SEARCH · Search NASA
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Indexes and summaries of the conference papers containing cesium-diode results are presented. Lists of converter materials, geometries, conditions, outputs, and lifetimes accompany the references. Simple chemical designations for emitters, collectors, and additives direct the reader to appropriate selections.
The effects of long-term (up to 10 years) contact of inert materials with earth-storable propellants were studied for the purpose of designing chemical propulsion system components that can be used for current as well as future planetary spacecraft. The primary experimental work, and results to date are reported. Investigations include the following propellants: hydrazine, hydrazine-hydrazine nitrate blends, monomethyl-hydrazine, and nitrogen tetroxide. Materials include: aluminum alloys, corrosion-resistant steels, and titanium alloys. More than 700 test specimen capsules were placed in long-term storage testing at 43 C in the special material compatibility facility. Material ratings relative to the 10-year requirement have been assigned.
Analyses and results are reported of a test program to establish the effects of long-term (10 years or more) contact of materials with nitrogen textroxide MON-1 for the purpose of designing chemical propulsion system components which can be used for current as well as future planetary spacecraft. The test materials included aluminum alloy, corrosion-resistant steel, titanium alloy, and nickel. The weight and appearance of each specimen were observed, including the presence of deposits, etching, pitting, and cracking. Aluminum alloy and steel were rated satisfactory with minor reservations, titanium alloy was satisfactory, and nickel was unsatisfactory. Criteria for ratings are shown.
The analyses and results of a test program to establish the effects of long term (10 years or more) contact of materials with earth-storable propellants for the purpose of designing chemical propulsion system components which are used for current as well as future planetary spacecraft are described. The period from the publication of JPL TM 33-779 IN 1976 through the testing accomplished in 1981 is covered. The following propellants are reported herein: hydrazine, monomethylhydrazine and nitrogen tetroxide. Materials included the following: aluminum alloys, corrosion resistant steels and a titanium alloy. The results of the testing of more than 80 specimens are included. Material ratings relative to the ten year milepost were assigned. Some evidence of propellant decomposition was found. Titanium is rated as acceptable for ten year applications. Aluminum and stainless steel alloys are also rated as acceptable with few restrictions.
A test program to establish the effects of long term contact of materials with hydrazine for the purpose of designing chemical propulsion system components which can be used for current as well as future planetary spacecraft was analyzed. Materials included the following: aluminum alloys, corrosion resistant steels, and a titanium alloy. Material ratings relative to the 10 year milepost are assigned. The propellant was found to be stable. With minor exceptions, the materials tested were rated acceptable for a 10 year mission.
A long term testing program is being conducted to determine the effects of materials in contact with a hydrazine nitrate blend for the purpose of designing chemical propulsion systems which can be used for current as well as future planetary spacecraft. Analysis of this data indicates that some aluminum alloys are acceptable for use with the particular blend of fuel used. Titanium alloy was identified as being acceptable for 10-year applications. Corrosion resistant steels, however, were found to have excessive corrosion rates and are therefore considered unacceptable for long-term use. There is also some evidence that the propellant decomposed at a rate far in excess of the acceptable rate of 0.1 percent per year when in contact with stainless steel.
Results from research on catalytic recombination of CO-O2 for stable closed-cycle operation of CO2 lasers hold much promise for a variety of technology transfer. Expansion of CO2 laser remote sensing applications toward chemical detection and pollution monitoring would certainly be expected. However, the catalysts themselves may be especially effective in low-temperature oxidation of a number of chemicals in addition to CO. It is therefore of interest to compare the CO-O2 catalysts with chemical systems designed for chemical sensing, air purification and process catalysis. Success in understanding the catalytic mechanisms of the recombination of CO-O2 could help to shed light on how catalyst systems operate. New directions in low-temperature oxidation catalysts, coatings for chemical sensors and sorbents for air purification could well emerge.
Modeling techniques in chemical reactor design for energy conversion
This study introduces an advanced automated system for designing diverse chemical or electrochemical systems, requiring minimal user expertise, and enabling designing and optimization from scratch.
