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Results for “molybdenum oxides”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Stability of zirconium hydride

This reports complete Milestone M2.2.1 Stability of zirconium hydride: Experimental investigation of the hydrogen concentration of encapsulated zirconium hydride before and after joining. In this milestone, we first report the successful fabrication of crack-free bulk zirconium hydride by using the ORNL static hydriding system. The fabricated hydride was characterized by using X-ray diffraction (XRD) and X-ray computed tomography (XCT). XRD results showed that the δ-phase zirconium hydride, α-zirconium, and ε-phase hydride were present. XCT confirmed the absence of the internal cracking. The hydrogen concentration was determined by the weight change before and after hydrogen loading, given the fact that the oxide phase was not found during XRD analysis. Two metallic cladding materials, i.e., molybdenum and FeCrAl, were selected to encapsulate the fabricated zirconium hydride pellets. Demonstration capsules were designed and machined. Mo crucible was successfully sealed by using a combination of electron beam welding and gas tungsten arc welding. Due to the undesired neutronics property of Mo, further investigation of this cladding material was not pursued. Electron beam welding and laser beam welding were employed to seal the FeCrAl capsules. XRD were performed on the zirconium hydride before and after the sealing. The results showed that the welding process has negligible impact on the hydrogen content in the FeCrAl-canned zirconium hydride. The presented work fulfilled the proposed work under this milestone and paves a pathway to fabricate single-phase zirconium hydride and to develop robust cladding materials to can bulk zirconium hydride.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Article with transparent conductive layer and method of making the same

A method of making a coated article includes forming a first coating over a first surface of a substrate; and forming a second coating over a second surface of the substrate. The second coating includes a first conductive layer including tin oxide and at least one material selected from the group consisting of tungsten, molybdenum, and niobium.

14 SOLAR ENERGY↗
DOE OSTI2020

Article with transparent conductive oxide coating

A solar cell includes a first substrate having a first surface and a second surface. An underlayer is located over the second surface. A first conductive layer is located over the underlayer. An overlayer is located over the first conductive layer. A semiconductor layer is located over the conductive oxide layer. A second conductive layer is located over the semiconductor layer. The first conductive layer includes a conductive oxide and at least one dopant selected from the group consisting of tungsten, molybdenum, niobium, and/or fluorine.

14 SOLAR ENERGY↗
DOE OSTI2022

Silicon alloying enhances fast heating rate combustion of aluminum particles

Alloys and composites of aluminum (Al) have shown promise in regulating and enhancing particle combustion for energy generation applications. Recent work on aluminum-silicon (Al-Si) spherical alloy particles has shown improved combustion at low heating rates through enhanced diffusion accompanying a lower melting temperature. This study extends reactivity analysis to higher heating rates, comparing oxidation of Al-Si with Al. Flame speeds of Al-Si powder mixed with molybdenum trioxide (MoO 3 ) powder (Al-Si+MoO 3 ) exhibited a faster transition to steady propagation relative to Al+MoO 3 . Bomb calorimetry experiments revealed up to 5.8% greater early temperature rise for Al-Si powder. Rapid steady propagation for Al-Si mixture and faster temperature rise for Al-Si particles were attributed to accelerated kinetics evidenced in thermal equilibrium analysis of the mixtures using a differential scanning calorimeter (DSC). Larger DSC exotherms in the early stages of oxidation (i.e., 480–720 °C) correlated with early heat release and promoted steady flame propagation for Al-Si+MoO 3 compared with Al+MoO 3 . Furthermore, in multiple heating rate DSC studies, Al-Si+MoO 3 ignited at a lower heating rate (i.e., 15 ⁰C/min) than Al+MoO 3 (i.e., 20 ⁰C/min). Both mixtures ignited at temperatures less than 625 °C which is above the melting temperature of Al-Si (574 °C) and below Al (659 °C). Thus, alloy particle fuels with enhanced diffusion-controlled kinetics promote steady flame propagation and show promise for energy generation applications. This is especially promising for technologies driven by enhanced condensed phase combustion such as some propellant additives or applications dependent on reliable burn rates such as pyrotechnic time delay formulations and primers.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Comparison of seal materials for use in Stirling engines

In a dry, reciprocating sliding test, rods of 12 different surface materials rubbed against a glass filled PTFE gas seal. To simulate operation in a Stirling engine a gas (N2) pressure of 1 MPa differential pressure was applied across the seal. Gas leakage rates, rods surface temperatures, changes in the surface finish of the rod, surface hardness of the rod and wear rate of the seals were measured. The rod surface materials that produced the least seal were: plasma sprayed molybdenum (75 Mo 18 Ni 4 Cr), gas nitrided steel, and plasma sprayed aluminum oxide (94 Al2O3 6 TiO2). In contrast to almost all other mating surfaces, the surface roughness of the rods coated with Mo did not decrease during wear. This property is very important for the formation of a PTFE transfer film on the mating surface. The presence of a stable transfer film gives a low PTFE wear rate.

