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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cast iron alloy for automotive engine applications with superior high temperature oxidation properties

A cast iron alloy is provided with a composition in weight percent (wt. %) of carbon between 2.6 to 3.4 wt. %, silicon between 2.4 to 3.2 wt. %, manganese between 0.3 to 0.6 wt. %, molybdenum between 0.4 to 1.2 wt. %, nickel between 0.6 to 1.75 wt. %, magnesium between 0.01 to 0.075 wt. %, aluminum between 1.8 to 3.5 wt. %, sulfur between 0.003 to 0.025 wt. %, zirconium between 0.001 to 0.02 wt. %, cerium between 0.001 to 0.03 wt. %, lanthanum between 0.0005 to 0.02 wt. %, and a balance of iron and unavoidable trace elements. A part formed from the cast iron alloy is also provided and the part has an Ac1 temperature equal to or greater than 895° C. and a thermo-mechanical fatigue lifetime of at least 10,000 cycles when cycled between 400° C. to 800° C. with a total cyclic strain equal to 0.001 m/m.

Godlewski, Larry Alan↗
DOE OSTI2024

Studies on Printability Methodologies and Directed-Energy-Deposition-Fabricated Iron Alloys for Nuclear Applications

This report provides results from a printability study of laser directed energy deposition (DED)-based additive manufacturing of nuclear-grade stainless steels as well as DED process parameter development for austenitic Alloy 709 (A709) and ferritic/martensitic Grade 91 (G91) and Grade 92 (G92) steels. The printability study includes the use of machine learning and physics-based modeling via commercial software such as FLOW-3D for insights into the impact of the alloy composition, particularly the carbon content, on the printability of stainless steels during the DED process. In the DED process development work, 1 cm 3 alloy blocks were deposited with broad ranges of laser powers, scan speeds, and hatch spacings to optimize the build quality, resulting in densities of more than 99.8% for all three alloys. The microstructure and mechanical properties were characterized using electron microscopy, X-ray diffraction, and Vickers hardness measurements. Further, tensile samples were extracted from DED-fabricated alloys utilizing the optimized process parameters. The present work provides guidance and progress towards the successful deployment of the DED process for the fabrication of structural components of nuclear reactors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Beneficial Effect of Iron in Aluminum-Cerium-Based Cast Alloys

Iron (Fe) has been considered a major impurity since it is detrimental to the mechanical properties of many cast aluminum alloys due to the formation of Fe-containing brittle intermetallic phases. Fe is found naturally as an impurity in bauxite ore, resulting in Fe contamination of aluminum alloys with increasing contamination from current recycling practices. The Al–Ce–Fe system was investigated using CALPHAD (CALculation of PHAse Diagrams) modeling and experimental casting techniques. It was found that additions of Fe to the Al–Ce system are beneficial to the strength (slightly) and ductility (significantly) of the ternary alloys, which is attributed to the formation of fine metastable Al 8 CeFe 2 phase with aggregate morphology and equilibrium Al 10 CeFe 2 phase, suppressing coarse proeutectic Al 11 Ce 3 phase in near-eutectic Al–Ce alloys. Heat treatment study showed that the metastable Al 8 CeFe 2 phase transforms to predicted equilibrium Al 10 CeFe 2 phase at 500 °C, with essentially no intermetallic or grain coarsening; thus, the alloy displayed excellent property retention. The Al–Ce–Fe alloy system offers opportunities for sustainable, recyclable alloy development using low-cost Fe and low-cost cerium (a byproduct of rare-earth extraction).

42 ENGINEERING↗
DOE OSTI2023

Atomic-scale electronic inhomogeneity in single-layer iron chalcogenide alloys revealed by machine learning of STM/S data

Chemical pressure from the isovalent substitution of Se by a larger Te atom in the epitaxial film of iron chalcogenide FeSe can effectively tune its superconducting, topological, and magnetic properties. However, such substitution during epitaxial growth inherently leads to defects and structural inhomogeneity, making the determination of alloy composition and atomic sites for the substitutional Te atoms challenging. Here, we utilize machine learning to distinguish between Se and Te atoms in scanning tunneling microscopy images of single-layer FeSe1−xTex on SrTiO3(001) substrates. Defect locations are first identified by analyzing spatial-dependent dI/dV tunneling spectra using the K-means clustering method. After excluding the defect regions, the remaining dI/dV spectra are further analyzed using the singular value decomposition method to determine the Se/Te ratio. Our findings demonstrate an effective and reliable approach for determining alloy composition and atomic-scale electronic inhomogeneity in superconducting single-layer iron chalcogenide films.

