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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Stable Co-valorization of Carbon Dioxide and Methane via Dynamic Reconstruction of a Metal Oxide Solid Solution Catalyst

Dry reforming of methane (DRM) is a process that converts two greenhouse gases (methane and carbon dioxide) into syngas, a mixture of H 2 and CO, that can lead to a variety of value-added chemicals. Owing to its endothermic nature, high reaction temperatures up to 800 °C are typically required and the grand challenge lies in developing robust catalysts without sintering and coking-induced deactivation during the long-term on-stream operation. Towards this aim, herein, a robust complex oxide-supported NiCu alloy catalyst was generated in situ during DRM. By leveraging the configurational stability of a solid oxide solution precursor, tightly anchored NiCu bimetallic nanoparticles were in situ exsoluted and acted as the active sites in DRM. The as-afforded catalyst exhibited stable performance for DRM due to the ability to repel coke off the surface as the reaction proceeds. Kinetic experiments along with top surface characterization detail the reconstruction behavior of the solid oxide solution under DRM reaction conditions. In conclusion, the fundamental insights from this work provide guidance on generating resistant and flexible catalysts via in situ active sites formation from easily synthesized metal oxide solid solutions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

A theoretical investigation of the effect of Ga alloying on thermodynamic stability, electronic-structure, and oxidation resistance of Ti 2 AlC MAX phase

We present a systematic investigation of thermodynamic stability, phase-reaction, and chemical activity of Al containing disordered Ti 2 (Al-Ga)C MAX phases using machine-learning driven high-throughput framework to understand the oxidation resistance behavior with increasing temperature and exposure to static oxygen. The A-site (at Al) disordering of Ti 2 AlC with Ga shows significant change in the chemical activity of Al with increasing temperature and exposure to static oxygen, which is expected to enable surface segregation of Al, thereby, the formation of Al 2 O 3 and improved oxidation resistance. We performed in-depth convex hull analysis of ternary Ti-Al-C, Ti-Ga-C, and Ti-Al-Ga-C based MAX phase, and provide detailed contribution arising from electronic, chemical and vibrational entropies. The thermodynamic analysis shows change in the Gibbs formation enthalpy (ΔG form ) at higher temperatures, which implies an interplay of temperature-dependent enthalpy and entropic contributions in oxidation resistance Ga doped Ti 2 AlC MAX phases. A detailed electronic structure and chemical bonding analysis using crystal orbital Hamilton population method reveal the origin of change in phases stability and in oxidation resistance in disorder Ti2(Al 1-x Ga x )C MAX phases. Our electronic structure analysis correlate well with the change in oxidation resistance of Ga doped MAX phases. We believe our study provides a useful guideline to understand to role of alloying on electronic, thermodynamic, and oxidation related mechanisms of bulk MAX phases, which can work as a precursor to understand oxidation behavior of twodimensional MAX phases, i.e., MXenes (transition metal carbides, carbonitrides and nitrides).

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Tracer Study on sCO2 Corrosion with Multiple Oxygen-Bearing Impurities

Abstract Several modern power production systems utilize supercritical CO 2 (sCO 2 ), which can contain O 2 and H 2 O as impurities. These impurities may degrade the compatibility of structural alloys through accelerated oxidation. However, it remains unclear which of these impurities plays a bigger role in high-temperature reactions taking place in sCO 2 . In this study, various model and commercial Fe‐ and Ni‐based alloys were exposed in 300 bar sCO 2 at 750 °C to low levels (50 ppm) of O 2 and H 2 O for 1,000 h. 18 O-enriched water was used to enable the identification of the oxygen source in the post-exposure characterization of the samples. However, oxygen from the water did not accumulate in the scale, which consisted of Cr 2 O 3 in the cases where a protective oxide formed. A 2wt.% Ti addition to a Ni-22%Cr model alloy resulted in the formation of thicker oxides in sCO 2 , while a 1wt.% Al addition reduced the scale thickness. A synergistic effect of both Al and Ti additions resulted in an even thicker oxide than what was formed solely by Ti, similar to observations for Ni-based alloy 282.

