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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 271 records · Page 15

Predicting Char Yield of High-Temperature Resins

A simulation protocol is developed to predict the char yield of organic resins during high-temperature processing. Such in silico methods can help screen promising new formulations for advanced materials, but previously no chemistry-sensitive technique existed to predict the important experimental value of char yield. The method utilizes a reactive force field (ReaxFF) to model the chemical transformation of precursor monomers into carbonized structures during three processing stages: ramp-up to processing temperatures (~3000 K), pyrolysis, and quenching. Achieving good agreement with experimental char yields requires continuous removal of small byproduct molecules to mimic outgassing, and the application of high pressure to eliminate porosity and encourage graphitization. More than ten different resin chemistries are investigated, including arylacetylenes, cyanate esters, phthalonitriles, and polyimides, representing a diverse group of precursors with respect to initial cyclic content, heteroatoms and reactive groups. The protocol correctly predicts the relative char yield between the investigated chemistries and provides quantitative agreement with experimental values, especially for high char yield resins. The properties of the resins during processing are compared, including outgassing products, morphology of the final chemical configurations, cyclic content and mechanical properties.

polymer simulations, molecular dynamics↗

Predicting Char Yield of High-Temperature Resins

A simulation protocol is developed to predict the char yield of organic resins during high-temperature processing. Simulation protocol in silico methods can help screen promising new formulations for advanced materials, but previously no chemistry-sensitive technique existed to predict the important experimental value of char yield. The method utilizes a reactive force field (ReaxFF) to model the chemical transformation of precursor monomers into carbonized structures during three processing stages: ramp-up to processing temperatures (~3000 K), pyrolysis, and quenching. Achieving good agreement with experimental char yields requires continuous removal of small byproduct molecules to mimic outgassing, and the application of high pressure to eliminate porosity and encourage graphitization. More than ten different resin chemistries are investigated, including arylacetylenes, cyanate esters, phthalonitriles, and polyimides, representing a diverse group of precursors with respect to initial cyclic content, heteroatoms and reactive groups. The protocol correctly predicts the relative char yield between the investigated chemistries and provides quantitative agreement with experimental values, especially for high char yield resins. The properties of the resins during processing are compared, including outgassing products, morphology of the final chemical configurations, cyclic content and mechanical properties.

polymer simulations, molecular dynamics↗

A model for the acoustic impedance of linear suppressor materials bonded on perforated plate

An analytical model is developed for the acoustic impedance of a composite made of a fine screen bonded to a perforated plate, the resistance having been modeled using steady flow theory and data, and including both linear and nonlinear components. The model of the screen resistance alone is derived first, and it is then extended to include a perforated plate bonded to the screen. Quantities such as effective open ratio and pressure recovery are evaluated. Conclusions are presented, including: (1) when the screen is bonded to a perforated plate, the linear resistance increases as the inverse of the perforate open area, (2) the nonlinearity in the screen resistance depends on the square of the screen wire diameter, and (3) when the resistance is considered as a function of approach velocity, the screen nonlinear term increases as the inverse of the square of the perforated plate open area ratio. The general theory can be applied to any screen structure, but final results are limited to a twilled square weave screen. Results can be applied to the study of sound absorbing materials used for lining the walls of aircraft engine duct suppressors.

Rice, E. J.↗

Monel-shot and screen regenerators

Monel has been found to be ideal material for matrix of regenerators operating in temperature range of 325 K to 50 K. Two best shapes are as spheres or as wire mesh. For given size of regenerator, spherical shots are preferable for low-temperature operation. At high temperatures, mesh would be superior by virtue of its lower flow resistance.

Browning, C. W.↗

Validation testing of shallow notched round-bar screening test specimens

The capability of shallow-notched, round-bar, tensile specimens for screening critical environments as they affect the material fracture properties of the space shuttle main engine was tested and analyzed. Specimens containing a 0.050-inch-deep circumferential sharp notch were cyclically loaded in a 5000-psi hydrogen environment at temperatures of +70 and -15 F. Replication of test results and a marked change in cyclic life because of temperature variation demonstrated the validity of the specimen type to be utilized for screening tests.