Materials Science↗
DOE OSTI2025

Sound velocities and thermal equation of state of fcc -iron-nickel alloys at high pressure and high temperature: Implications for the cores of Moon and several planets

Fcc-Fe-Ni alloy is believed to be the most dominant solid constitute of moderate-sized terrestrial planetary cores. Investigating the physical properties, especially the density and sound velocity of Fe-Ni alloys and comparing them with seismic observations is an indispensable approach to constructing compositional models for planetary interiors. In this study, we conducted sound velocity measurements on Fe-Ni alloys with 10 wt.% and 20 wt.% Ni up to ∼13.5 GPa and 1073 K, using the ultrasonic interferometry technique in a multi-anvil apparatus in conjunction with synchrotron radiation. By fitting the experimental data to finite strain equations, the bulk and shear moduli and their pressure and temperature derivatives are derived, yielding K S0 =145.8(14) GPa, G 0 = 73.2(7) GPa, K S0 ’ = 5.89(24), G 0 ’ = 2.89(8), (∂K S /∂T) P = -0.0181(12) GPa/K and (∂G/∂T) P = -0.0393(10) GPa/K for fcc-Fe 80 Ni 20 . An examination of the density-velocity relationship shows that compressional wave velocity is insensitive to temperature within the current pressure and temperature range, while shear wave velocity exhibits a large reduction with increasing temperature. Here, extrapolation of the sound velocities following the finite strain theories suggests that much slower Vs should be expected at pressure and temperature conditions corresponding to those of the lunar core. Possible core density and velocity profiles for other moderate planets and satellites, such as Mars, Mercury, and Ganymede are also calculated.

Equation of state↗
DOE OSTI2023

Effects of Aluminum and Molybdenum on the Phase Stability of Iron-Chromium Alloys: A First-Principles Study

The interaction between solute atoms is critical to the thermodynamic behavior of Fe-Cr alloys, but the effects of non-dilute Al and Mo on the Fe-Cr phase stability and vacancy formation energy are not clearly understood. In this study, density functional theory, cluster expansion, and Monte Carlo simulation are used to predict the effects of ternary solute elements on the thermodynamic properties in multicomponent Fe-Cr alloys. The machine learning regression approach is applied to train and construct energy models that accurately describe the complex chemical interactions. The computational outcomes include the prediction of the partial ternary phase diagram, mixing enthalpy, and vacancy formation energy for different compositions. The phase boundary calculation predicts a pronounced change of Cr solubility in bcc Fe by the addition of Al and the rejection of Al atoms from a’ precipitates. The mixing enthalpy calculation shows that Mo may also reduce the Cr solubility in bcc Fe. Additionally, the simulations show that non-dilute Cr decreases the vacancy formation energy in bcc Fe, while adding Al results in a less significant effect. Finally, the results demonstrate important applications of using machine learning energy models to study model or commercial alloys with multicomponent solute species and point defects.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bonding of vanadium- and Iron-based alloys as interlayers for plasma-facing and structural materials in fusion systems

Vanadium alloys and FeCrAl were investigated as interlayers between tungsten and reduced activation ferritic martensitic steel for fusion system components to avoid formation of intermetallic phase at operating temperatures between 550 and 1100 °C, while maintaining a body centered cubic phase throughout the interface. Physical and mechanical properties need to be graded between tungsten and steel, but recent results showed a significant hardness increase at the FeCrAl to vanadium alloy interface. Here, a sintered sample of these alloys was annealed for extended time, and the microstructure was investigated to provide a better understanding of the phenomena. A comparison with an additively manufactured interface of the same material is provided. An unexpected L2 1 intermetallic phase formation has been revealed using microscopy and synchrotron techniques and will inform future additive manufacturing approaches of the interface. A Cr layer interface as a preliminary solution was proposed between the Vanadium alloy and FeCrAl alloy interface.

Additive manufacturing↗
DOE OSTI2024

Carbonate-Metal Reactions in the Lower Mantle

Carbonates are important carbon-bearing phases in the mantle. While their role in upper mantle petrologic processes has been well studied, their effect on phase relations, melting, and transport properties in the lower mantle is less understood. The stability of carbonates in the mantle depends on a host of factors, including pressure, temperature, oxygen fugacity, and reactions with surrounding mantle phases. To understand the stability of carbonates in the presence of metal in the lower mantle, carbonate-metal reaction experiments on the Fe–Si–Ca–Mg–C–O system were conducted up to 124 GPa and 3200 K. We find that carbonates react with iron alloys to form silicates, iron carbides, and oxides. However, the temperature at which these reactions occur increases with pressure, indicating that along a geotherm in the lowermost mantle carbonates are the stable carbon-bearing phase. Carbon is found to be less siderophilic at high-pressure compared to silicon.