Host-guest (HG) interactions have been widely used to build responsive materials and molecular machines owing to their inherently dynamic nature, interaction specificity, and responsiveness to diverse stimuli. Here, in this work, we have set out to exploit these advantages of HG chemistry in the design of dynamic protein assemblies, using a C 4 symmetric protein, C98 RhuA, as a building block. We show that a C98 RhuA variant individually modified with β-cyclodextrin (βCD) (host) or azobenzene (guest) functionalities can specifically pair with each other to form highly ordered 1D and 2D assemblies. Association and dissociation of βCD RhuA- azo RhuA assemblies can be controlled by UV and visible light as well as by small-molecule modulators of βCD-azobenzene interactions. Kinetics analyses reveal that βCD RhuA- azo RhuA nanotubes assemble without a nucleation barrier, a highly unusual occurrence for helical supramolecular systems. Taken together, our findings provide a compelling example for achieving complex structural and dynamic outcomes in protein assembly through simple chemical design.
The main project object was to develop software tools for simulating non-equilibrium autothermal processes, improving the prospects for identifying and designing such systems. The project demonstrates the use of these tools to simulate autothermal pyrolysis, a process recently developed at the pilot-plant scale at Iowa State University. In such process, instead of externally heating a reactor to pro-vide the enthalpy of pyrolysis, sufficient oxygen in the form of air is introduced into the reactor to support partial oxidation of reactants and products with the exothermic energy released supporting endothermic pyrolysis reactions. A fluidized bed is used to assure good mixing of biomass and oxidant and provide an isothermal reaction environment. The amount of oxygen required depends upon the kind of biomass being pyrolyzed and parasitic heat losses from the reactor. For example, for woody biomass pyrolyzed under conditions that simulate adiabatic operation, equivalence ratios can be as low as 0.06, compared to 0.20 or higher for autothermal gasifiers. By removing the heat transfer bottleneck of conventional pyrolysis, operation in autothermal mode allowed a significant increase in reactor throughput process, approaching five times the throughput of the conventionally operated pyrolyzer. Different simulation strategies were considered and developed: a zero-dimensional chemistry model was used to verify the applicability of kinetic schemes to predict biomass fast pyrolysis in autothermal conditions. Conventional chemical reactor models such as the plug flow reactor and the partially stirred reactor were used to investigate the role of mixing in the fluidized bed pyrolyzer and to establish the impact of mixing time on the gas-phase reactions. A comprehensive multiphase computational fluid dynamics (mCFD) framework, including polydisperse granular phase modeling and detailed chemical kinetics was formulated and used to model the experimental setup for autothermal biomass fast pyrolysis at ISU. Multiphase CFD was also used to investigate the role of biomass feed positioning on the mixing of biomass in the pyrolizer. Finally, a reduced order model (ROM), suitable to be implemented in process simulators was obtained. Both the mCFD and the ROM were validated against experiments.
A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials database. Here, we propose a generative machine learning model (MatGAN) based on a generative adversarial network (GAN) for efficient generation of new hypothetical inorganic materials. Trained with materials from the ICSD database, our GAN model can generate hypothetical materials not existing in the training dataset, reaching a novelty of 92.53% when generating 2 million samples. The percentage of chemically valid (charge-neutral and electronegativity-balanced) samples out of all generated ones reaches 84.5% when generated by our GAN trained with such samples screened from ICSD, even though no such chemical rules are explicitly enforced in our GAN model, indicating its capability to learn implicit chemical composition rules to form compounds. Our algorithm is expected to be used to greatly expand the range of the design space for inverse design and large-scale computational screening of inorganic materials.
ABO 3 -type perovskite relaxor ferroelectrics (RFEs) have emerged as the preferred option for dielectric capacitive energy storage. However, the compositional design of RFEs with high energy density and efficiency poses significant challenges owing to the vast compositional space and the absence of general rules. Here, we present an atomic-level chemical framework that captures inherent characteristics in terms of radius and ferroelectric activity of ions. By categorizing A/B-site ions as host framework, rattling, ferroelectrically active, and blocking ions and assembling these four types of ions with specific criteria, linear-like relaxors with weak locally correlated and highly extendable unit-cell polarization vectors can be constructed. As example, we demonstrate two new compositions of Bi 0.5 K 0.5 TiO 3- based and BaTiO 3- based relaxors, showing extremely high recoverable energy densities of 17.3 and 12.1 J cm –3 , respectively, both with a high efficiency of about 90%. Further, the role of different types of ions in forming heterogeneous polar structures is identified through element-specific local structure analysis using neutron total scattering combined with reverse Monte Carlo modeling. Further, our work not only opens up new avenues toward rational compositional design of high energy storage performance lead-free RFEs but also sheds light on atomic-level manipulation of functional properties in compositionally complex ferroelectrics.