Vroman, G. A.↗

Fluorescence Approaches to Growing Macromolecule Crystals

Trace fluorescent labeling, typically < 1%, can be a powerful aid in macromolecule crystallization. Precipitation concentrates a solute, and crystals are the most densely packed solid form. The more densely packed the fluorescing material, the more brightly the emission from it, and thus fluorescence intensity of a solid phase is a good indication of whether one has crystals or not. The more brightly fluorescing crystalline phase is easily distinguishable, even when embedded in an amorphous precipitate. This approach conveys several distinct advantages: one can see what the protein is doing in response to the imposed conditions, and distinguishing between amorphous and microcrystalline precipitated phases are considerably simpler. The higher fluorescence intensity of the crystalline phase led us to test if we could derive crystallization conditions from screen outcomes which had no obvious crystalline material, but simply "bright spots" in the precipitated phase. Preliminary results show that the presence of these bright spots, not observable under white light, is indeed a good indicator of potential crystallization conditions.

Pusey, Marc↗

Fabrication and Testing of CERMET Fuel Materials for Nuclear Thermal Propulsion

A first generation Nuclear Cryogenic Propulsion Stage (NCPS) based on Nuclear Thermal Propulsion (NTP) is currently being developed for Advanced Space Exploration Systems. The overall goal of the project is to address critical NTP technology challenges and programmatic issues to establish confidence in the affordability and viability of NTP systems. The current technology roadmap for NTP identifies the development of a robust fuel form as a critical near term need. The lack of a qualified nuclear fuel is a significant technical risk that will require a considerable fraction of program resources to mitigate. Due to these risks and the cost for qualification, the development and selection of a primary fuel must begin prior to Authority to Proceed (ATP) for a specific mission. The fuel development is a progressive approach to incrementally reduce risk, converge the fuel materials, and mature the design and fabrication process of the fuel element. A key objective of the current project is to advance the maturity of CERMET fuels. The work includes fuel processing development and characterization, fuel specimen hot hydrogen screening, and prototypic fuel element testing. Early fuel materials development is critical to help validate requirements and fuel performance. The purpose of this paper is to provide an overview and status of the work at Marshall Space Flight Center (MSFC).

Hickman, Robert↗

Static evaluation of surface coatings for compliant gas bearings in an oxidizing atmosphere to 650 C

Hard wear-resistant coatings and soft low shear strength coatings were developed for an air-lubricated compliant journal bearing for a future automotive gas turbine engine. The coatings were expected to function in either 540 or 650 C ambient. Soft lubricant coatings were generally limited in temperature. Therefore emphasis was on the hard wear-resistant coatings. The coating materials covered were TiC, B4C, Cr3C2, WC, SiC, CrB2, TiB2, Cr2O3, Al2O3, Si3N4, Tribaloy 800, CaF2, CaF2-BaF2 eutectic, Ni-Co, silver, CdO-graphite and proprietary compounds. The coatings on test coupons were subjected to static oven screening tests. The test consisted of exposure of material samples in an oven for 300 h at the maximum temperature (540 or 650 C) and ten temperature cycles from room temperature to the maximum service temperature. On the basis of the specimen examinations the following coatings were recommended for future wear tests: TiC (sputtered), Cr2O3 (sputtered), Si3N4 (sputtered), CdO and graphite (fused), Kaman DES (a proprietary coating), CrB2 (plasma sprayed), Cr3C2 (detonation gun) and NASA PS-106 (plasma sprayed).

Bhushan, B.↗

Post-Test Inspection of NASA's Evolutionary Xenon Thruster Long Duration Test Hardware: Ion Optics

A Long Duration Test (LDT) was initiated in June 2005 as a part of NASA's Evolutionary Xenon Thruster (NEXT) service life validation approach. Testing was voluntarily terminated in February 2014, with the thruster accumulating 51,184 hours of operation, processing 918 kg of xenon propellant, and delivering 35.5 MN-s of total impulse. The post-test inspection objectives for the ion optics were derived from the original NEXT LDT test objectives, such as service life model validation, and expanded to encompass other goals that included verification of in situ measurements, test issue root causes, and past design changes. The ion optics cold grid gap had decreased only by an average of 7% of pretest center grid gap, so efforts to stabilize NEXT grid gap were largely successful. The upstream screen grid surface exhibited a chamfered erosion pattern. Screen grid thicknesses were ≥ 86% of the estimated pretest thickness, indicating that the screen grid has substantial service life remaining. Deposition was found on the screen aperture walls and downstream surfaces that was primarily composed of grid material and back-sputtered carbon, and this deposition likely caused the minor decreases in screen grid ion transparency during the test. Groove depths had eroded through up to 35% of the accelerator grid thickness. Minimum accelerator aperture diameters increased only by about 5-7% of the pretest values and downstream surface diameters increased by about 24-33% of the pretest diameters. These results suggest that increasing the accelerator aperture diameters, improving manufacturing tolerances, and masking down the perforated diameter to 36 cm were successful in reducing the degree of accelerator aperture erosion at larger radii.