Lundholm, G.↗
DOE OSTI2023

Single-Site Carbon-Supported Metal-Oxo Complexes in Heterogeneous Catalysis: Structure, Reactivity, and Mechanism

When early transition metal complexes are molecularly grafted onto catalyst supports, well-defined, surface-bound species are created, which are highly active and selective single-site heterogeneous catalysts (SSHCs) for diverse chemical transformations. Further, in this minireview, we analyze and summarize a less conventional type of SSHC in which molybdenum dioxo species are grafted onto unusual carbon-unsaturated scaffolds, such as activated carbon, reduced graphene oxide, and carbon nanohorns. The choice of earth-abundant, low-toxicity, versatile metal constituents, and various carbon supports illustrates “catalyst by design” principles and yields insights into new catalytic systems of both academic and technological interest. Here, we summarize experimental and computational investigations of the bonding, electronic structure, reaction scope, and mechanistic pathways of these unusual catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Atomic Oxygen Effects on Materials

One objective of this investigation has been to offer recommendations on the selection of metal samples to be exposed to ambient atomic oxygen on the STS-8 flight presently scheduled for August 30, 1983. (These samples constitute a small subgroup of a very large group of test specimens prepared by A. Whitaker and other members of the Physical Sciences Branch for this mission.) The metals selected and prepared for STS-8 are silver, lead, copper, nickel, tungsten, molybdenum, magnesium, platinum, and alloys of FeCrAl and NiCr. Literature data are reviewed concerning the oxidation properties of these materials with a view towards understanding which oxides might be formed, the state of the oxide (surface film or volatile form), and the reaction rate. In addition, various techniques for characterizing the parent metals and the surface oxides are reviewed.

Fromhold, A. T.↗
NASA NTRS1993

Thermal spray forming of refractory sample ampoule cartridges for single crystal growth space furnaces

A thermal spray process is being used to build up refractory metals and ceramics into a containment cartridge for high temperature, single crystal semiconductor growth experiments. This process uses high energy plasma inside a low pressure (100-200 torr) inert environment to apply layers of material onto a removable mandrel. A variety of materials are being characterized and evaluated against a demanding set of requirements, including high service temperature (1700 C), oxidation resistance, and resistance to liquid metal attack. Techniques to spray form refractory metals (tungsten, molybdenum, niobium, tantalum) and ceramics (alumina, boron nitride) are being developed in the Plasma Spray Cell at Marshall Space Flight Center. These plasma spray formed materials have been evaluated for mechanical properties, density, microstructure, and resistance to liquid metal attack. Forming techniques and the resultant mechanical and metallurgical properties will be presented.

Zimmerman, Frank↗
NASA NTRS1993

Thermal spray forming of refractory sample ampoule cartridges for single crystal growth space furnaces

A thermal spray process is being used to build up refractory metals and ceramics into a containment cartridge for high temperature, single crystal semiconductor growth experiments. This process uses high energy plasma inside a low pressure (100-200 torr) inert environment to apply layers of material onto a removable mandrel. A variety of materials are being characterized and evaluated against a demanding set of requirements, including high service temperature (1700 C), oxidation resistance, and resistance to liquid metal attack. Techniques to spray form refractory metals (tungsten, molybdenum, niobium, tantalum) and ceramics (alumina, boron nitride) are being developed in the Plasma Spray Cell at Marshall Space Flight Center. These plasma spray formed materials have been evaluated for mechanical properties, density, microstructure, and resistance to liquid metal attack. Forming techniques and the resultant mechanical and metallurgical properties are presented.

