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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
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 OSTI2021

Engineering new limits to magnetostriction through metastability in iron-gallium alloys

Magnetostrictive materials transduce magnetic and mechanical energies and when combined with piezoelectric elements, evoke magnetoelectric transduction for high-sensitivity magnetic field sensors and energy-efficient beyond-CMOS technologies. The dearth of ductile, rare-earth-free materials with high magnetostrictive coefficients motivates the discovery of superior materials. Fe 1- x Ga x alloys are amongst the highest performing rare-earth-free magnetostrictive materials; however, magnetostriction becomes sharply suppressed beyond x = 19% due to the formation of a parasitic ordered intermetallic phase. Here, we harness epitaxy to extend the stability of the BCC Fe 1- x Ga x alloy to gallium compositions as high as x = 30% and in so doing dramatically boost the magnetostriction by as much as 10x relative to the bulk and 2x larger than canonical rare-earth based magnetostrictors. A Fe 1- x Ga x - [Pb(Mg 1/3 Nb 2/3 )O 3 ] 0.7 -[PbTiO 3 ] 0.3 (PMN-PT) composite magnetoelectric shows robust 90° electrical switching of magnetic anisotropy and a converse magnetoelectric coefficient of 2.0 × 10 -5 s m -1 . When optimally scaled, this high coefficient implies stable switching at ~80 aJ per bit.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling of non-equilibrium partitioning in direct metal deposited copper–iron concentrated alloys

The direct metal deposition (DMD) additive manufacturing process produces high cooling rates within a small melt pool and can lead to high amounts of solute trapping. These high cooling rates limit diffusion and lead to the formation of non-equilibrium phases. In this work, we utilize a numerical model to calculate the degree of solute trapping, defined as non-equilibrium partitioning. A theoretical case with overall composition fixed to 50Cu-50Fe at.%. was performed to observe the influence of increasing solidification rates. We then simulate DMD of equimolar Cu-Fe powder printed on mild steel substrate and the calculated non-equilibrium phase compositions were consistent with experimental observations reported earlier on this alloy composition. For a single deposited track, cooling rates are high enough to yield significant solute trapping. Here, the degree of solute trapping is highest near the free surface and has a gradient that correlates with the cooling rate gradient.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Normal evaporation of binary alloys

In the study of normal evaporation, it is assumed that the evaporating alloy is homogeneous, that the vapor is instantly removed, and that the alloy follows Raoult's law. The differential equation of normal evaporation relating the evaporating time to the final solute concentration is given and solved for several important special cases. Uses of the derived equations are exemplified with a Ni-Al alloy and some binary iron alloys. The accuracy of the predicted results are checked by analyses of actual experimental data on Fe-Ni and Ni-Cr alloys evaporated at 1600 C, and also on the vacuum purification of beryllium. These analyses suggest that the normal evaporation equations presented here give satisfactory results that are accurate to within an order of magnitude of the correct values, even for some highly concentrated solutions. Limited diffusion and the resultant surface solute depletion or enrichment appear important in the extension of this normal evaporation approach.

Li, C. H.↗
NASA NTRS1977

Tantalum modified ferritic iron base alloys

Strong ferritic alloys of the Fe-CR-Al type containing 0.4% to 2% tantalum were developed. These alloys have improved fabricability without sacrificing high temperature strength and oxidation resistance in the 800 C (1475 F) to 1040 C (1900 F) range.

Oldrieve, R. E.↗
NASA NTRS1984

Phosphoran pyroxene and olivine in silicate inclusions in natural iron-carbon alloy, Disko Island, Greenland

A survey of literature data on the P contents of olivine, pyroxene, and garnet in mantle xenoliths and the bulk P contents of mantle xenoliths shows that available data is ambiguous as to whether mantle P is primarily contained in silicates or in phosphates, even though phosphates are rarely observed in mantle xenoliths. Garnet probably contains more of the mantle's P than olivine or pyroxene. Bulk P contents of mantle xenoliths vary significantly. Estimation of the primitive mantle P content from xenoliths requires interpretation of the partial melting and contamination histories of the xenoliths.

Goodrich, C. A.↗
NASA NTRS1986

Advanced thermal barrier system bond coatings for use on nickel-, cobalt- and iron-base alloy substrates

New and improved Ni-, Co-, and Fe-base bond coatings have been identified for the ZrO2-Y2O3 thermal barrier coatings to be used on Ni-, Co-, and Fe-base alloy substrates. These bond coatings were evaluated in a cyclic furnace between 1120 and 1175 C. It was found that MCrAlYb (where M = Ni, Co, or Fe) bond coating thermal barrier systems have significantly longer lives than MCrAlY bond coating thermal barrier systems. The longest life was obtained with the FeCrAlYb thermal barrier system followed by NiCrAlYb and CoCrAlYb thermal barrier systems in that order.

Stecura, S.↗