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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Intermetallics as alternative materials

Aluminum containing intermetallics have B2 cubic crystal structures, exist over a wide range of composition, have large solubilities for third element alloying additions, are capable of both low and high temperature plastic flow, and have very high melting temperatures (approximately 1900 K) except for FeAl. The slow strain rate elevated temperature properties of Fe, Ni, and Co aluminides are investigated. Because of the reported difficulties with traditional melting/casting methods, sound polycrystalling materials are fabricated by hot extrusion of steel canned blended prealloyed powders. These binary aluminides are used to develop base line elevated temperature mechanical properties as well as an understanding of the factors which affect/control the strength and ductility.

Whittenberger, J. D.↗
NASA NTRS1976

Effect of minor reactive metal additions on fracture toughness of iron: 12-percent nickel alloy at-196 deg and 25 deg C

The slow bend precracked Charpy fracture toughness and tensile behavior of arc-melted and hot-rolled Fe-12Ni alloys containing up to 4 atomic percent reactive metal additions were determined at -196 C and 25 C after water quenching from three annealing temperatures. The fracture toughness of Fe-12Ni at -196 C was improved by small amounts of Al, Ce, Hf, La, Nb, Ta, Ti, V, Y, and Zr, but not by Si. Cryogenic toughness was improved up to 7.5 times that of binary Fe-12Ni and varied with the reactive metal, its concentration, and the annealing temperature.

Witzke, W. R.↗
DOE OSTI2022

Energy and mechanical properties predictions in Fe-Ni binary system by ab initio calculations

Here, the fcc random solid solutions in Fe-Ni binary system were investigated using ab initio calculations. Density functional theory (DFT) was applied along with supercells generated by the Special Quasi-Random Structure (SQS) method to predict the enthalpy of mixing and magnetic and elastic properties. The results were compared with relevant experimental and computational data produced by other groups. The effect of SQS supercell size and relaxation procedure on the predicted properties of the alloys were also studied. Our calculations show that 16-atoms SQS model provides adequate approach to the mixing energy of the alloy. However, calculation of mechanical properties requires larger supercell. Excellent agreement between experimental and calculated elastic properties was found in fcc region of Fe-Ni system.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Fluoride salts and container materials for thermal energy storage applications in the temperature range 973 to 1400 K

Multicomponent fluoride salt mixtures were characterized for use as latent heat of fusion heat storage materials in advanced solar dynamic space power systems with operating temperatures in the range of 973 to 1400 K. The melting points and eutectic composition for many systems with published phase diagrams were verified, and several new eutectic compositions were identified. Additionally, the heats of fusion of several binary and ternary eutectics and congruently melting intermediate compounds were measured by differential scanning calorimetry. The extent of corrosion of various metals by fluoride melts was estimated from thermodynamic considerations, and equilibrium conditions inside a containment vessel were calculated as functions of the initial moisture content of the salt and free volume above the molten salt. Preliminary experimental data on the corrosion of commercial, high-temperature alloys in LiF-19.5CaF2 and NaF-27CaF2-36MgF2 melts are presented and compared to the thermodynamic predictions.

Misra, Ajay K.↗
NASA NTRS1987

Fluoride salts and container materials for thermal energy storage applications in the temperature range 973 - 1400 K

Multicomponent fluoride salt mixtures were characterized for use as latent heat of fusion heat storage materials in advanced solar dynamic space power systems with operating temperatures in the range of 973 to 1400 K. The melting points and eutectic composition for many systems with published phase diagrams were verified, and several new eutectic compositions were identified. Additionally, the heats of fusion of several binary and ternary eutectics and congruently melting intermediate compounds were measured by differential scanning calorimetry. The extent of corrosion of various metals by fluoride melts was estimated from thermodynamic considerations, and equilibrium conditions inside a containment vessel were calculated as functions of the initial moisture content of the salt and free volume above the molten salt. Preliminary experimental data on the corrosion of commercial, high-temperature alloys in LiF-19.5CaF2 and NaF-27CaF2-36MgF2 melts are presented and compared to the thermodynamic predictions.

