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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 181 records · Page 10

Achieving high tensile strength and ductility in refractory alloys by tuning electronic structure

The energy efficiency of heat engines (gas and steam turbines) for electricity production and propulsion is determined by the Carnot cycle and scales with operating temperature. Commercial nickel- and cobalt-based superalloys melt near 1,500 °C and rapidly lose mechanical strength beyond 1,000 °C. Refractory metals melt well above 2,000 °C but have inherent manufacturability challenges that are barriers to adoption, such as high ductile-to-brittle transition temperatures. Using density functional theory-guided design, we demonstrate tailored local lattice distortions that promote phase-stable, non-equiatomic refractory concentrated solid solutions with both high ductility and strength. Here, we exemplify this for single-phase, body-centred cubic Nb 4 Ta 4 V 3 Ti that exhibits castability, excellent room-temperature tensile yield strength (∼1 GPa) and ductility (approaching 20% uniform strain), and exceptional high-temperature tensile strength (500 MPa at 1,000 °C). These findings illustrate a path for designing materials that hold great potential for advancing next-generation technologies such as Generation IV fission reactors, first-generation fusion-plasma reactors, and more efficient gas turbines for electricity generation and propulsion.

DFT↗

Electrified vapour deposition at ultrahigh temperature and atmospheric pressure for nanomaterials synthesis

Vapour-phase synthesis methods have shown promise for the scalable synthesis of nanomaterials and coatings. However, the vaporization of different precursors for the synthesis of a broad nanomaterial space, particularly at atmospheric pressure, while maintaining compositional and structural control of the final product is challenging. Here we report the generation of an ultrahigh-temperature atomic vapour at atmospheric pressure based on electrified heating, for the growth of multi-elemental nanomaterials and thin films. This process relies on a reactor design whereby solid-state precursors are vaporized within a semi-confined space beneath an electrified heater that can reach ~3,000 K. The proximity of the heater rapidly breaks down the bonds of metal salt precursors and decomposes them into an atomic vapour that expands into a high-temperature (>2,000 K), highly reactive and high-flux vapour (10 21 –10 22 atoms per cm 2 per second) that travels upwards in a directional flow. When mixed with entrained ambient gases, the highly reactive atomic species rapidly nucleate and grow into the desired final products, including alloys, oxides, sulfides and thin films, which can be deposited on a low-temperature substrate. This EVD approach can synthesize a broad range of functional nanomaterials at atmospheric pressure, including single-phase multi-elemental nanomaterials formed under thermodynamically non-equilibrium conditions.

36 MATERIALS SCIENCE↗

Dual-phase superconductivity in high-pressure high-temperature synthesized TaNbZrHfTi

We report on a novel TaNbZrHfTi-based high entropy alloy (HEA) which demonstrates distinctive dual-phase superconductivity. The HEA was synthesized under high pressures and high temperatures starting from a ball milled mixture of elemental metals in a large-volume Paris–Edinburgh cell with P ≈ 6 GPa and T = 2300 K. The synthesized HEA is a phase mixture of BCC (NbTa)0.45(ZrHfTi)0.55 with Tc1 = 6 K and FCC (NbTa)0.04(ZrHfTi)0.96 with Tc2 = 3.75 K. The measured magnetic field parameters for the HEA are lower critical field, Hc1(0) = 31 mT, and a relatively high upper critical field, Hc2(0) = 4.92 T. This dual-phase system is further characterized by the presence of a second magnetization peak, or the fishtail effect, observed in the virgin magnetization curves. This phenomenon, which does not distort the field-dependent magnetization hysteresis loops, suggests intricate pinning mechanisms that could be potentially tuned for optimized performance. The manifestation of these unique features in HEA superconductivity reinforces phase-dependent superconductivity and opens new avenues in the exploration of novel superconducting materials.