Zimmerman, Frank↗
DOE OSTI2023

Single‐Site Carbon‐Supported Metal‐Oxo Complexes in Heterogeneous Catalysis: Structure, Reactivity, and Mechanism

Abstract When early transition metal complexes are molecularly grafted onto catalyst supports, well‐defined, surface‐bound species are created, which are highly active and selective single‐site heterogeneous catalysts (SSHCs) for diverse chemical transformations. In this minireview, we analyze and summarize a less conventional type of SSHC in which molybdenum dioxo species are grafted onto unusual carbon‐unsaturated scaffolds, such as activated carbon, reduced graphene oxide, and carbon nanohorns. The choice of earth‐abundant, low‐toxicity, versatile metal constituents, and various carbon supports illustrates “catalyst by design” principles and yields insights into new catalytic systems of both academic and technological interest. Here, we summarize experimental and computational investigations of the bonding, electronic structure, reaction scope, and mechanistic pathways of these unusual catalysts.

Liu, Yiqi↗
DOE OSTI2022

Computational Modeling of Multi-Pass Rolling Parameters Effect on Resulting Fuel Foil Shape

A focus of the U.S. Department of Energy is to improve production yield and reduce the cost of Low Enriched Uranium (LEU)-molybdenum alloy (U-10Mo) monolithic fuel plates that will be replacing High Enriched Uranium (HEU) oxide dispersion fuels used currently in the United States High Performance Research Reactors (USHPRR). One area of improvement is lowering the high transverse waviness and longitudinal waviness currently present within rolled foils prior to cladding to produce fuel plates. Traditional rolling manufacturing techniques for other metal foils use winders to pull and straighten the foil as it is rolled back and forth to the final thickness. This approach cannot be used to roll thin U-10Mo foils (0.008-0.025” thick) because only small castings can be rolled due to nuclear criticality safety concerns. As a result, the fuel foils are too short (1 m in length) to use traditional winders. Therefore, it is crucial to identify other rolling parameters (i.e., roller friction, axial tension load, roller diameter, and roll pass reduction percent) that might reduce transverse waviness and longitudinal waviness in the rolled fuel foil and develop a high-yield, low-cost multi-pass rolling manufacturing process. This report documents a systematic finite element modeling study to investigate the effects of numerous rolling parameters to reduce resulting transverse waviness and longitudinal waviness in the fuel foil during multi-pass rolling of U-10Mo foils. The rolling of a U-10Mo plate with initial dimensions of 1”x1”x 0.048” is modeled using Abaqus CAE. This rolling is modeled to undergo eight 20% reduction roll passes to a final fuel foil thickness of 0.01”. The elastic-plastic constitutive model of the U-10Mo alloy was input to the fuel foil rolling model. The rollers were modeled as rigid bodies. A comparison of rolling friction coefficients of 0.3 and 0.7 over a wide range of applied axial tension loads were investigated in order to evaluate the effect of using a lubricant during rolling. The effect of roller diameter on the resulting transverse waviness and longitudinal waviness of the fuel foil over a wide range of axial tension loads were also investigated by modeling rollers 7/8” and 3.75” in diameter. The results of this systematic finite element method study will aid manufacturers in producing low transverse waviness and reduced longitudinal waviness in U-10Mo fuel foils.

U-10Mo, FEA, Rolling, Residual Stress, Fuel Foil↗
DOE OSTI2020

Identifying and Tuning the In Situ Oxygen-Rich Surface of Molybdenum Nitride Electrocatalysts for Oxygen Reduction

Rigorous in situ studies of electrocatalysts are required to enable the design of higher performing materials. Nonplatinum group metals for oxygen reduction reaction (ORR) catalysis containing light elements such as O, N, and C are known to be susceptible to both ex situ and in situ oxidation, leading to challenges associated with ex situ characterization methods. We have previously shown that the bulk O content plays an important role in the activity and selectivity of Mo–N catalysts, but further understanding of the role of composition and morphological changes at the surface is needed. Here, we report the measurement of in situ surface changes to a molybdenum nitride (MoN) thin film under ORR conditions using grazing incidence X-ray absorption and reflectivity. We show that the half-wave potential of MoN can be improved by ~90 mV by potential conditioning up to 0.8 V versus RHE. Utilizing electrochemical analysis, dissolution monitoring, and surface-sensitive X-ray techniques, we show that under moderate polarization (0.3–0.7 V vs RHE) there is local ligand distortion, O incorporation, and amorphization of the MoN surface, without changes in roughness. Furthermore, with a controlled potential hold procedure, we show that the surface changes concurrent with potential conditioning are stable under ORR relevant potentials. Conversely, at higher potentials (≥0.8 V vs RHE), the film incorporates O, dissolves, and roughens, suggesting that in this higher potential regime, the performance enhancements are due to increased access to active sites. Density functional theory calculations and Pourbaix analysis provide insights into film stability and O incorporation as a function of potential. These findings coupled with in situ electrochemical surface-sensitive X-ray techniques demonstrate an approach to studying nontraditional surfaces in which we can leverage our understanding of surface dynamics to improve performance with the rational, in situ tuning of active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Control of High-Temperature Static and Transient Thermomechanical Behavior of SiMo Ductile Iron by Al Alloying