Misra, Ajay K.↗
DOE OSTI2024

Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations

Throughout this work, a database for the Cr-Ni-V system was constructed by modeling the binary Cr-V and ternary Cr-Ni-V systems using the CALPHAD approach aided by density functional theory (DFT)-based first-principles calculations and ab initio molecular dynamics (AIMD) simulations. To validate this new database, a functionally graded material (FGM) using Ni-20Cr and elemental V was fabricated using directed energy deposition additive manufacturing (DED AM) and experimentally characterized. The deposited Ni-20Cr was pure fcc phase, while increasing the amount of V across the gradient resulted in the formation of sigma phase, followed by the bcc phase. The experimentally measured phase data was compared with computational predictions made using a Cr-Ni-V thermodynamic database from the literature as well as the database developed in the present work. The newly developed database was shown to better predict the experimentally observed phases due to its accurate modeling of binary systems within the database and the ternary liquid phase, which is critical for accurate Scheil calculations.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Experimental and Theoretical Studies of Wetting and Multilayer Adsorption

The recent work with partially miscible binary liquid mixtures has established that the structure of the liquid-vapor interface can undergo a first-order phase transition from incomplete to complete wetting of the vapor as the temperature is raised. A discontinuity in the change of interfacial tension as a function of temperature at the phase transition has been predicted to occur in many systems and to play an important role in the growth of uniform composites from alloy melts at monotectic points. These measurements are the first to establish the order of the transition. Studies of capillary rise in SF6 in a unique interferometer have led to the first measurements of the thickness of wetting layers (or equivalently, multilayer adsorbed films) on a solid surface near a liquid-vapor critical point. Instabilities in wetting layers were observed. A theory for the instabilities is being developed and will be checked by both static and dynamic optical experiments. The effect of gravity on the apparent thickness of interfaces (as measured by ellipsometry) is under study.

Moldover, M. R.↗
NASA NTRS1993

Reaction of YBa2Cu3O(7-beta) with Gold, Silver, Bismuth and Lead: Substitution Chemistry and Composite Fabrication

The reaction of YBa2Cu3O(7-beta) with Au, Ag, Bi, and Ph ions or metal is described. Three types of materials were produced: a well-defined series of homogeneous superconductors was obtained for Au ion substitution with little effect on T(sub c); attempted Ag and Bi ion substitution resulted in multi-phase samples with slightly enhanced T(sub c); finally, attempts to produce superconducting metal/superconducting ceramic composites with Pb and Bi powders resulted in multi-phase samples with drastically diminished superconducting properties. For Au- substituted superconductors, YBa2(Cu(l-x)Au(x))3O(7-beta), a substitution series (x = 0 - 0.1) has been synthesized. For x = 0.1 there was no change in the a and b lattice parameters (a = 3.826 A and b = 3.889 A) but a 0.06 A c axis expansion to 11.75 A was observed. The valence of Cu and Au in YBa2Au(0.3)Cu(2.7)O(7-beta) was investigated using X-ray Absorption Near-Edge Structure (XANES). X-ray studies indicate that Au goes into the Cu(l) site and Cu K edge XANES shows that this has little effect on the oxidation state of the remaining copper. A small effect on T(sub c) is observed (T(sub c) = 89 K for x = 0.10). Ag and Bi addition results in a rise in T(sub c) and a decrease in (delta)T(sub c) at low levels (x = 0.10 Ag, T(sub c) = 94 K and (delta)T(sub c) = 0.5 K; x = 0.02 Bi, T(sub c) = 94 K and (delta)T(sub c) = 1K) relative to typical values for YBa2Cu3O(7-beta) (T(sub c) = 91 K, (delta)T(sub c) = 2 K). Attempts at fabrication of Pb- and Pb(1-x)Bi(x)-superconductor composites are described. Cold pressing followed by low temperature (200 C) sintering resulted in a composite which excluded flux below 90 K but did not show zero electrical resistance until the metal (alloy) superconducting transition. X-ray diffraction showed the presence of pervoskite and metal. Processing at moderate (450 C) or high (950 C) temperatures resulted in oxygen-depleted pervoskite and/or metal oxides. These materials displayed greatly degraded superconducting properties. Processing at 800 C resulted in high T(sub c) only for composites containing greater than 90% weight fraction ceramic. Reaction of metal with YBa2Cu3O(7-beta) formed superconducting lead/bismuth-based oxides and other binary oxides.

