potential solution to this conversion challenge. Recent advances have expanded the range of lignin-derived aromatic substrates that can be assimilated and demonstrated efficient conversion via central metabolism to new potential products. Here, the development of additional non-model microbial hosts and genetic tools for these hosts have accelerated engineering efforts. However, yields with real depolymerized lignin are still low, and additional work will be required to achieve viable conversion processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Modeling the effects of geoengineering; Report on the Eighth Annual GeoMIP Meeting, Zürich, Switzerland, 16–17 April 2018

The study of geoengineering (deliberate, temporary modification of the climate system; also called “climate intervention” or “climate engineering”) is increasingly receiving attention as a potential method of reducing the most severe negative effects of climate change. If decision makers are going to seriously consider geoengineering as an option, they need to understand the risks of deploying geoengineering, as well as the risks of not doing so. Because large-scale outdoor climate-perturbing field experiments of geoengineering methods, such as injecting several megatons of sulfur compounds into the stratosphere, are not viable, the best tools available to understand this topic are global climate models. By comparing the results from multiple global climate models, scientists can understand and potentially reduce key uncertainties in the expected impacts of geoengineering on climate and society.

Kravitz, Benjamin S.↗
DOE OSTI2016

Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor

The influenza endonuclease is an essential subdomain of the viral RNA polymerase. It processes host pre-mRNAs to serve as primers for viral mRNA and is an attractive target for antiinfluenza drug discovery. Compound L-742,001 is a prototypical endonuclease inhibitor, and we found that repeated passaging of influenza virus in the presence of this drug did not lead to the development of resistant mutant strains. Reduced sensitivity to L-742,001 could only be induced by creating point mutations via a random mutagenesis strategy. Furthermore, these mutations mapped to the endonuclease active site where they can directly impact inhibitor binding. Engineered viruses containing the mutations showed resistance to L-742,001 both in vitro and in vivo, with only a modest reduction in fitness. Introduction of the mutations into a second virus also increased its resistance to the inhibitor. When using the isolated wild-type and mutant endonuclease domains, we used kinetics, inhibitor binding and crystallography to characterize how the two most significant mutations elicit resistance to L-742,001. These studies lay the foundation for the development of a new class of influenza therapeutics with reduced potential for the development of clinical endonuclease inhibitor-resistant influenza strains.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Anomalous Auger Recombination in PbSe

Using first-principles approaches we find that the Auger recombination in PbSe is anomalous in three distinct ways. First, the direct Auger coefficient is 4 orders of magnitude lower than that of other semiconductors with similar band gaps, a result that can be attributed to the lack of involvement of a heavy-hole band. Second, phonon-assisted indirect Auger recombination prevails, contrary to the common belief that direct Auger is dominant in narrow-gap semiconductors. Third, an unexpectedly weak temperature dependence of the Auger coefficient is observed, which we can now attribute to the indirect nature of the Auger process. The widely accepted explanation of this behavior in terms of an unusual temperature dependence of the band gap is only a secondary effect. Furthermore, our results elucidate the mechanisms underlying the anomalous Auger recombination in IV-VI semiconductors in general, which is critical for understanding and engineering carrier transport.

36 MATERIALS SCIENCE↗
DOE OSTI2017

In-situ X-Ray Analysis of Rapid Thermal Processing for Thin-Film Solar Cells: Closing the Gap between Production and Laboratory Efficiency