Ion Thruster↗

Post-test Inspection of NASA’s Evolutionary Xenon Thruster Long Duration Test Hardware: Ion Optics

A Long Duration Test (LDT) was initiated in June 2005 as a part of NASA’s Evolutionary Xenon Thruster (NEXT) service life validation approach. Testing was voluntarily terminated in February 2014, with the thruster accumulating 51,184 hours of operation, processing 918 kg of xenon propellant, and delivering 35.5 MN-s of total impulse. The post-test inspection objectives for the ion optics were derived from the original NEXT LDT test objectives, such as service life model validation, and expanded to encompass other goals that included verification of in situ measurements, test issue root causes, and past design changes. The ion optics cold grid gap had decreased only by an average of 7% of pretest center grid gap, so efforts to stabilize NEXT grid gap were largely successful. The upstream screen grid surface exhibited a chamfered erosion pattern. Screen grid thicknesses were ≥ 86% of the estimated pretest thickness, indicating that the screen grid has substantial service life remaining. Deposition was found on the screen aperture walls and downstream surfaces that was primarily composed of grid material and back-sputtered carbon, and this deposition likely caused the minor decreases in screen grid ion transparency during the test. Groove depths had eroded through up to 35% of the accelerator grid thickness. Minimum accelerator aperture diameters increased only by about 5-7% of the pretest values and downstream surface diameters increased by about 24-33% of the pretest diameters. These results suggest that increasing the accelerator aperture diameters, improving manufacturing tolerances, and masking down the perforated diameter to 36 cm were successful in reducing the degree of accelerator aperture erosion at larger radii.

George C. Soulas↗

Stress Corrosion Cracking of Metals in Propellants

Stress corrosion cracking (SCC) of a fracture critical metallic material can cause a premature failure if the material is susceptible in the unique service environment. Material fluid compatibility is an area of interest for the current NASA programs leading the human exploration path to Mars. White Sands Test Facility, the agency's lead on hypergolic propellant testing, identifies a lack in stress corrosion cracking susceptibility data for metallic materials in hypergolic propellants. The development of a stress corrosion cracking screening method is necessary to bridge the knowledge gap and enable the community to more confidently select materials for the use in systems containing corrosive fluids.

Alcantara, Ilse↗

Hierarchical screening for Li-based solid electrolytes using fast, interpretable machine-learned potentials

Li-based solid-state electrolyte materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. The prohibitive cost of high-throughput screening with DFT has lead to the development of surrogate models using geometric analysis, empirical potentials, and descriptors for ionic transport. Here, I will discuss a hierarchical screening approach for identifying promising materials using a combination of density functional theory, bond-valence methods, and machine learning potentials generated with the Ultra-Fast Force Fields (UF3) framework. We show how the inexpensive bond-valence method can be used to guide the generation of training samples for machine learning, in addition to filtering candidates. Finally, we apply the hierarchical workflow to screen for ionic conductivity across a database of Li-containing compounds.

Materials discovery↗

The parameters of a VCM test for the selection of space materials

Materials for space applications must have low outgassing rates at normal operating temperatures and the outgassing products should include a minimum of condensables at the temperatures of nearby surfaces. A screening method, developed years ago, consists of holding a material sample at 398 K (125 C) for 24 hours and measuring its percentage total mass loss (TML) and the percentage volatile condensable mass (VCM) accreted on a 298 K (25 C) collector. In general, the material is acceptable if the TML is less than 1 percent and the VCM is less than 0.1 percent. This paper presents an analysis of the test and its results. It shows that the results of TML and VCM can be used to provide data on outgassing rates and to derive an 'equivalent activation energy' for the material. The energy variables are needed for the calculation of pressure in compartments, the molecular contamination of critical surfaces, and other problems in molecular flow and surface physics. The analysis points out the criticality of the test and its limits with regards to the detection of condensables from certain materials.

