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At least 217 records · Page 12

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the posterior variance of the MFGP, our framework naturally enables uncertainty quantification, providing estimates of confidence in the predictions. We used density functional theory as high-fidelity prediction, while a ML interatomic potential is used as low-fidelity prediction. Practical materials’ design efficiency is demonstrated by reproducing the ternary composition dependence of a quantity of interest (bulk modulus) across the full aluminum–niobium–titanium ternary random alloy composition space. The MFGP is then coupled to a Bayesian optimization procedure, and the computational efficiency of this approach is demonstrated by performing an on-the-fly search for the global optimum of bulk modulus in the ternary composition space. The framework presented in this manuscript is the first application of MFGP to atomistic materials simulations fusing predictions between density functional theory and classical interatomic potential calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Materials and Fabrication Techniques for the Orion Attitude Control Motor

Rhenium, with its high melting temperature, excellent elevated temperature properties, and lack of a ductile-to-brittle transition temperature (DBTT), is ideally suited for the hot gas components of the ACM (Attitude Control Motor), and other high-temperature applications. However, the high cost of rhenium makes fabricating these components using conventional fabrication techniques prohibitive. Therefore, near-net-shape forming techniques were investigated for producing cost-effective rhenium and rhenium alloy components for the ACM and other propulsion applications. During this investigation, electrochemical forming (EL-Form ) techniques were evaluated for producing the hot gas components. The investigation focused on demonstrating that EL-Form processing techniques could be used to produce the ACM flow distributor. Once the EL-Form processing techniques were established, a representative rhenium flow distributor was fabricated, and samples were harvested for material properties testing at both room and elevated temperatures. As a lower cost and lighter weight alternative to an all-rhenium component, rhenium- coated graphite and carbon-carbon were also evaluated. The rhenium-coated components were thermal-cycle tested to verify that they could withstand the expected thermal loads during service. High-temperature electroforming is based on electrochemical deposition of compact layers of metals onto a mandrel of the desired shape. Mandrels used for electro-deposition of near-net shaped parts are generally fabricated from high-density graphite. The graphite mandrel is easily machined and does not react with the molten electrolyte. For near-net shape components, the inner surface of the electroformed part replicates the polished graphite mandrel. During processing, the mandrel itself becomes the cathode, and scrap or refined refractory metal is the anode. Refractory metal atoms from the anode material are ionized in the molten electrolytic solution, and are deposited onto the cathodic mandrel by electrochemical reduction. Rotation of the mandrel ensures uniform distribution of refractory material. The EL-Form process allows for manufacturing in an inert atmosphere with deposition rates from 0.0004 to 0.002 in./h (10.2 to 50.8 m/h). Thicknesses typically range from microns to greater than 0.5 in. (13 mm). The refractory component produced is fabricated, dependably, to within one micron of the desired tolerances with no shrinkage or distortion as in other refractory metal manufacture techniques. The electroforming process has been used to produce solid, nonporous deposits of rhenium, iridium, niobium, tungsten, and their alloys.

Gorti, Sridhar↗

VPS GRCop-84 Liner Development Efforts

For the past several years, NASA's Marshall Space Flight Center (MSFC) has been working with Plasma Processes, Inc. (PPI) to fabricate combustion chamber liners using the Vacuum Plasma Spray (VPS) process. Multiple liners of a variety of shapes and sizes have been created. Each liner has been fabricated with GRCop-84 (a copper alloy with chromium and niobium) and a functional gradient coating (FGC) on the hot wall. While the VPS process offers versatility and a reduced fabrication schedule, the material system created with VPS allows the liners to operate at higher temperatures, with maximum blanch resistance and improved cycle life. A subscal unit (5K lbf thrust class) is being cycle tested in a LOX/Hydrogen thrust chamber assembly at MSFC. To date, over 75 hot-fire tests have been accumulated on this article. Tests include conditions normally detrimental to conventional materials, yet the VPS GRCop-84 liner has yet to show any signs of degradation. A larger chamber (15K lbf thrust class) has also been fabricated and is being prepared for hot-fire testing at MSFC near the end of 2003. Linear liners have been successfully created to further demonstrate the versatility of the process. Finally, scale up issues for the VPS process are being tackled with efforts to fabricate a full size, engine class liner. Specifically, a liner for the SSME's Main Combustion Chamber (MCC) has recently been attempted. The SSME size was chosen for convenience, since its design was readily available and its size was sufficient to tackle specific issues. Efforts to fabricate these large liners have already provided valuable lessons for using this process for engine programs. The material quality for these large units is being evaluated with destructive analysis and these results will be available by the end of 2003.