Materials Science↗

Ab initio prediction of FeCr sigma (001)/FCC Fe(111) interfacial energy: Effect of interfacial doping of C, B, and N

Interfacial energy plays a crucial role for high-temperature material systems in determining their microstructure evolution and mechanical properties. Optimizing the interfacial energy through doping can improve the stability, performance, and overall functionality of these materials. Here, the present study delivers theoretical investigation on the sigma FeCr (001)//FCC Fe (111) interfacial energy using ab initio methods, focusing on the implications of interfacial doping with important interstitial elements carbon (C), boron (B), and nitrogen (N). The calculated interfacial energy without doping is 0.183J/m 2 . Upon doping, notable reductions in interfacial energy were observed. Doping with B decreased the interfacial energy to 0.046J/m 2 , with single C doping to 0.126J/m 2 , with two C doping to 0.098J/m 2 , and with a single N doping to 0.071J/m 2 . These findings not only shed light on the atomistic origin for the effect of stabilizing the microstructure of stainless steel at elevated temperatures by interstitial doping, but also present a systematic, thorough ab initio approach to predict interfacial doping properties and guide alloy design to enhance the performance and stability.

FeCr sigma phase↗

Oxygen Reduction on Platinum-Nickel and Platinum-Cobalt Alloy Based Catalysts for High Temperature Proton Exchange Membrane Fuel Cells

Catalyst layers, with commercial PtNi/TKK (TECNiE52; platinum 46.5 wt%), PtCo/TKK (TEC36E52; platinum 45.8 wt%) catalysts, and an in-house catalyst PtNi-NC (platinum 38.4 wt%), synthesised using acoustic mixer and a tube furnace, are prepared using three different ionomers: 20 wt% Nafion®, 60 wt% polytetrafluoroethylene (PTFE), and an in-house 5 wt% ionomer (‘Ionomer X’). These inks are bar-coated onto carbon paper gas diffusion layers (GDLs), which are cut into 3 cm × 5 cm pieces. The coated layers are tested for oxygen reduction in a commercial gas diffusion electrode (GDE) test cell, FlexCell® (Gaskatel GmbH, Germany), using 85 wt% phosphoric acid at both room temperature and at 155°C. This study evaluates the polynorbornene (PNB)-based in-house ionomer performance as binder and in-house catalyst oxygen reduction reaction (ORR) activity in comparison to commercial products. The catalyst layers are characterised using X-ray diffraction (XRD) analysis, X-ray photoelectron spectroscopy (XPS), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Among the catalyst layers prepared with PTFE ionomer and tested at 155°C, the in-house catalyst demonstrates the highest ORR activity. Ionomer X proves to be a good candidate to be used as a per- and polyfluoroalkyl-free binder for high-temperature (HT) proton exchange membrane fuel cell (PEMFC) applications.

85 wt% phosphoric acid↗

Review and Summary of Corrosion Behavior for Aluminum-Clad Spent Nuclear Fuel in Dry Storage