58 GEOSCIENCES↗
DOE OSTI2023

Influence of atomic ordering and cerium doping on magnetostrictive Fe-Al alloys

Magnetostrictive iron-aluminum alloys can be a low-cost, mechanically stable alternative to iron-gallium and rare earth-iron alloys. The magnetostrictive performance of polycrystalline Fe-Al (alfenol) with 13–24 at. % Al was investigated, studying the role of compositional variation and thermal history. It was found that rapid cooling enhances the magnetostrictive response, and peak magnetostriction was found in Fe 78 Al 22 by high temperature annealing followed by quenching. Synchrotron diffraction enabled a direct correlation of magnetostrictive behavior and the transition from short-range order to long-range ordered cluster domains in the material which can be suppressed by rapid cooling. Following recent success of doping Fe-Ga with rare earth elements, we investigated the influence of Ce doping on improving magnetostriction and found that Fe-Al shows negligible solubility for cerium, inhibiting potential magnetostriction enhancement. In conclusion, our results illustrate the complex interplay between phase stability, ordering, and optimized magnetostrictive response.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-modulus, high-strength, low alloy gray cast iron for cylinder liners and automotive applications

A high elastic modulus, high ultimate tensile strength, and low alloy gray cast iron for cylinder liners. The gray cast iron includes from 2.60 wt % to 3.30 wt % Carbon (C); from 1.50 wt % to 2.30 wt % Silicon (Si); from 0.30 wt % to 0.80 wt % Manganese (Mn); from 0.15 wt % to 0.35 wt % Phosphorus (P); from 0.05 wt % to 0.11 wt % Sulphur (S); from 0.60 wt % to 1.20 wt % Copper (Cu); from 0.10 wt % to 0.30 wt % Chromium (Cr); from greater than 0.0 wt % to 0.1 wt % Nickle (Ni); from 0.15 wt % to 0.40 wt % Molybdenum (Mo); and balance wt % Iron (Fe). The total wt % of Si, Mn, P, S, Cu, Cr, Ni, and Mo is less than about 4.10 wt %. The gray cast iron has a Carbon Equivalent (CE) from 3.00 wt % to 3.90 wt % and the product of Mn %*S % is from 0.025 to 0.045.

Yang, Jianghuai↗
DOE OSTI2024

Phase Transitions and Thermal Equation of State of Fe‐9wt.%Si Applied to the Moon and Mercury

Abstract Accurate knowledge of the phase transitions and thermoelastic properties of candidate iron alloys, such as Fe‐Si alloys, is essential for understanding the nature and dynamics of planetary cores. The phase diagrams of some Fe‐Si alloys between 1 atm and 16 GPa have been back‐extrapolated from higher pressures, but the resulting phase diagram of Fe 83.6 Si 16.4 (9 wt.% Si) is inconsistent with temperature‐induced changes in its electrical resistivity between 6 and 8 GPa. This study reports in situ synchrotron X‐ray diffraction (XRD) measurements on pre‐melted and powder Fe 83.6 Si 16.4 samples from ambient conditions to 60 GPa and 900 K using an externally heated diamond‐anvil cell. Upon compression at 300 K, the bcc phase persisted up to ∼38 GPa. The hcp phase appeared near 8 GPa in the pre‐melted sample, and near 17 GPa in the powder sample. The appearance of the hcp phase in the pre‐melted sample reconciles the reported changes in electrical resistivity of a similar sample, thus resolving the low‐pressure region of the phase diagram. The resulting high‐temperature Birch‐Murnaghan equation of state (EoS) and thermal EoS based on the Mie‐Gruneisen‐Debye model of the bcc and hcp structures are consistent with, and complement the literature data at higher pressures. The calculated densities based on the thermal EoS of Fe‐9wt.%Si indicate that both bcc and hcp phases agree with the reported core density estimates for the Moon and Mercury.

Berrada, Meryem↗
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 OSTI2024

Liquid Structure of Iron and Iron–Nitrogen–Carbon Alloys Within the Cores of Small Terrestrial Bodies

Abstract Nitrogen has been proposed to be stored within planetary cores, but its effects on the structure and density of molten Fe–alloys have not been explored experimentally. Using energy‐dispersive X‐ray diffraction, we determined the structure of Fe–N(–C) liquids at core conditions (1–7 GPa and 1700–1900°C) within a Paris‐Edinburgh press. Variation of N up to 7 wt.% and C up to 1.5 wt.% results in near‐linear changes in Fe–Fe atom distances and structure factor with increasing light element content. We did not observe a significant pressure‐driven structural transition in Fe–N(–C) liquids. We model the expansion of the Fe–Fe bonds using a modified Birch‐Murnaghan equation of state. With this model, we demonstrate that N or C contamination could lead to an overestimation of the Fe–Fe distances of pure Fe. We observe that the incorporation of 1 wt.% N or C into Fe results in a change in Fe–Fe distances that is twice as significant as the effect of 1 GPa. By approximating the change in volume, we infer that N and C incorporated in liquid iron could contribute to the density deficit observed in the cores of terrestrial bodies.