For materials synthesis, it is well known that the material final state may not reach equilibrium and depends on the synthetic process. In particular, processes that quickly remove the available energy from the material may leave it in a metastable state and the metastability may actually impart desirable functional properties. By its very nature, Rapid thermal processing (RTP) is ideally suited to produce such metastable materials. However, metastability and the dynamics of reaching a metastable state are poorly understood, since this is best accomplished through in situ monitoring. In this regard, RTP is particularly challenging as the processing time are very short (seconds to minutes). As a result, there is only poor understanding, and hence use, of RTP in industry. This is potentially a cost-increasing limitation, because RTP can decrease cost by decreasing processing time, and as such, increase throughput and decrease the total thermal budget of processing - a significant cost. RTP is already being used for key processing steps in PV technologies. With silicon wafer PV, it is used for establishing electrical contact between the Ag metal grid and the silicon (known as firing). In this process, a silicon wafer with deposited metal/frit in a grid pattern is heated rapidly to temperatures between 750 and 800 ºC. The processing time when the temperature is held above 600ºC is short (<5 seconds). This process has historically been optimized empirically and it is unclear how the thermal processing affects formation of the final contact between the metal and the silicon. In the case of thin-film PV, RTP has been demonstrated in the process of making absorber layers, i.e. CIGS and CZTS. Use of RTP can reduce the processing time from 10s of minutes to seconds, reducing the thermal budget and increasing the throughput significantly. The conversion from precursor material to final PV material is not well understood, and most of the process optimization is done empirically. Again, the proposed in situ monitoring will provide insight into the conversion process. We have developed a unique instrument for in situ monitoring of the reaction process during RTP. The most fundamental property to monitor is the atomic arrangement (for solids, crystalline structure) and thus we have focused on this property. The chamber was designed to collect X-ray diffraction (XRD) for crystal phase determination, although it has lent insight in the formation of liquids. We designed and constructed both inert (air) and reactive (S/Se) versions of this chamber. We have applied the RTP-XRD methodology to: silicon solar cell electrical contact formation; the reaction sequence for forming CIGS PV thin films from copper selenide and indium gallium selenide precursors; the phase sequence for forming HC(NH2)2PbI3 (FAPbI3) and CH3NH3PbI3 (MAPbI3) hybrid-perovskite PV thin films. The RTP instrument enables real-time collection of X-ray diffraction data with intervals as short as 100 ms, and while heating at ramp rates as high 100 ºCs-1 up to 1200 ºC. The system is portable and can be installed on a synchrotron beamline. The RTP reactor consists of a metallic body (front cap assembly, central block and end cap assembly) that houses a quartz reaction chamber. The sample is secured inside the reaction chamber on a sample holder connected to the front-cap assembly. Modifications of the chamber were made for safely handling sulfur and selenium vapor environments. A Se/S source holder was added to generate a Se/S over pressure in the chamber on heating and the entrance window is made wider in order to accommodate the detachable additional holder. Se/S are toxic in nature and therefore a proper Se/S trapping is used before releasing the gases to exhaust. Screen-printing provides an economically attractive means for making Ag electrical contacts to Si solar cells, but the use of Ag substantiates a significant manufacturing cost, and the glass frit used in the paste to enable contact formation contains Pb. To achieve optimal electrical performance and to develop pastes with alternative, abundant, and non-toxic materials requires understanding the contact formation process during firing. We use the RTP-XRD chamber during firing of Ag-Si contacts to reveal the reaction sequence for contact formation. The findings show that between 500 ºC and 650 ºC PbO in the frit etches the SiNx antireflective-coating on the solar cell, exposing the Si surface. Then, above 650 ºC, Ag+ dissolves into the molten glass frit – key for enabling deposition of metallic Ag on the emitter surface and precipitation of Ag nanocrystals within the glass. This clarifies contact formation mechanisms and can be used to suggest approaches for development of inexpensive, nontoxic solar cell contacting pastes. We used the RTP/XRD chamber to study the formation of CuInGaS/Se (CIGS) PV films by in-situ selenization of pre-deposited metal stacks and annealing of pre-deposited Cu-In-Ga-Se precursors. During the metal stack selenization, we observed that Se first reacts with the metals and forms selenides. We observed formation of intermetallics such as Cu2In and binary selenides during heating. On further annealing in a Se atmosphere, CuInSe2 and CuGaSe2 forms which on heating up to 550 °C reacts further to form the CIGS phase. On prolonged exposure to 550 °C for more than 5 mins or higher temperature, we see separation into Ga-rich and Ga-depleted CIGS phases. On introducing a holding step at 400 °C for 10 min during the annealing ramp, the CIGS phase (forms between 500-550 °C), appears to be less prone to decomposition into high-Ga and low-Ga phases during holding at peak temperature. Lead halide perovskites have emerged as successful optoelectronic materials with high photovoltaic power conversion efficiencies and low material cost. However, substantial challenges remain in the scalability, stability and fundamental understanding of the materials. We demonstrated the application of radiative thermal annealing, an easily scalable processing method, for synthesizing formamidinium lead iodide (FAPbI3) perovskite solar absorbers. Devices fabricated from films formed via radiative thermal annealing have equivalent efficiencies to those annealed using a conventional hotplate. By coupling results from in situ x-ray diffraction using a radiative thermal annealing system with device performances, we mapped the processing phase space of FAPbI3 and corresponding device efficiencies. Our map of processing-structure-performance space suggests the commonly used FAPbI3 annealing time, 10 min at 170 °C, can be significantly reduced to 40 s at 170 °C without affecting the photovoltaic performance. Applying the Johnson-Mehl-Avrami model to the decomposition into PbI2, the activation energy was determined. We also presented a well-controlled, manufacturing relevant annealing method, radiative thermal annealing, for the methylammonium lead triiodide films formed by solvent engineering process, with dimethylformamide (DMF) and dimethyl sulfoxide as solvent and diethyl ether as the antisolvent. Radiative thermal annealing can produce high quality perovskite films, evidenced by high efficiency solar cell devices, in a shorter time than the widely-used hotplate annealing. Using in-situ x-ray diffraction during the radiative annealing, we show that the role of the antisolvent is not to form an intermediate compound (a methylammonium iodide, lead iodide, and dimethyl sulfoxide compound) by washing of the main solvent (DMF) but to achieve a pin-hole free, uniform film of methylammonium lead iodide. We find that having the intermediate compound does not guarantee a high quality (pin-hole free) perovskite film. Our study was extended to reveal the effect of annealing environment, annealing temperature profile, and deposition substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ethane-CO2 Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity