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

Challenges and opportunities to alloyed and composite fuel architectures to mitigate high uranium density fuel oxidation: Uranium diboride and uranium carbide

Here, the challenges and opportunities to alloyed and composite fuel architectures designed and intended to mitigate oxidation of the fuel during a cladding breach of a water-cooled reactor are discussed in three review manuscripts developed in parallel, with the presented article focused on the oxidation performance of uranium diboride and uranium monocarbide. Several high uranium density fuels are under consideration for deployment as accident tolerant and/or advanced technology nuclear reactor fuels, including UN, U 3 Si 2 , UB 2 , and UC. Presented here is the literature for UB 2 and UC degradation modes, thermodynamics, and oxidation performance of the pure compounds and reported alloyed and composite architectures. Furthermore, this review covers the materials and techniques for the incorporation of additives, dopants, or composite fuel architectures to improve the oxidation behavior for high uranium density fuels for use in LWRs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

High-temperature oxidation of transient-liquid phase bonded Ni-based alloys in 1 bar and 250 bar carbon dioxide

Compact microchannel heat exchanger designs for supercritical CO 2 power cycles are valued for equipment size reduction and increased heat transfer. They can be fabricated via transient-liquid phase (TLP) bonding, which utilizes a lower melting point interlayer for bonding facilitation of etched thin plates. Haynes 230 and 282 TLP bonded stacks were exposed to high-purity CO 2 at 1 bar/700 °C to 4000 h and 250 bar/720 °C (supercritical) to 1500 h. All samples obeyed parabolic kinetics after an oxide buildup stage of 500-1000 h. Mass gains were similar for the base and TLP bonded alloys, and oxide thicknesses and scales did not significantly differ around the TLP bond regions. Furthermore, there were some slight oxide compositional differences for the H282 TLP samples at 250 bar. There was a slight pressure effect on mass gain, as samples exposed at the higher pressure experienced higher initial mass gains, but then slower continued oxide growth.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys.

Advanced Photon Source↗
DOE OSTI2020

Aqueous passivation of multi-principal element alloy Ni 38 Fe 20 Cr 22 Mn 10 Co 10 : Unexpected high Cr enrichment within the passive film

The aqueous passivation of a non-equiatomic Ni 38 Fe 20 Cr 22 Mn 10 Co 10 - at.% (Ni 40 Fe 20 Cr 20 Mn 10 Co 10 - wt.%) multi-principal element alloy (MPEA) was investigated in 0.1 M NaCl at pH 4 and compared to a conventional binary Ni 76 Cr 24 – at.% (Ni 78 Cr 22 – wt.%) alloy. The electrochemical behavior and oxide film characteristics were explored utilizing in-situ electrochemical and ex-situ surface-sensitive techniques. The passive film composition, thickness, and elemental valence states, as well as, the fate of each element were studied by in-situ atomic emission spectro-electrochemistry, ex-situ X-ray photoelectron spectroscopy, and atom probe tomography. The Ni 38 Fe 20 Cr 22 Mn 10 Co 10 MPEA demonstrated slightly better corrosion resistance compared to the binary Ni 76 Cr 24 , alloy. Passive films on the MPEA contained primarily Cr, and small amounts of Ni, Fe, Co and Mn, while dissolution of Ni, Fe, Co was observed. Ni 0 was enriched at the oxide/metal interface while Cr was depleted. Enrichment of Cr in the passive film occurred to a greater extent in the MPEA than for the Ni-Cr binary alloy. As a result, enrichment factors were determined and the origins of enrichment are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Oxide structure of air-passivated U-6Nb alloy thin films

U-6Nb is a uranium alloy containing 6 wt% niobium that possesses high corrosion resistance. The structure and composition of the passivating oxide layer formed on air-aged U-6Nb, which gives the material its corrosion resistant properties, was characterized using surface scattering techniques. Stable oxide layers formed on the surface of a set of U-6Nb alloy thin films under ambient conditions were investigated using neutron reflectometry (NR), x-ray reflectometry (XRR) and grazing incidence x-ray diffraction (GIXD). The passivating oxide was composed of approximately 27% U, 5% Nb, and 68% O, primarily consisting of a thin niobium oxide layer (5.5 ± 0.4 nm) separating a thicker UO2 layer (27.1 ± 2.3 nm) from the underlying U-6Nb alloy. A critical density of enriched niobium oxide at the metal-oxide interface is hypothesized to limit oxygen diffusion and confer high corrosion resistance to the alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Determine Oxidation State of Transition Metals in Molten Salt Corrosion using Electron Energy Loss Spectroscopy