Elam, Sandra K.↗

Aerojet - AJ10-137 Apollo Service Module Engine

The general configuration of the SPS engine was 20,000 pounds of thrust, with a chamber pressure of 100 psi and specific impulse (Isp) of 314.5. The very large nozzle had an area ratio of 62.5:1 (exit area to throat area). The propellants were nitrogen tetroxide (also known as N2O4 and nitrous oxide) and A-50. A-50 was a hydrazine family fuel. Aerojet developed it for the Titan Missile Program when they went with Titan II, to store it in the launch silos. They wanted the highest performance they could get. N2H4 was just pure hydrazine, which doesn't take low temperature very well. In fact, it freezes about like water. We started adding unsymmetrical-dimethylhydrazine (UDMH) to the hydrazine until such time as it would meet the environmental specifications the Air Force needed for Titan II. It turned out it s roughly a fifty-fifty mix. We still had to be careful with that fuel because the two fluids didn't mix very well chemically. We had to spray the two fluids through some special nozzles to get them to emulsify with each other into a single fluid. If we ever got it too cold or froze it, the hydrazine separated back out. Then, if we tried to run the engine, things could go boom in the night. The inlet pressure was only 165 pounds per square inch absolute (psia), but we needed at least forty psi pressure drop across the injector just to get some kind of stable flow. It was a whole new game for some of us. We didn't have much supply pressure to work with. It had the aluminum injector to keep the weight down. That was a couple feet in diameter, and we didn't have a lot of propellant to cool it. In fact, we had to use both propellants to keep the injector cool. There were twenty-two ring channels in the injector. Specification required 750 seconds duration, or fifty engine restarts during a flight. There were several first flight things we accomplished with the engine. It was the first ablative thrust chamber of any size to fly. (See Slide 6, Appendix G) There were no liners in it. It was just straight ablative material. It took us a while to figure that out. It was a throat-gimbaled engine, and it was the first engine to fly with columbium (also known as niobium, used as an alloying element in steels and superalloys) in the nozzle.

Boyce, Clay↗

Challenges to Reliable Production Nitrogen Doping of Nb for SRF Accelerating Cavities

Over the last several years, alloying of the surface layer of niobium SRF cavities has been demonstrated to beneficially lower the superconducting RF surface resistance. Nitrogen, titanium, and oxygen have all been demonstrated as effective alloying agents, occupying interstitial sites in the niobium lattice within the RF penetration depth and even deeper, when allowed to thermally diffuse into the surface at appropriate temperatures. The use of nitrogen for this function has been often termed ’nitrogen doping’ and is being applied in the LCLS-II and LCLS-II HE projects. We report characterization studies of the distribution of nitrogen into the exposed niobium surface and how such distribution is affected by the quality of the vacuum furnace environment in which the doping takes place, and the complexity of nitride crystal growth on different grain orientations of surface niobium. Using state-of-the-art quantification methods by dynamic secondary ion mass spectrometry (SIMS) depth profiling in niobium, we identify several phenomena involving furnace-sourced contamination. We also highlight a potential issue with N₂ flow constraints from the flange ’caps’ used during heat treatments.

Reece, Charles↗

Lightweight Chambers for Thrust Cell Applications

Traditional metals like steel and copper alloys have been used for many years to fabricate injector and chamber components of thruster assemblies. While the materials perform well, reducing engine weights would help existing and future vehicles gain performance and payload capability. It may now be possible to reduce current thruster weights up to 50% by applying composite materials. In this task, these materials are being applied to an existing thrust cell design to demonstrate new fabrication processes and potential weight savings. Two ceramic matrix composite (CMC) designs, three polymer matrix composite (PMC) designs, and two metal matrix composite (MMC) designs are being fabricated as small chamber demonstration units. In addition, a new alloy of copper, chrome, and niobium (Cu-8Cr-4Nb) is being investigated for thrust chamber liners since it offers higher strength and increased cycle life over traditional alloys. This new alloy is being used for the liner in each MMC and PMC demonstration unit. During June-August of 2000, hot-fire testing of each unit is planned to validate designs in an oxygen/hydrogen environment at chamber pressures around 850 psi. Although the weight savings using CMC materials is expected to be high, they have proven to be much harder to incorporate into chamber designs based on current fabrication efforts. However, the PMC & MMC concepts using the Cu-8Cr-4Nb liner are nearly complete and ready for testing. Additional efforts intend to use the PMC & MMC materials to fabricate a full size thrust chamber (60K lb(sub f) thrust class). The fabrication of this full size unit is expected to be complete by October 2000, followed by hot-fire testing in November-December 2000.