Design, propellant selection, and launch assistance for advanced chemical propulsion system is discussed. Topics discussed include: rocket design, advance fuel and high energy density materials, launch assist, and criteria for fuel selection.
Chemical bath deposition is widely used to deposit SnO x as an electron transport layer in perovskite solar cells (PSCs). The conventional recipe uses thioglycolic acid (TGA) to facilitate attachments of SnO x particles onto the substrate. However, nonvolatile TGA has been reported to harm the operational stability of PSCs. In this work, we introduced a volatile oxalic acid (OA) as an alternative to TGA. OA, a dicarboxylic acid, functions as a chemical linker for the nucleation and attachment of particles to the substrate in the chemical bath. Moreover, OA can be readily removed through thermal annealing followed by a mild H 2 O 2 treatment, as shown by FTIR measurements. Synergistically, the mild H 2 O 2 treatment selectively oxidizes the surface of the SnOx layer, minimizing nonradiative interface carrier recombination. EELS (electron-energy-loss-spectroscopy) confirms that the SnO x surface is dominated by Sn 4+ , while the bulk is a mixture of Sn 2+ and Sn 4+ . This rational design of a CBD SnO x layer leads to devices with T85~1,500h, a significant improvement over the TGA-based device with T80~250h. Our champion device reached a power conversion efficiency of 24.6%. This work offers a rationale for optimizing the complex parameter space of CBD SnO x to achieve efficient and stable PSCs.
To provide the transportation of lunar base elements to the moon, large high-energy propulsion systems will be required. Advanced propulsion systems for lunar missions can provide significant launch mass reductions and payload increases. These mass reductions and added payload masses can be translated into significant launch cost savings for the lunar base missions. The masses in low Earth orbit (LEO) were compared for several propulsion systems: nitrogen tetroxide/monomethyl hydrazine (NTO/MMH), oxygen/methane (O2/CH4), oxygen/hydrogen (O2/H2), and metallized O2/H2/Al propellants. Also, the payload mass increases enabled with O2/H2 and O2/H2/Al systems were addressed. In addition, many system design issues involving the engine thrust levels, engine commonality between the transfer vehicle and the excursion vehicle, and the number of launches to place the lunar mission vehicles into LEO will be discussed. Analyses of small lunar missions launched from a single STS-C flight are also presented.
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is demonstrated in the recent identification of several superconducting hydrides with T c s approaching room temperature. We start with an overview of the computational procedures for predicting stable structures and estimating their propensity for superconductivity. A survey of phases with high T c reveals some common structural features that appear conducive to the strong coupling of the electronic structure with atomic vibrations that leads to superconductivity. We discuss the stability and superconducting properties of phases containing two of these—molecular H 2 units mixed with atomic H and hydrogenic clathrate-like cages—as well as more unique motifs. Lastly, we argue that ternary hydride phases, whose exploration is still in its infancy, are a promising route to achieve simultaneous superconductivity at high temperatures and stability at low pressures. Several ternary hydrides arise from the addition of a third element to a known binary hydride structure through site mixing or onto a new site, and several more are based on altogether new structural motifs.
In this paper, the masses in low earth orbit (LEO) were compared for several propulsion systems: nitrogen tetroxide/monomethyl hydrazine, oxygen/methane, oxygen/hydrogen, and metallized O2/H2/Al propellants. Also, the payload mass increases enabled with these systems were addressed. In addition, many system design issues involving the engine thrust levels, engine commonality between the transfer vehicle and the excursion vehicle, and the number of launches to place the lunar mission vehicles into LEO are discussed. Analyses of small lunar missions launched from a single STS-C flight are also presented.