Abstract Silicon and molybdenum ( SiMo ) ductile iron is commonly used for exhaust manifolds because these components experience thermal cycling in oxidizing environment, which requires resistance to fatigue during transient thermomechanical loads. Previous studies have demonstrated that alloying elements, such as Al , to SiMo ductile iron reduces the amount of surface degradation during static high-temperature exposure. However, deterioration of sphericity of the graphite nodules and a decrease in ductility could affect the tendency of cracking during thermal cycling. In this article, the effect of Al alloying on static and transient thermomechanical behavior of SiMo ductile iron was investigated to optimize the amount of Al alloying. A thermodynamic approach was used to confirm the effect of the Al alloying on the phase transformations in two SiMo cast irons, alloyed by 1.8% Al and 3% Al . These two alloys were cast in a laboratory along with the baseline SiMo ductile iron. Several experimental methods were used to evaluate the dimensional stability, physical properties, static oxidation, and failure resistance during constrained thermal cycling testing to compare their high-temperature capability. Experimental results verified that Al alloying increases the temperature range and decreases volume change during eutectoid transformation, which together with enhancement of oxidation protection improved the dimensional stability. Thermocycling tests showed that the number of cycles to failure depends on the amount of Al alloying and the applied high-temperature exposure during each cycle. SEM/EDX, high-resolution TEM and µCT analysis were used to verify the mechanism resulting from the Al alloying protection. It was shown that an optimal level of Al alloying for balancing oxidation and thermal cracking resistance depends on thermomechanical conditions of application.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Direct conversion of methane to aromatics and hydrogen via a heterogeneous trimetallic synergistic catalyst

Abstract Non-oxidative methane dehydro-aromatization reaction can co-produce hydrogen and benzene effectively on a molybdenum-zeolite based thermochemical catalyst, which is a very promising approach for natural-gas upgrading. However, the low methane conversion and aromatics selectivity and weak durability restrain the realistic application for industry. Here, a mechanism for enhancing catalysis activity on methane activation and carbon-carbon bond coupling has been found to promote conversion and selectivity simultaneously by adding platinum–bismuth alloy cluster to form a trimetallic catalyst on zeolite (Pt-Bi/Mo/ZSM-5). This bimetallic alloy cluster has synergistic interaction with molybdenum: the formed CH 3 * from Mo 2 C on the external surface of zeolite can efficiently move on for C-C coupling on the surface of Pt-Bi particle to produce C 2 compounds, which are the key intermediates of oligomerization. This pathway is parallel with the catalysis on Mo inside the cage. This catalyst demonstrated 18.7% methane conversion and 69.4% benzene selectivity at 710 °C. With 95% methane/5% nitrogen feedstock, it exhibited robust stability with slow deactivation rate of 9.3% after 2 h and instant recovery of 98.6% activity after regeneration in hydrogen. The enhanced catalytic activity is strongly associated with synergistic interaction with Mo and ligand effects of alloys by extensive mechanism studies and DFT calculation.

03 NATURAL GAS↗
DOE OSTI2025

Spotlight: efficient automated global optimization in rietveld analysis of diffraction data

Performing reliable Rietveld analysis on tens or hundreds of powder diffraction datasets from parametric or time-resolved experiments often poses a bottleneck in extracting meaningful results from the data. While automated analysis of data has recently been demonstrated, high temperature annealing studies, during which phase transformations occur and lattice parameters may change due to repartitioning of elements, are prime examples where automation by a simple phase identification from a database of room temperature structures or automation by sequential refinements is likely to fail. To enable reliable, efficient, automated Rietveld analysis, we present a Python package named Spotlight , building on established Rietveld packages such as MAUD, GSAS , or GSAS-II , which extends the refinement of best fit parameters to a global optimization using an ensemble of optimizers leveraging hierarchical parallel execution on high-performance computing clusters. Spotlight further enables the efficient design of refinement plans through the iterative automated machine-learning of a surrogate for the refinement on which the global optimizations are performed until results from the surrogate converge to the response surface data. We demonstrate Spotlight with the analysis of uranium molybdenum and Ti–6Al–4V datasets, as well as in two open-source tutorials analyzing aluminium oxide and lead sulphate.

36 MATERIALS SCIENCE↗