Hepp, Aloysius F.↗
NASA NTRS1990

Coarsening in binary solid-liquid mixtures

A theory of Ostwald ripening has been developed for a solid-liquid mixture cosisting of a low volume fraction array of spherical solid particles in a liquid wherein the coarsening process proceeds via the transport of both heat and mass. It is found that the simultaneous transport of heat and mass during ripening does not alter the exponents of the temporal power laws governing the ripening process from their classical values but does alter the amplitudes of these power laws. The growth rate of the cube of the average particle radius, the rate constant, is found to depend both on the alloy solute concentration and the ratio of the thermal to solutal diffusivities. In most metallic systems, a large decrease in the rate constant can be expected with small additions of solute to a pure metal. Possible extensions of this theory to the analogous problem of ripening in isothermal ternary alloys are also discussed.

Voorhees, P. W.↗
DOE OSTI2025

In-Situ Synchrotron X-Ray Diffraction of Ultrasonic Microstructural Refinement During Solidification in a Commercial Al–Si–Mg Alloy

This study reports the first use of in-situ synchrotron X-ray diffraction (SXRD) to study the effects of ultrasonic melt processing (USMP) on phase and grain size evolution during solidification in a commercial Al–Si–Mg casting alloy. USMP is a technique that, when applied to aluminum as it solidifies, can be used to refine the local microstructure of large-scale castings. Analysis of the in-situ SXRD data to estimate the average grain size of primary α-Al grains during USMP demonstrates that USMP slows the growth rate of α-Al grains and reduces grain size by 36 pct. Furthermore, there is also evidence that USMP causes the primary α-Al grains to move relative to the X-ray beam; such motion increases the probability of primary α-Al grains colliding and fragmenting. This movement becomes constrained at the onset of the Al–Si binary eutectic, suggesting that USMP ceases to effectively refine the microstructure once the Al–Si binary eutectic begins to form. Complementary laboratory-scale X-ray diffraction (XRD) data were used to correlate the lattice parameters of the α-Al and Si (D-A4) phases with temperature to estimate cooling rate during solidification. Thus, this study can guide the design of novel castings with spatially distributed fine-grained regions produced using local ultrasonic processing.

Aluminum Alloys↗
DOE OSTI2024

Heterogeneous Morphologies and Hardness of Co-Sputtered Thin Films of Concentrated Cu-Mo-W Alloys

Heterogeneous microstructures in Cu-Mo-W alloy thin films formed by magnetron co-sputtering immiscible elements with concentrated compositions are characterized using scanning transmission electron microscopy (STEM) and nanoindentation. In this work, we modified the phase separated structure of a Cu-Mo immiscible system by adding W, which impedes surface diffusion during film growth. The heterogeneous microstructures in the Cu-Mo-W ternary system exhibited bicontinuous matrices and agglomerates composed of Mo(W)-rich phase. This is unique, as these are the slower-diffusing species, contrasting past reports of binary Cu-Mo thin films that exhibited Cu-rich agglomerates. The bicontinuous matrices comprised of Cu-rich and Mo(W)-rich phases exhibited bilayer thicknesses of less than 5 nm. The hardness of these thin films measured using nanoindentation is reported and compared to similar multilayers and nanocomposites in binary systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural Coarsening Kinetics and Mechanical Property Changes in Long-Term Aged Sn–Pb–Sb Solder Joints

Tin-lead-antimony (50Sn–47Pb–3Sb wt.%) soldered assemblies were mechanically tested approximately 30 years after initial production and found to have solder joints of reduced strength. The microstructure of this solder alloy exhibits a ternary eutectic structure with Sn-rich, Pb-rich, and SnSb phases. Accelerated aging was performed to evaluate solder microstructural coarsening and associated strength of laboratory solder joints to correlate these properties to the “naturally aged” solder joints. Isothermal aging was conducted at room temperature, 55, 70, 100, and 135 °C and aging times that ranged from 0.1 to 365 days. The coarsening kinetics of the Pb-rich phase were determined through optical microscopy and image analysis methods established in previous studies on binary Sn–Pb solder. A kinetic equation was developed with time exponent n of 0.43 and activation energy of 24000 J/mol, suggesting grain boundary diffusion or other fast diffusion pathways controlling the microstructural evolution. Compression testing and Vickers microhardness showed significant strength loss within the first 20–30 days after soldering; then, the microstructure and mechanical properties changed more slowly over long periods of time. Further, by combining accelerated aging data and the microstructure-based kinetics, strength predictions were made that match well with the properties of the actual soldered assemblies naturally aged for 30 years. However, aging at the highest temperature of 135 °C produced anomalous behavior suggesting that extraneous aging mechanisms are active. Therefore, data obtained at this temperature or higher should not be used. Overall, the combined microstructural and mechanical property methods used in this study confirmed that the observed reduction in strength of ~ 30-year-old solder joints can be accounted for by the microstructural coarsening that takes place during long-term solid-state aging.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High throughput discovery of ternary Cu-Fe-Ru alloy catalysts for photo-driven hydrogen production