Pease, Allison [Department of Earth and Environmen↗
DOE OSTI2024

Hydrogen permeation in iron-chromium-aluminum (FeCrAl) alloys and the effects of microstructure and surface oxide

Iron–chromium–aluminum (FeCrAl) class alloys are candidates for use as cladding for accident-tolerant fuels and moderators. In this context, hydrogen isotope permeation in FeCrAl alloys is an important material property. Here, in the present work, the apparent permeability, effective diffusivity, and apparent solubility of hydrogen in the FeCrAl alloys C26M and Kanthal D (KD) were measured with gas-driven hydrogen permeation. Permeation measurements were conducted at temperatures of 400 to 700 °C and at gas-driven pressures from 1 to 100 kPa. In particular, the effect of grain size on hydrogen transport was studied with KD samples with three different microstructures: nanocrystalline (NC), ultra-fine grained (UFG), and coarse-grained (CG). The UFG and NC specimens had higher apparent activation energies (73.4 kJ mol -1 and 65.2 kJ mol -1 , respectively) for hydrogen permeability than the CG sample (46.9 kJ mol -1 ). An aluminum oxide layer formed on the primary- and secondary-side surfaces of all samples subjected to permeation experiments which demonstrated the propensity of FeCrAl alloys to form these innate oxide permeation barriers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Micromechanical aspects of deformation and failure of advanced Iron-Chromium-Aluminum alloys

Here this work investigates the micromechanical deformation and failure mechanisms of advanced FeCrAl alloys developed for use in nuclear reactors as cladding material. Three different FeCrAl alloys (82-X)Fe-13Cr-5Al-X (X=Nb, TiC, 0 for base alloy) were investigated both in their as-received and welded states. In-situ neutron diffraction with simultaneous digital image correlation was used to determine micromechanical deformation mechanisms not only as a function of elemental composition but also as a condition of state (as-received vs. welded). Ex-situ X-ray computed tomography was used on as-deformed samples to help determine the failure mechanisms and void initiation strains.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced toughness and tear resistance of thin-walled High-Pressure Die-Cast aluminum alloys through Friction stir processing

In this study, we investigate the toughness and resistance to tear of thin-wall high-pressure die-cast (HPDC) aluminum alloys in two different orientations following the implementation of friction stir processing (FSP). The FSP technique was applied to two different HPDC Al-Si alloys: the recyclable-grade, high iron, A380 alloy and the premium-quality, low iron, Aural-5 alloy. Our findings reveal significant tear resistance and strength enhancements for both alloys after FSP modification. Specifically, FSPed A380 alloy requires 126% higher energy to tear, and it has 49% higher tear strength than the HPDC counterpart. Similarly, the tear energy and tear strength of the Aural-5 alloy witness enhancements of 69% and 21%, respectively. In conclusion, these results highlight the potential of FSP as a viable method for augmenting the mechanical properties of HPDC aluminum alloys, thereby opening up new avenues for their utilization in diverse engineering applications for crack obstruction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Prioritization of Existing Reactor Materials

The Advanced Materials and Manufacturing Technologies (AMMT) Program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation, including machine learning and artificial intelligence, will be employed. Although 316H (Fe–[16–18]Cr–[10–14]Ni–[2–3]Mo–[0.04–0.1]C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach because of its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovative, high-performance nuclear components. Argonne National Laboratory (ANL), Idaho National Laboratory (INL), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL) are collaborating on identifying the most promising alloy candidates relevant for the AMMT Program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Because of the broad range of potential candidate alloys, ORNL and INL focused on nickel-based alloys, and ANL and PNNL mainly evaluated iron-based alloys. PNNL previously published material scorecards reports on several key alloys, and this report provides a broader overview of iron- and nickel-based candidate alloys, expending beyond alloys well-known to the nuclear community.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Large exotic spin torques in antiferromagnetic iron rhodium.

Spin torque is a promising tool for driving magnetization dynamics for computing technologies. These torques can be easily produced by spin-orbit effects, but for most conventional spin source materials, a high degree of crystal symmetry limits the geometry of the spin torques produced. Magnetic ordering is one way to reduce the symmetry of a material and allow exotic torques, and antiferromagnets are particularly promising because they are robust against external fields. We present spin torque ferromagnetic resonance (ST-FMR) measurements and second harmonic Hall measurements characterizing the spin torques in anti -ferromagnetic iron rhodium alloy. We report extremely large, strongly temperature-dependent exotic spin torques with a geometry apparently defined by the magnetic ordering direction. We find the spin torque efficiency of iron rhodium to be (207 +/- 94)% at 170 K and (88 +/- 32)% at room temperature. We support our conclusions with theoretical calculations showing how the antiferromagnetic ordering in iron rhodium gives rise to such exotic torques.

Gibbons, Jonathan↗