A description of the corrosion behavior of aluminum alloys used for cladding on aluminum-based, aluminum-clad nuclear fuel used in research reactors under potential dry storage conditions has been compiled. An evaluation is made of potential additional corrosion with water postulated to not be removed during drying. The relative humidity (RH) produced by typical dryness criteria for industrial spent nuclear fuel drying is expected to be low, particularly at high temperatures (17% RH at 20°C and lower at higher temperatures). Existing corrosion data suggests that negligible vapor-phase corrosion of aluminum is expected at such low humidity, even for nominally bare aluminum surfaces. That is, the predicted relative humidity from free water (e.g., 17% RH) is below the “critical” relative humidity (~40% RH at room temperature), below which no significant corrosion is observed for bare aluminum. Furthermore, reported room-temperature corrosion rates are very low even under saturated (100% RH) water vapor. Existing results showing significant vapor-phase corrosion corresponded specifically to conditions of high temper ed with high relative humidity. A relatively large reservoir of (chemically bound) water exists in the aluminum (oxy)hydroxide films on the SNF cladding surface. The estimated total could saturate the gas even at relatively high temperature if fully released; however, its release as molecular water is expected to only be plausible if the temperature during storage exceeds both the drying temperature and the threshold for thermal decomposition of the trihydroxides (~220°C). Therefore, the combination of high temperature and high relative humidity that could drive significant corrosion is considered implausible during sealed dry storage following an appropriate drying process, to include >220°C drying for canisters that may approach or exceed this temperature during storage. Vapor-phase testing of aluminum samples with an adherent (oxy)hydroxide layer, prepared in liquid water to resemble those on actual aluminum-clad spent nuclear fuel (ASNF), did not observe evidence of additional corrosion even at combined high-temperature (up to 180°C) and high-humidity (up to 100% RH) conditions. Instead, small net mass losses were observed for most specimens and attributed to dehydration of the samples, which had been air-dried only prior to testing. ASNF being moved to dry storage is expected to have an existing (oxy)hydroxide film, suggesting that the cladding will be less prone to additional corrosion than bare aluminum metal. If significant corrosion did occur during sealed storage, the overall extent and impact is expected to be small. Corrosion post-closure of a canister would not alter the total amount of hydrogen in the canister, so it would have no effect on the maximum H 2 release already assessed in existing bounding calculations. In addition, the total amount of water in a 25-µm dense bayerite film would consume a only ~8 µm additional aluminum metal on average, if fully consumed by oxidizing aluminum metal to Al 2 O 3 . These conclusions are consistent with ASNF-in-canister simulations to date, which included a reaction pathway for corrosion using kinetics from previous literature and believed to be conservative and predicted very low rates of corrosion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Synthesis and Characterization of Superconductor Diodes

In the era of modern computing, quantum bits (or qubits) are extensively researched due to their ability to perform computations exponentially faster than classical computers. One promising method for synthesizing qubits on a macroscopic scale is through superconductor diodes (SDs). Unfortunately, SDs are currently limited by their dependence on extremely low temperatures (T ≈ 0K), which restricts their practical usability at larger scales. To address this limitation, researchers are exploring new materials and methods to identify superconductors with higher critical temperatures. My research at the Lawrence Livermore National Laboratory (LLNL) focuses on synthesizing and characterizing superconductor diodes to determine their efficiency for quantum computing applications. Bismuth thin films were synthesized with magnetron sputtering with separate thicknesses which provides information on methods to alter their resistivity. Bismuth was characterized as the topological insulator used in the diode, and its resistivity was measured using a standard four-point probe technique with 1 mA current. Bismuth (99.99% pure) was then purified in a tubular furnace at 400C to use within a Josephson junction as a topological insulator. Niobium and Tantalum Josephson junctions were then synthesized, and they were characterized using a lock-in amplifier four-point probe technique. Materials such as niobium and tantalum are used in high-entropy alloy research, which is a relatively new class of material that has little research within the superconductor diode community, yet the current research shows promise. We anticipate that testing high-entropy superconductors will reveal crucial factors, potentially leading to the development of high-temperature superconductors in the future.

36 MATERIALS SCIENCE↗

Metal-to-Ceramic Joining Methods to Support Development of Advanced Ceramic-Based CSP Components

The National Renewable Energy Laboratory, Missouri University of Science and Technology (MS&T), Massachusetts Institute of Technology (MIT), and Colorado School of Mines (CSM) collaborated to design, develop, and test a material concept at bench scale which will be used to achieve a ceramic-to-metal (C2M) joint between a selected metal HTF loop material and a selected ceramic material used by the Gen3 CSP technology pathway. The final joint assembly will need to possess sufficient mechanical properties to withstand static high-temperature (650 degrees-700 degrees C) and high-pressure (20 MPa) and thermal cycling (between 650 degrees C and 100 degrees C) conditions. The material concept consists of three key components: (1) a ceramic matrix composite (CMC) that serves as a compliant transition material aiming to mitigate the stresses due to the mismatch of coefficient of thermal expansion (CTE) from a direct ceramic-to-metal joint, (2) a metal-end joint utilizing a multi-principal element alloy (MPEA) with changing percentage of particle loading to bond the candidate metal to the CMC, and (3) a ceramic-end joint utilizing a glass ceramic to bond the candidate ceramic to the CMC.