This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni 20Cr model alloy were corroded in molten ZnCl2 and KCl-MgCl2 under argon atmosphere at various temperatures. Oxidation states of Cr (Cr3+) and Ni (Ni2+) in the molten salt after corrosion were determined by monitoring changes in the L2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structure characterization and steam oxidation performance of U 3 Si 2 with Zr alloying additions

Research and development of high uranium density fuels supports the on-going effort to enhance reactor technology, safety, performance, and economics. Among high uranium density fuels, U 3 Si 2 is a favored fuel candidate due to its higher uranium density and improved thermal conductivity when compared to traditional UO 2 . While U 3 Si 2 demonstrates an improved fuel economy, it suffers from rapid degradation when exposed to water at T > 300°C. In order for U 3 Si 2 to be implemented in water cooled reactors, the water reaction must be understood and mitigated. Reported here is the performance of Zr alloying additions to U 3 Si 2 exposed to high temperature steam oxidation environments. Here, the investigation shows that homogenization heat treatment contributes to a delayed onset of oxidation and an improved homogeneity throughout the arc-melt fabricated alloyed compositions. Of the pre- and post-annealed samples, the post-annealed 7 vol% Zr addition exhibited the highest onset temperature of oxidation. A preliminary computational investigation to complement the experimental analysis assesses the solubility of Zr in U 3 Si 2 and its incorporation in the crystal lattice.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Thermal stability of additively manufactured austenitic 304L ODS alloy

Thermal stability and high-temperature mechanical properties of a 304L austenitic oxide dispersion strengthened (ODS) alloy manufactured via laser powder bed fusion (LPBF) are examined in this work. Additively manufactured 304L ODS alloy samples were aged at temperatures of 1000, 1100, and 1200 °C for 100 h in an argon atmosphere. Microstructure characterization of LPBF 304L ODS alloy before and after the thermal stability experiments revealed that despite the annihilation of dislocations, induced cellular substructure by the LPBF process was partially retained in the ODS alloy even after aging at 1200 °C. The size of Y-Si-O nanoparticles after aging at 1200 °C increased from 25 to 50 nm. EBSD analysis revealed that nanoparticles retained the microstructure of LPBF 304L ODS and hindered recrystallization and further grain growth. At 600 °C and 800 °C, the yield stress of the 290 and 145 MPa were measured, respectively, which are substantially higher than 113 MPa, and 68 MPa for 304L at the same temperatures. Furthermore, the creep properties of LPBF 304L ODS alloy were evaluated at a temperature of 700 °C under three applied stresses of 70, 85, and 100 MPa yielding a stress exponent (n) of ~7.7; the minimum creep rate at 100 MPa was found to be about two orders of magnitude lower than found in the literature for wrought 304L stainless steel.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multiscale Modeling of Nanoparticle Precipitation in Oxide Dispersion-Strengthened Steels Produced by Laser Powder Bed Fusion

Laser Powder Bed Fusion (LPBF) enables the efficient production of near-net-shape oxide dispersion-strengthened (ODS) alloys, which possess superior mechanical properties due to oxide nanoparticles (e.g., yttrium oxide, Y-O, and yttrium-titanium oxide, Y-Ti-O) embedded in the alloy matrix. To better understand the precipitation mechanisms of the oxide nanoparticles and predict their size distribution under LPBF conditions, we developed an innovative physics-based multiscale modeling strategy that incorporates multiple computational approaches. These include a finite volume method model (Flow3D) to analyze the temperature field and cooling rate of the melt pool during the LPBF process, a density functional theory model to calculate the binding energy of Y-O particles and the temperature-dependent diffusivities of Y and O in molten 316L stainless steel (SS), and a cluster dynamics model to evaluate the kinetic evolution and size distribution of Y-O nanoparticles in as-fabricated 316L SS ODS alloys. The model-predicted particle sizes exhibit good agreement with experimental measurements across various LPBF process parameters, i.e., laser power (110–220 W) and scanning speed (150–900 mm/s), demonstrating the reliability and predictive power of the modeling approach. The multiscale approach can be used to guide the future design of experimental process parameters to control oxide nanoparticle characteristics in LPBF-manufactured ODS alloys. Additionally, our approach introduces a novel strategy for understanding and modeling the thermodynamics and kinetics of precipitation in high-temperature systems, particularly molten alloys.