Scialdone, J. J.↗

Non-aqueous cleaning solvent substitution

A variety of environmental, safety, and health concerns exist over use of chlorinated and fluorinated cleaning solvents. Sandia National Laboratories, Lawrence Livermore National Laboratories, and the Kansas City Division of AlliedSignal have combined efforts to focus on finding alternative cleaning solvents and processes which are effective, environmentally safe, and compliant with local, state, and federal regulations. An alternative solvent has been identified, qualified, and implemented into production of complex electronic assemblies, where aqueous and semi-aqueous cleaning processes are not allowed. Extensive compatibility studies were performed with components, piece-parts, and materials. Electrical testing and accelerated aging were used to screen for detrimental, long-term effects. A terpene, d-limonene, was selected as the solvent of choice, and it was found to be compatible with the components and materials tested. A brief history of the overall project will be presented, along with representative cleaning efficiency results, compatibility results, and residual solvent data. The electronics industry is constantly searching for proven methods and environmentally-safe materials to use in manufacturing processes. The information in this presentation will provide another option to consider on future projects for applications requiring high levels of quality, reliability, and cleanliness from non-aqueous cleaning processes.

Meier, Gerald J.↗

Theoretical studies on the relationship between the thermionic work functions of refractory-metal intermetallic compounds and their electronic and crystal structures Final summary report

The Group VIA-Re binary systems are characterized by the presence of several intermediate phases. The u phase is present in all of the systems, but the a-Mn phases occur in only the Mo-Re and W-Re systems. The occurrence of these intermediate phases appears to be governed largely by electronic factors and is predictable on the basis of electron/atom ratio. The thermionic work functions of the intermediate phase materials were experimentally determined. function and the screening of the outermost electrons in the Group VIA metals was found. A correlation between the work As might be expected for purely metallic substances, the work functions were relatively high, in the range 4. 5 to 5. 0 eV, and in each case were bracketed by the work functions of the pure constituents. A discontinuous change in the average work function with composition is proposed, based on a thermodynamical treatment of the electron vapor.

REFRACTORY METAL↗

Fabrication and test of inorganic/organic separators

Completion of testing and failure analysis of MDC 40 Ahr silver zinc cells containing largely inorganic separators was accomplished. The results showed that the wet stand and cycle life objectives of the silver zinc cell development program were accomplished. Building, testing and failure analysis of two plate cells employing three optimum separators selected on the basis of extensive screening tests, was performed. The best separator material as a result of these tests was doped calcium zirconate.

Smatko, J. S.↗

High efficiency thermionic converter studies

The objective is to improve thermionic converter performance by means of reduced interelectrode losses, greater emitter capabilities, and lower collector work functions until the converter performance level is suitable for out-of-core space reactors and radioisotope generators. Electrode screening experiments have identified several promising collector materials. Back emission work function measurements of a ZnO collector in a thermionic diode have given values less than 1.3 eV. Diode tests were conducted over the range of temperatures of interest for space power applications. Enhanced mode converter experiments have included triodes operated in both the surface ionization and plasmatron modes. Pulsed triodes were studied as a function of pulse length, pulse potential, inert gas fill pressure, cesium pressure, spacing, emitter temperature and collector temperature. Current amplifications (i.e., mean output current/mean grid current) of several hundred were observed up to output current densities of one amp/sq cm. These data correspond to an equivalent arc drop less than 0.1 eV.

Huffman, F. N.↗

Materials and manufacturing processes for increased life/reliability

Improvements in both quality and durability of disk raw material for both military and commercial engines necessitated an entirely new concept in raw material process control which imposes careful selection, screening and sampling of the basic alloy ingredients, followed by careful monitoring of the melting parameters in all phases of the vacuum melting sequence. Special care is taken to preclude solidification conditions that produce adverse levels of segregation. Melt furnaces are routinely cleaned and inspected for contamination. Ingots are also cleaned and inspected before entering the final melt step.

Duttweiler, R. E.↗