14 SOLAR ENERGY↗

High-Temperature Oxidation Behavior of Wrought and Additive Manufactured H282 in Direct-Fired Supercritical CO2 Power Cycle Environments

Materials selection is a key concern for corrosion resistance in high temperature and pressure direct-fired supercritical CO2 power cycles. The effect of elevated pressure on corrosion resistance can be critical, as impurities within the supercritical fluid such as H2O and O2 can result in additional corrosion behaviors. Utilizing additive manufacturing (AM) methods for construction of power cycle components requiring both compact and complex designs could be advantageous. AM H282 produced by laser powder bed fusion was exposed to direct-fired conditions (95CO2 – 4H2O – 1 O2) at 750 °C at both atmospheric pressure and supercritical conditions (20 MPa) for up to 4,000 hours. Oxidation behavior, sub-surface carbide formation, and chromia scale volatilization was dependent upon AM preparation techniques and surface modifications. These results are discussed in terms of the potential compatibility issues that may arise when using AM alloys in high temperature regions of direct-fired sCO2 power cycles, particularly for thin-walled components.

Carney, Casey↗

Evaluating Microchannel Heat Exchanger Lifetime for Concentrating Solar Power Applications FY24Q4 (RPPR-1)

Microchannel heat exchanger technology is being pursued for next generation CSP concepts for primary power cycle heat addition and power cycle heat recuperation due to the high heat transfer coefficients and pressure containment advantages of small sCO 2 channels. The economics of future CSP plants as dictated by the SETO 2020 or 2030 targets depend on a heat exchanger with a 30-year lifetime (resisting creep, fatigue, corrosion, erosion) and operational characteristics such as fast ramping and the ability to withstand thermal shock. However, the lifetime and operational limits of microchannel heat exchangers operating at high-temperatures, particularly those constructed from high-nickel alloys, are not well known. This uncertainty has resulted in heat exchanger vendors not being able to accurately forecast heat exchanger lifetime as required by customers, specify operational limits as required by process engineers to prevent premature heat exchanger failure, or overdesign heat exchanger which leads to higher cost than necessary. Our goal is to evaluate heat exchanger lifetime and operational limits for the manufacturing and prototype design for next-generation CSP heat exchanger technology through a combination of collecting experimental data and modeling studies.

14 SOLAR ENERGY↗

Environmental Compatibility Issues for Ni-Based Alloys in Direct-Fired Supercritical CO2 Power Cycles

Direct-fired supercritical CO2 (sCO2) power cycles offer potential for high-efficiency power generation from natural gas and other fossil fuels with built-in carbon capture. Ni-based superalloys are the leading candidates for the hottest portions of these systems, where they must endure long-term exposure to high-temperature, high-pressure, high-velocity, impure CO2-rich environments. Herein we describe results of various experimental testing campaigns conduced at NETL showing that under such conditions, several simultaneously occurring degradation modes may be active including surface oxidation, alloy carburization, and oxide volatilization. It will be shown that the rates of degradation can be strongly affected by the alloy composition, impurities in the CO2, manufacturing method (wrought vs additive), and other factors. The influence of these factors in controlling alloy degradation are discussed in the context of potential compatibility issues for components in real sCO2 systems, such as compact heat exchangers. Finally, as a potential remedial measure, ongoing work involving protective coatings suitable for complex geometries is presented.

alloy oxidation↗

Microstructure Optimization and Novel Processing Development of ODS Steels for Fusion Environments (Final ARPA-E Report)

This project aimed to develop scalable, cost-effective fabrication of high-performance, oxide- dispersion-strengthened (ODS) steel using advanced manufacturing methods (AMMs) for fusion blanket-breeding applications. Gas atomization reaction synthesis (GARS) enables the synthesis of precursor ODS steel powders without prolonged mechanical alloying. This process creates a chromium (Cr)-enriched surface oxide with yttrium/titanium (Y/Ti)-enriched intermetallics in powder interiors. GARS powders were consolidated to >99% of the theoretical density using a first-of-a-kind shear assisted processing and extrusion (ShAPE) and laser-based powder bed fusion (L-PBF) AM processes. These processes led to ODS steels containing a high-density of nano-oxide dispersoids that enhance high-temperature mechanical properties. Such scalable, cost-effective fabrication of ODS steels can enable efficient power conversion cycles (=40%) at operating temperatures beyond 900 K in future fusion power plants.