Wang, Zhengming (ORCID:0000000241627112)↗
DOE OSTI2020

High temperature steam oxidation dynamics of U 3 Si 2 with alloying additions: Al, Cr, and Y

Uranium silicides are considered for advanced technology reactor fuels due to their enhanced thermal conductivity and high uranium density (U 3 Si and U 3 Si 2 ) compared to traditional UO 2 . Susceptibility to oxidation and wash out, in the event of a cladding breech, could limit the potential for deployment of silicides as accident tolerant fuels. Mitigating the water reaction for U 3 Si 2 could enable its use as an accident tolerant, high uranium density fuel or as a composite fuel constituent. Reported here is the impact of alloying additions of Al, Cr and Y on the high temperature, steam oxidation response of U 3 Si 2 . In addition to the thermogravimetric response, as melted microstructures, phase compositions and post oxidation analysis are also presented. Here, the investigation shows steam oxidation dynamics are altered, from non-alloyed U 3 Si 2 , under thermally ramped conditions. However, additional alloy development of these fuel forms is necessary for further consideration as candidate accident tolerant fuels in water-cooled reactor designs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Surface oxidation and crystallization of FeNi-Based soft magnetic nanocrystalline and amorphous nanocomposite alloys

In this work, we present characterization of surface oxidation and crystallization behavior of Metal Amorphous Nanocomposite (MANC) (Fe 70 Ni 30 ) 80 Nb 4 Si 2 B 14 alloys via complementary x-ray diffraction, electron microscopy, and x-ray photoelectron spectroscopy techniques. An adherent amorphous oxide of roughly 15–20 nm in thickness is observed on the wheel side of the ribbon, enriched in Fe relative to Ni and with significant content of Si and Nb as would be expected based upon a comparison of the Gibbs free energy of formation of the stable oxide phases. The amorphous character of the oxide is likely to result from the significant Si-content coupled with the amorphous and nanocrystalline character of the underlying metallic layer. Higher density of FeNi-enriched nanocrystals is also observed within ~100 nm of the wheel-side surface, presumably due to reduction in local glass former concentration. A rough, crystalline copper oxide layer is also present and forms through contact between the copper wheel and the solidifying melt during the rapid solidification process. On the air side of the ribbon, a crystalline oxide layer of ~15–20 nm is formed as well as intergranular oxidation that penetrates along the grain boundaries between highly textured surface crystallites of ~50–100 nm in size. The crystalline nature of the oxide on these surfaces is asserted to result from the lack of significant Si-content and the pre-existing surface crystallites that form during the rapid solidification process which promote a crystalline oxide surface layer. Furthermore, these results shed new insights into the details of surface oxidation and can help to inform processing and alloy composition adjustments which seek to tailor surface properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Effect of Oxidizing Impurities on the Corrosion Behavior of Structural Alloys Exposed to MgCl 2 Molten Salt Vapor

The corrosion behavior of structural alloys SS304 and IN617 when exposed to vapors of MgCl 2 molten salt at 764 °C for 100 h in an argon atmosphere was investigated as a function of the level of oxidizing impurities (e.g., NaOH) present in the salt. Increasing the concentration of oxidizing impurities in the salt caused an increase in corrosion in both structural alloys, as measured by Cr depletion layers. A poorly adhered oxide scale layer containing Mg, Al, and Cr was observed on the surface of the metals, and local attack was observed as well. The Ni-based IN617 showed lower Cr depletion and less scale formation than the Fe-based SS304. These results demonstrate that oxidizing impurities in the molten salt will impact the vapor phase corrosion for structural members exposed to the molten salt headspace. This finding is highly relevant for understanding the effects of the vapor phase in molten salt applications, including molten salt thermal energy storage, molten salt nuclear reactors, and molten salt electrochemistry.