Elam, S.↗

Phase transitions in the ordered compound TiAl and in alloys having it as a base

The combined effect of alloying and heat treatment on the order-disorder transition in TiAl of stoichiometric composition was investigated. It is concluded from the data obtained that the TiAl 1 to TiAl 2 transition is a phase transition of the second kind. A phase transition was observed in TiAl of equiatomic composition in the 450-550 C temperature range. The introduction of niobium into the ordered compound TiAl of stoichiometric composition, instead of titanium or aluminum atoms, leads to partial softening. In this case, the effect of niobium atoms on softening of the alloys was greater when the niobium was introduced in place of aluminum atoms.

Zelenkov, I. A.↗

The Effects of Silicon and Niobium Concentration on the Solidification Behavior and Microstructure of Cast Monel Alloys

Cast Monel alloys are used in applications requiring a combination of good mechanical properties and excellent resistance to corrosion. Despite prevalent industrial use, relatively few studies have been conducted to investigate the relationships between composition, solidification behavior, and microstructure. Given that these alloys are used in the cast and welded conditions, these factors have a significant influence over the material properties. Here, in this work, microstructural characterization, electron probe microanalysis, X-ray diffraction, and differential scanning calorimetry were used to study how changes in Si and Nb concentrations affected the solidification path and microstructure of Monel alloys. It was found that increasing Nb concentration stabilized higher amounts of MC carbides and suppressed graphite formation during solidification. It was also found that the high nominal concentration and segregation of Si to the liquid led to the formation of Ni 31 Si 12 and other silicides via terminal eutectic reactions at the end of solidification. A pseudo-binary solidification diagram was constructed using experimental data and was applied to predict the mass fraction of solidified eutectic as a function of composition. The modeled microstructures were found to be in good agreement with experimentally measured phase fractions.

36 MATERIALS SCIENCE↗

Designing Nuclear Fuels with a Multi-Principal Element Alloying Approach

Previous research has shown that multi-principal element alloys (MPEAs) using chromium, molybdenum, niobium, tantalum, titanium, vanadium, and zirconium can form stable body-centered-cubic (BCC) structures across a large temperature region (25°C to 1000°C). This is the same crystal structure as γ-uranium (U), which has shown desirable thermal and irradiation behavior in previous alloy fuel research. It is hypothesized then that the MPEA alloying approach can be used to produce a stable BCC uranium-bearing alloy and to retain its stability throughout anticipated operating regimes of power-producing reactors. Candidate elements were assessed using Monte Carlo N-Particle (MCNP) analysis to determine uranium densities necessary to make the alloy an economically viable fuel compared to conventional fuel forms. Following neutronic considerations, materials property databases and empirical predictors were used to determine the compositions with a high potential to form a BCC solid solution alloy. The final four alloys were MoNbTaU 2 , MoNbTiU 2 , NbTaTiU 2 , and NbTaVU 2 , which were cast using arc melting of raw elemental foils and chunks. Characterization of the fabricated alloys included scanning electron microscopy, X-ray diffraction, energy dispersive X-ray spectroscopy, and transmission electron microscopy. The results showed a two-phase system with a U-rich matrix phase surrounding the refractory precipitates. The U phase was found to contain varying concentrations of the alloying elements and was a BCC γ-U phase. These results warrant further research to identify ideal compositions for use as an advanced alloy fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Investigation of Additive Manufactured GRCop-42 Alloy Developed by Directed Energy Deposition Methods