36 MATERIALS SCIENCE↗

LAROMance Grade 91 Model Integration in NEML2

New reactor designs are targeting higher operating temperatures for increased thermal efficiency when compared to the current fleet of light water reactors. Designing structural components for these high temperature environments with reliable long-term operations requires material models that can accurately capture the deformation mechanisms active in these environments. The LAROMance surrogate material models are based on a database of mechanistic crystal plasticity simulations for high-temperature conditions. Inputs to the LAROMance models reflect the microstructural pedigree of the material, like dislocation densities and precipitate contents. Based on the evolution of these microstructural features, the LAROMance model provides the engineering scale constitutive model response. The LAROMance model was recently parameterized for Grade 91, a high temperature alloy. In the present work, the Grade 91 LAROMance model is implemented in the New Material Model Library, version 2 (NEML2). NEML2 provides a modular way to build material models from smaller blocks and was developed to vectorize the material update to efficiently run on modern computational architectures with graphics processing unit accelerators. NEML2 constitutive models can be used in simulations based on the multiphysics object-oriented simulation environment (MOOSE). This report provides details on the implementation of the Grade 91 LAROMance model in NEML2 and its verification of engineering scale finite element simulations in MOOSE.

42 - ENGINEERING↗

Manufacturability and performance response of developed Ni-based alloys for reactor environments

Under the Advanced Materials and Manufacturing Technologies program, two Ni-based alloys fabricated by laser powder bed fusion (LPBF) at Oak Ridge National Laboratory and by laser powder directed energy deposition (LP-DED) at Idaho National Laboratory have been evaluated: γ′-strengthened Haynes 282 and solution-strengthened Inconel 625. Printing defects were observed in the LPBF 282 alloy fabricated using a Renishaw AM250 machine, likely due to particle spattering during printing. For both the LPBF and LP-DED 282 alloys, annealing at 1,180°C for 1 h resulted in partial recrystallization and a bimodal grain distribution, and subsequent aging for 4 h at 800°C led to the formation of a high density of nano-size γ′-strengthening precipitates. Creep testing performed at 750°C revealed lower creep life and ductility for the LPBF and LP-DED 282 compared with wrought 282. X-ray computed tomography combined with optical and scanning electron microscopy microstructural characterization revealed crack formation in the LPBF 282 alloy during creep testing, initiated either from printing defects or from creep cavitation at grain boundaries. Creep cavitation and cracking at grain boundaries were also observed for the LP-DED 282 alloy, and optimization of the printing strategies and postheat treatments will be needed to fabricate high-performance 282 components for high-temperature nuclear applications.

36 MATERIALS SCIENCE↗

Additive Friction Stir Deposition of a Tantalum–Tungsten Refractory Alloy

Additive friction stir deposition (AFSD) is a solid-state metal additive manufacturing technique, which utilizes frictional heating and plastic deformation to create large deposits and parts. Much like its cousin processes, friction stir welding and friction stir processing, AFSD has seen the most compatibility and use with lower-temperature metals, such as aluminum; however, there is growing interest in higher-temperature materials, such as titanium and steel alloys. In this work, we explore the deposition of an ultrahigh-temperature refractory material, specifically, a tantalum–tungsten (TaW) alloy. The solid-state nature of AFSD means refractory process temperatures are significantly lower than those for melt-based additive manufacturing techniques; however, they still pose difficult challenges, especially in regards to AFSD tooling. In this study, we perform initial deposition trials of TaW using twin-rod-style AFSD with a high-temperature tungsten–rhenium-based tool. Many challenges arise because of the high temperatures of the process and high mechanical demand on AFSD machine hardware to process the strong refractory alloy. Despite these challenges, successful deposits of the material were produced and characterized. Mechanical testing of the deposited material shows improved yield strength over that of the annealed reference material, and this strengthening is mostly attributed to the refined recrystallized microstructure typical of AFSD. These findings highlight the opportunities and challenges associated with ultrahigh-temperature AFSD, as well as provide some of the first published insights into twin-rod-style AFSD process behaviors.