Selective adsorption using nanoporous materials is an efficient strategy for separating gas mixtures. In a nanoporous material, pores can exist in different shapes and can have different degrees of inter-connectivity. In recent studies, both pore connectivity and tortuosity have been found to affect the adsorption and dynamical properties of ethane and CO2 in silicalite differently. Here, using Monte Carlo simulations, we investigate if these two attributes can affect the selective adsorption of one component from a mixture of ethane and CO2 in silicalite. For this, the adsorption of an equimolar mixture of ethane and CO2 is simulated in 12 models of silicalite—SnZm (n, m = 0, 1, 2, 3 or 4; with n and m denoting, respectively, the fraction (out of 4) of straight and zigzag channels of silicalite that are available for adsorption)—differing in degrees of pore connectivity and tortuosity. The adsorption selectivity in this system is found to exhibit a reversal with the adsorption dominated by ethane at low pressures (below ~1 atm) and by CO2 at higher pressures (above ~10 atm). Pore connectivity is found to suppress the selective adsorption of CO2 at higher pressures and also shifts the selectivity reversal to higher pressures. The selectivity reversal results from a competition between the polarizability-affected adsorption at lower pressures and efficient packing at higher pressures. The efficient packing of CO2 is a compounded effect resulting from the larger effective pore volume available for CO2 due to its stronger interaction with the pore surface and smaller molecular volume. CO2 molecules show a preference to adsorb in non-tortuous pores, and this preference is found to be stronger in the presence of ethane. The effects of pore connectivity and tortuosity elucidated here should be applicable to a wide range of natural and engineered nanoporous materials, and this knowledge could be used to identify materials with better capability for separating and storing CO2 based on their pore attributes.