GRCop is an alloy family constructed of copper, chromium, and niobium and was developed by NASA for high heat flux applications. GRCop-alloys were specifically formulated for the requirements in channel-cooled main combustion chambers allowing for repeat use in high heat flux environments[1]. GRCop-84 was evolved using additive manufacturing techniques under a NASA development program. To further increase thermal conductivity while maintaining material strength characteristics, the percentage of alloying elements were cut in half and GRCop-42 was developed. In recent years, NASA has successfully additively manufactured GRCop-42 with comparable material characteristics to extrudedGRCop-42 using a Laser Powder Bed Fusion (L-PBF) process. Benefits of this process include fabrication of intricate internal cooling channels as well as a decrease in manufacturing time. However, there are some large disadvantages in using this process. The nature of the powder bed process imposes a strict volume constraint as well as an excessive amount of material inventory required. A Directed Energy Deposition (DED) process addresses these limitations while also speeding up the manufacturing process. With little data on how DED performs with GRCop-42, an investigation into the mechanical properties was conducted. More specifically, Blown Powder Directed Energy Deposition (BPD), was used to compare material properties to that of the L-PBF manufactured GRCop-42. The DED manufactured material was found to have less than 0.1% porosity. Tensile tests concluded that the DED manufactured GRCop-42 had lower tensile strengths at room temperature. The results point towards a process capable of producing fully dense parts capable of meeting mechanical strength requirements with some possible refinement of printing parameters.

GRCop-42↗

Application of the solid lubricant molybdenum disulfide by sputtering

Molybdenum disulfide lubricant film is deposited on two substrates, niobium and nickel-chromium alloys, by means of physical direct-current sputtering. The sputtering system uses a three-electrode /triode/ geometry - a thermionic cathode, an anode, and the target, all enclosed in a vacuum chamber.

Przybyszewski, J.↗

Development Study of Cartridge/Crucible Tube Materials

The limitations of traditional alloys and the desire for improved performance for components is driving the increased utilization of refractory metals in tile space industry. From advanced propulsion systems to high temperature furnace components for microgravity processing, refractory metals are being used for their high melting temperatures and inherent chemical stability. Techniques have been developed to produce near net shape refractory metal components utilizing vacuum plasma spraying. Material utilization is very high, and laborious machining can be avoided. As-spray formed components have been tested and found to perform adequately. However, increased mechanical and thermal properties are needed. To improve these properties, post processing thermal treatments such as hydrogen sintering and vacuum annealing have been performed. Components formed from alloys of tungsten, rhenium, tantalum, niobium, and molybdenum are discussed and a metallurgical analyses detailing the results are presented. A qualitative comparison of mechanical properties is also included.

McKechnie, Timothy N.↗

Vacuum Plasma Spray (VPS) Material Applications for Thruster Components

A variety of vacuum plasma spray (VPS) material systems have been successfully applied to injector and thrust chamber components. VPS offers a versatile fabrication process with relatively low costs to produce near net shape parts. The materials available with VPS increase operating margins and improve component life by providing superior thermal and oxidation protection in specific engine environments. Functional gradient materials (FGM) formed with VPS allow thrust chamber liners to be fabricated with GRCop-84 (an alloy of copper, chrome, and niobium) and a protective layer of NiCrAlY on the hot wall. A variety of thrust chamber liner designs have been fabricated to demonstrate the versatility of the process. Hot-fire test results have confirmed the improved durability and high temperature performance of the material systems for thrust chamber liners. Similar FGM s have been applied to provide superior thermal protection on injector faceplates with NiCrAlY and zirconia coatings. The durability of the applied materials has been demonstrated with hot-fire cycle testing on injector faceplates in high temperature environments. The material systems can benefit the components used in booster and main engine propulsion systems. More recent VPS efforts are focused on producing rhenium based material systems for high temperature applications to benefit in-space engines like reaction control system (RCS) thrusters.

Elam, Sandra↗

Vacuum Plasma Spray (VPS) Material Applications for Thruster Components

A variety of vacuum plasma spray (VPS) material systems have been successfully applied to injector and thrust chamber components. VPS offers a versatile fabrication process with relatively low costs to produce near net shape parts. The materials available with VPS increase operating margins and improve component life by providing superior thermal and oxidation protection in specific engine environments. Functional gradient materials (FGM) formed with VPS allow thrust chamber liners to be fabricated with GRCop-84 (an alloy of copper, chrome, and niobium) and a protective layer of NiCrAlY on the hot wall. A variety of thrust chamber liner designs have been fabricated to demonstrate the versatility of the process. Hot-fire test results have confined the improved durability and high temperature performance of the material systems for thrust chamber liners. Similar FGM s have been applied to provide superior thermal protection on injector faceplates with NiCrAlY and zirconia coatings. The durability of the applied materials has been demonstrated with hot-fire cycle testing on injector faceplates in high temperature environments. The material systems can benefit the components used in booster and main engine propulsion systems. More recent VPS efforts are focused on producing rhenium based material systems for high temperature applications to benefit in-space engines like reaction control system (RCS) thrusters.

Elam, Sandra↗