36 MATERIALS SCIENCE↗

Thermomechanical Processing for Improved Mechanical Properties of HT9 Steels

Thermomechanical processing (TMP) of ferritic–martensitic (FM) steels, such as HT9 (Fe–12Cr–1MoWV) steels, involves normalizing, quenching, and tempering to create a microstructure of fine ferritic/martensitic laths with carbide precipitates. HT9 steels are used in fast reactor core components due to their high-temperature strength and resistance to irradiation damage. However, traditional TMP methods for these steels often result in performance limitations under irradiation, including embrittlement at low temperatures (<~430 °C), insufficient strength and toughness at higher temperatures (>500 °C), and void swelling after high-dose irradiation (>200 dpa). This research aimed to enhance both fracture toughness and strength at high temperatures by creating a quenched and tempered martensitic structure with ultrafine laths and precipitates through rapid quenching and unconventional tempering. Mechanical testing revealed significant variations in strength and fracture toughness depending on the processing route, particularly the tempering conditions. Tailored TMP approaches, combining rapid quenching with limited tempering, elevated strength to levels comparable to nano-oxide strengthened ferritic alloys while preserving fracture toughness. For optimal properties in high-Cr steels for future reactor applications, this study recommends a modified tempering treatment, i.e., post-quench annealing at 500 °C or 600 °C for 1 h, possibly followed by a brief tempering at a slightly higher temperature.

36 MATERIALS SCIENCE↗

Radiation Damage Mitigation in FeCrAl Alloy at Sub-Recrystallization Temperatures

Traditional defect recovery methods rely on high-temperature annealing, often exceeding 750 °C for FeCrAl. In this study, we introduce electron wind force (EWF)-assisted annealing as an alternative approach to mitigate irradiation-induced defects at significantly lower temperatures. FeCrAl samples irradiated with 5 MeV Zr 2+ ions at a dose of 10 14 cm −2 were annealed using EWF at 250 °C for 60 s. We demonstrate a remarkable transformation in the irradiated microstructure, where significant increases in kernel average misorientation (KAM) and low-angle grain boundaries (LAGBs) typically indicate heightened defect density; the use of EWF annealing reversed these effects. X-ray diffraction (XRD) confirmed these findings, showing substantial reductions in full width at half maximum (FWHM) values and a realignment of peak positions toward their original states, indicative of stress and defect recovery. To compare the effectiveness of EWF, we also conducted traditional thermal annealing at 250 °C for 7 h, which proved less effective in defect recovery as evidenced by less pronounced improvements in XRD FWHM values.

FeCrAl alloys↗

Microstructural and Oxidation Effects of Nb Additions to U3Si2

U3Si2 is a long term, accident-tolerant nuclear fuel candidate for light-water reactors because of its superior thermal conductivity and increased uranium density when compared to traditional uranium dioxide (UO2). While reducing internal thermal stresses and increasing efficiency, U3Si2 exhibits energetic oxidation during certain off-normal and accident scenarios, which include coolant or steam exposure. To mitigate this, Nb is investigated as an alloy constituent to enhance corrosion resistance and increase mechanical strength. The work presented investigates the response of Nb-alloyed U3Si2 to steam atmospheres. A thermogravimetric analysis is conducted in flowing steam to T > 1000 °C to assess oxidation resistance. The phase characterization of as-melted, thermally annealed and post-oxidation compositions with up to 12 vol% Nb by powder X-ray diffraction, scanning electron microscopy, and energy dispersive spectroscopy is reported.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