25 ENERGY STORAGE↗
DOE OSTI2023

Computationally-Guided ODS Refractory HEAs via Additive Manufacturing

This document is the final report for ARPA-E ULTIMATE project DE-AR0001422. To achieve higher efficiency turbine operation, the RTX Technology Research Center (RTRC) explored the use of additive manufacturing (AM) to produce test specimens of novel high entropy alloys (HEA) enhanced with oxide dispersion strengthening (ODS). HEAs, with multiple principal elements, offer a vast alloy design space rich with unique properties especially enhanced solid solution strengthening. ODS alloys historically are some of the best performing materials for high temperature applications. Leveraging AM enables near net shape part production and incorporation of ODS into the alloy. Density, melting temperature, and elevated temperature strength properties of several novel HEA compositions were found to meet or exceed program targets; however, obtaining sufficient room temperature ductility in these alloys proved challenging. In order to obtain an alloy with sufficient ductility, the team explored more conventional refractory alloy compositions, focusing on a niobium based alloy. This inherently ductile alloy also satisfied program metrics for cost, density, and fracture toughness. Results showed the oxide dispersions increased high temperature strength, and improved creep resistance compared to the conventional alloy, though the program creep metric was not met. Further tuning of the alloy chemistry, and optimization of the oxide dispersion, is likely required to improve creep resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase stabilization and oxidation of a continuous composition spread multi-principal element (AlFeNiTiVZr) 1-x Cr x alloy

Multi-Principal Element Alloys (MPEA) have been hypothesized to maintain a stable single alloy phase and resist corrosion at high temperatures, which are desirable in various functional applications, including material of turbine blades. However, studies into oxidation resistant alloys have been constrained to individual MPEA systems or a limited selection of compositions within those systems. Here, High-Throughput Experimental (HTE) techniques were utilized to rapidly assess phase stability and resistance to oxidation of an (AlFeNiTiVZr) 1-x Cr x continuous composition spread (CCS) thin-film alloy system. High-throughput synchrotron diffraction and Raman spectroscopy were used to identify phases, especially high symmetry structures and oxides, as a function of annealing time and composition. The formation of two distinct phase regions, R 1 and R 2 , across the CCS was observed. One of these phase regions, R 2 , exhibited a stable high symmetry BCC-like phase at Cr concentrations greater than 25.4 at%, and grew a passivating mixed metal surface oxide; whereas, the R 1 phase region, decomposed on oxidation to multiple oxides and reacted with the substrate to form silicides. The passivating mixed metal oxide layer appears to prevent destabilization of the (AlFeNiTiVZr) 1-x Cr x MPEA BCC solid solution. Furthermore, at longer annealing times the passivating phase was seen only above 29.2 at% Cr. High Cr-doped (AlFeNiTiVZr) 1-x Cr x appear to be a good candidate for high temperature, oxidation-resistant structural alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reanalysis of Cost and Moist Air Oxidation Performance for CF8C-Plus and Other Alloys for AUSC Applications

This report provides an economic analysis of CF8C-Plus and other candidate materials for Advanced Ultra Supercritical (AUSC) applications, including 347HFG, HR6W, Sanicro 25, Super 304H, Grade 92, SAVE12AD, Inconel 617, and Inconel 740H. An assessment of their moist air oxidation performance is also included. When compared with the aforementioned alloys, CF8C-Plus shows a favorable balance between cost, creep strength and moist air oxidation resistance in the temperature range of 600-700°C. Furthermore, its castability makes it additionally attractive from a manufacturing perspective. Materials with higher Ni content, such as HR6W, Sanicro 25, Inconel 617, and Inconel 740H, have better creep strength but the improved performance comes with increased cost. Stainless steel 347HFG exhibits inferior creep strength and lower moist air oxidation resistance, but at a greater cost, compared with CF8C-Plus. Super 304H, another stainless steel, has similar creep strength and cost compared to CF8CPlus at 700°C, but may not have as good moist air oxidation resistance. Grade 92 has lower creep strength and unfavorable economy compared with CF8C-Plus. SAVE12AD also has lower creep strength than CF8C-Plus, but has lower cost to use at 600°C. Both Grade 92 and SAVE12AD are also limited to the maximum use temperature of 649°C per ASME code case requirements.

36 MATERIALS SCIENCE↗