Gautam, Siddharth (ORCID:0000000314435382)↗
NASA NTRS2012

NASA Advanced Explorations Systems: Concepts for Logistics to Living

The NASA Advanced Exploration Systems (AES) Logistics Reduction and Repurposing (LRR) project strives to enable a largely mission-independent cradle-to-grave-to-cradle approach to minimize logistics contributions to total mission architecture mass. The goals are to engineer logistics materials, common crew consumables, and container configurations to meet the following five basic goals: 1. Minimize intrinsic logistics mass and improve ground logistics flexibility. 2. Allow logistics components to be directly repurposed for on-orbit non-logistics functions (e.g., crew cabin outfitting) thereby indirectly reducing mass/volume. 3. Compact and process logistics that have not been directly repurposed to generate useful on-orbit components and/or compounds (e.g., radiation shielding, propellant, other usable chemical constituents). 4. Enable long-term stable storage and disposal of logistics end products that cannot be reused or repurposed (e.g., compaction for volume reduction, odor control, and maintenance of crew cabin hygienic conditions). 5. Allow vehicles in different mission phases to share logistics resources. This paper addresses the work being done to meet the second goal, the direct repurposing of logistics components to meet other on-orbit needs, through a strategy termed Logistics to Living (L2L). L2L has several areas but can be defined as repurposing or converting logistical items (bags, containers, foam, components, etc.) into useful crew items or life support augmentation on-orbit after they have provided their primary logistics function. The intent is that by repurposing items, dedicated crew items do not have to be launched and overall launch mass is decreased. For non-LEO missions, the vehicle interior volume will be relatively fixed so L2L will enable this volume to be used more effectively through reuse and rearrangement of logistical components. Past work in the area of L2L has already conceptually developed several potential technologies [Howe, Howard 2010]. Several of the L2L concepts that have shown the most potential in the past are based on NASA cargo transfer bags (CTBs) or their equivalents which are currently used to transfer cargo to and from the ISS. A high percentage of all logistics supplies are packaging mass and for a 6-month mission a crew of four might need over 100 CTBs. These CTBs are used for on-orbit transfer and storage but eventually becomes waste after use since down mass is very limited. The work being done in L2L also considering innovative interior habitat construction that integrate the CTBs into the walls of future habitats. The direct integration could provide multiple functions: launch packaging, stowage, radiation protection, water processing, life support augmentation, as well as structure. Reuse of these CTBs would reduce the amount of waste generated and also significantly reduce future up mass requirements for exploration missions. Also discussed here is the L2L water wall , an innovative reuse of an unfolded CTB as a passive water treatment system utilizing forward osmosis. The bags have been modified to have an inner membrane liner that allows them to purify wastewater. They may also provide a structural water-wall element that can be used to provide radiation protection and as a structural divider. Integration of the components into vehicle/habitat architecture and consideration of operations concepts and human factors will be discussed. In the future these bags could be designed to treat wastewater, concentrated brines, and solid wastes, and to dewater solid wastes and produce a bio-stabilized construction element. This paper will describe the follow-on work done in design, fabrication and demonstrations of various L2L concepts, including advanced CTBs for reuse/repurposing, internal outfitting studies and the CTB-based forward osmosis water wall.

Shull, Sarah A.↗
DOE OSTI2025

SaltStone Wastewater Cement Study Using Isothermal Calorimetry, Standard Concrete Characterization Techniques, and CemGEMS - 25169

Cementitious reagents are used to solidify/stabilize aqueous radioactive, hazardous, and mixed salt solutions, and sludges to meet low-level radioactive waste (LLW) and Resource Conservation and Recovery Act (RCRA) requirements for disposal at Department of Energy (DOE). It is flexible enough to solidify radioactive wastewater saturated in complex species that include but are not limited to radioactive isotopes from the bombardment of neutrons in reactor operation, corrosion products from metallic components, and a variety of soluble organic compounds. [1,2]. Waste form testing typically includes processing or fresh properties, cured properties, compressive strength and hydraulic properties, porosity, density, saturated and unsaturated moisture transport, and leachability of contaminants in the waste form pore solution. Properties are collected over a relatively limited time, typically 28 to 365 days [3]. In addition, changes in the waste form as the result of time and changing conditions are important for concrete engineers to predict overall performance of the forms and potential release of contaminants in the disposal process via unintended filtration into the environment [4]. These predictions are determined/calculated characterizing young waste forms (relative to the standard age of concrete) and are based on transport through soluble ions in pore solutions. Characterization methods include X-ray, SEM, and isothermal calorimetry among other methods used to define the composition, amorphous vs. crystalline nature of the components, and the energetic formation mechanisms for multi-phase mineral systems. [5–7] Isothermal calorimetry is a well standardized technique for cements and concretes and can be used to predict the timing and nature of the hydration reactions.[8] The technique can measure long term energetic

Bustamante, Michael E. [Savannah River National La↗
DOE OSTI2026

Multi-material additive manufacturing of aluminum 6061-T6 alloy with stainless steel 304: Suppression of intermetallic compounds and interface growth mechanism

Fabricating integrated aluminum-steel structures is difficult because of metallurgical incompatibilities that promote intermetallic compound (IMC) formation at their interfaces. This work introduces a practical route for additively manufacturing 6061-T6 aluminum alloy (AA6061-T6) directly onto 304 stainless steel (SS304) using a high shear strain rate-assisted interfacial bonding mechanism. Through the friction extrusion deposition-based additive manufacturing method, both single- and multi-layer deposits of AA6061-T6 were successfully fabricated on SS304, yielding a robust hybrid multi-material structure. Comprehensive analyses of deposition quality, interface porosity, and bonding performance showed that the interface achieved a tensile strength exceeding 154 MPa under quasi-static loading. Microstructural observations revealed that the deposited aluminum layers experienced severe plastic deformation, resulting in pronounced grain refinement. Importantly, the interfacial zone was found to be free of brittle IMCs, instead containing a thin amorphous layer that evolved through a non-linear reaction-zone growth law. This solid-state additive strategy establishes a promising pathway for lightweight structural systems, nuclear energy component cladding, and multifunctional engineering components, redefining how dissimilar metals can be integrated for advanced applications.

Aluminum alloy↗
NASA NTRS2009

Modeling Unsteady Cavitation and Dynamic Loads in Turbopumps

A computational fluid dynamics (CFD) model that includes representations of effects of unsteady cavitation and associated dynamic loads has been developed to increase the accuracy of simulations of the performances of turbopumps. Although the model was originally intended to serve as a means of analyzing preliminary designs of turbopumps that supply cryogenic propellant liquids to rocket engines, the model could also be applied to turbopumping of other liquids: this can be considered to have been already demonstrated, in that the validation of the model was performed by comparing results of simulations performed by use of the model with results of sub-scale experiments in water. The need for this or a similar model arises as follows: Cavitation instabilities in a turbopump are generated as inlet pressure drops and vapor cavities grow on inducer blades, eventually becoming unsteady. The unsteady vapor cavities lead to rotation cavitation, in which the cavities detach from the blades and become part of a fluid mass that rotates relative to the inducer, thereby generating a fluctuating load. Other instabilities (e.g., surge instabilities) can couple with cavitation instabilities, thereby compounding the deleterious effects of unsteadiness on other components of the fluid-handling system of which the turbopump is a part and thereby, further, adversely affecting the mechanical integrity and safety of the system. Therefore, an ability to predict cavitation- instability-induced dynamic pressure loads on the blades, the shaft, and other pump parts would be valuable in helping to quantify safe margins of inducer operation and in contributing to understanding of design compromises. Prior CFD models do not afford this ability. Heretofore, the primary parameter used in quantifying cavitation performance of a turbopump inducer has been the critical suction specific speed at which head breakdown occurs. This parameter is a mean quantity calculated on the basis of assumed steady-state operation of the inducer; it does not account for dynamic pressure loads associated with unsteady flow caused by instabilities. Because cavitation instabilities occur well before mean breakdown in inducers, engineers have, until now, found it necessary to use conservative factors of safety when analyzing the results of numerical simulations of flows in turbopumps.

Hosangadi, Ashvin↗
DOE OSTI2016

Engineering self-assembled bioreactors from protein microcompartments

The goals of this research are to understand how organisms such as bacteria segregate certain metabolic processes inside of specific structures, or “microcompartments,” in the cell and apply this knowledge to develop novel engineered microcompartments for use in nanotechnology and metabolic engineering. For example, in some bacteria, self-assembling protein microcompartments called carboxysomes encapsulate the enzymes involved in carbon fixation, enabling the cell to utilize carbon dioxide more effectively than if the enzymes were free in the cell. The proposed research will determine how structures such as carboxysomes assemble and function in bacteria and develop a means for creating novel, synthetic microcompartments for optimizing production of specific energy-rich compounds.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2001

Chemical Engineering in Space

The aerospace industry has long been perceived as the domain of both physicists and mechanical engineers. This perception has endured even though the primary method of providing the thrust necessary to launch a rocket into space is chemical in nature. The chemical engineering and chemistry personnel behind the systems that provide access to space have labored in the shadows of the physicists and mechanical engineers. As exploration into the cosmos moves farther away from Earth, there is a very distinct need for new chemical processes to help provide the means for advanced space exploration. The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit. As we move away from Earth, there are additional options for propulsion. Unfortunately, few of these options can compare to the speed or ease of use provided by the chemical propulsion agents. It is with great care and significant cost that gaseous compounds such as hydrogen and oxygen are liquefied and become dense enough to use for rocket fuel. These low-temperature liquids fall within a specialty area known as cryogenics. Cryogenics, the science and art of producing cold operating conditions for use on Earth, in orbit, or on some other nonterrestrial body, has become increasingly important to our ability to travel within our solar system. The production of cryogenic fuels and the long-term storage of these fluids are necessary for travel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a round-trip. The cost and the size of these expeditions are extreme at best. If we take everything necessary for our survival for the round-trip, we invalidate any chance of travel in the near future. As with the early explorers on Earth, we need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy sources is paramount to success. We are currently working on several processes to produce the propellants that would allow us to visit and explore the surface of Mars. The capabilities currently at our disposal for launching and delivering equipment to another planet or satellite dictate that the size and scale of any hardware must be extremely small. The miniaturization of the processes needed to prepare the in situ propellants and life support commodities is a real challenge. Chemical engineers are faced with the prospect of reproducing an entire production facility in miniature so the complex can be lifted into space and delivered to our destination. Another area that does not normally concern chemical engineers is the extreme physical aspects payloads are subjected to with the launch of a spacecraft. Extreme accelerations followed by the sudden loss of nearly all gravitational forces are well outside normal equipment design conditions. If the equipment cannot survive the overall trip, then it obviously will not be able to yield the needed products upon arrival. These launch constraints must be taken into account. Finally, we must consider both the effectiveness and efficiencies of the processes. A facility located on the Moon or Mars will not have an unlimited supply of power or other ancillary utilities. For a Mars expedition, the available electric power is severely limited. The design of both the processes and the equipment must be considered. With these constraints in mind, only the most efficient designs will be viable. Cryogenics, in situ resource utilization, miniaturization, launchability, and power/process efficiencies are only a few of the areas that chemical engineers provide support and expertise for the exploration of space.

Lobmeyer, Dennis A.↗
DOE OSTI2023

Engineering Supramolecular Hybrid Architectures with Directional Organofluorine Bonds

Understanding how chemical modifications alter the atomic‐scale organization of materials is of fundamental importance in materials engineering and the target of considerable efforts in computational prediction. Incorporating covalent and noncovalent interactions in designing crystals while “piggybacking” on the driving force of molecular self‐assembly has augmented efforts to understand the emergence of complex structures using directed synthesis. In this work, microcrystalline powders of the silver 2‐, 3‐, and 4‐fluorobenzenethiolates are prepared and their structures are resolved by small‐molecule serial femtosecond X‐ray crystallography. These three compounds enable the emergence and role of supramolecular synthons in the crystal structures of 3D metal‐organic chalcogenolates to be examined. The unique divergence in their optoelectronic, morphological, and structural behaviors is assessed. The extent of CHF interactions and their influence on the structure and the observed trends in the thermal stability of the crystals are quantified through theoretical calculations and thermogravimetric analysis.

Kotei, Patience A.↗