Light driven hydrogen production from the water splitting reaction has the ability to reduce dependence on fossil fuels in a green energy future. Here, we highlight the discovery of Cu x Ru y Fe 1-x-y nanoparticle catalysts for photo-driven hydrogen production. Through a high throughput experimental setup, robust data management pipelines and intentional experimental design, this study uncovered three highly active bimetallic systems for photo-driven hydrogen and identified a new trimetallic catalyst for this system. In most cases, the multimetallic catalysts outperformed the monometallics. Furthermore, this study highlights the expansive catalytic screening capabilities of this system in contrast to traditional catalytic selection processes through the discovery of distributions of particle compositions in binary and ternary mixtures of metals with high activity for hydrogen evolution.

08 HYDROGEN↗
NASA NTRS2007

Solidification Behavior of gamma'-Ni3Al Containing Alloys in the Ni-Al-O System

The chemical activities of Al and Ni in gamma(prime)-Ni3Al-containing systems were measured using the multi-cell Knudsen effusion-cell mass spectrometry technique (multi-cell KEMS), over the composition range 8 - 32 at.%Al and temperature range T = 1400 - 1750 K. From these measurements a better understanding of the equilibrium solidification behaviour of gamma(prime)-Ni3Al-containing alloys in the Ni-Al-O system was established. Specifically, these measurements revealed that (1) gamma(prime)-Ni3Al forms via the peritectiod reaction, gamma + Beta (+ A12O3) = gamma (prime) (+ Al2O3), at 1633 +/- 1 K, (2) the {gamma + Beta + Al2O3} phase field is stable over the temperature range 1633 through 1640 K, and (3) equilibrium solidification occurs by the eutectic reaction, L (+ Al2O3) = gamma + Beta (+ Al2O3), at 1640 +/- 1 K and a liquid composition of 24.8 +/- 0.2 at.%Al (at an unknown oxygen content). When projected onto the Ni-Al binary, this behaviour is inconsistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady-state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma(prime)-Ni3Al phase field.

Copland, Evan↗
DOE OSTI2024

From phase decomposition to evaporation: A multi-modal evaluation of thermally degraded model lightweight high-entropy alloy

Lightweight high-entropy alloys (LHEAs) have the potential to replace conventional lightweight materials due to their superior mechanical properties and thermal stability. However, the thermal degradation pattern of LHEAs from phase decomposition to evaporation is not clear. We develop a new Al-based dual phase (FCC + HCP) LHEA—AlTi 0.45 CuZn, and further investigate its thermal degradation behavior for potential high-temperature structural applications. Using multimodal advanced characterization techniques such as differential scanning calorimetry/thermogravimetric analysis, scanning/transmission electron microscopy, and synchrotron X-ray diffraction/pair distribution function (XRD/PDF), a sequence of thermal degradation events beyond the thermal phase stability limit—between 250 and 360 °C—is observed. These include phase decomposition at ~360 °C, Zn evaporation at ~750 °C, and LHEA melting at 880 °C which results in ~25% cumulative weight loss. The formation of Al-Ti phase off the AlTi 0.45 CuZn matrix is due to the largest negative mixing enthalpy for Al-Ti than other binary pairs. Similarly, Zn evaporation from AlTi 0.45 CuZn LHEA is due to its faster evaporation rate than other constituent elements. The high-resolution synchrotron XRD and PDF results support the aforementioned observations; in addition, they reveal local atomic arrangements, local strain, and sluggish grain growth in the LHEA. Among other LHEAs of close density range (5.55 ≤ ρ ≤ 5.85 g/cc), the investigated LHEA exhibits outstanding nano-indentation hardness values due to the coupled grain size effect and HCP phase strengthening of the FCC matrix. As the search for LHEAs for lightweight applications grows, this study shows the potential use of AlTi 0.45 CuZn LHEA for structural applications even at elevated temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1983

Homogeneous crystal nucleation in binary metallic melts

A method for calculating the homogeneous crystal nucleation frequency in binary metallic melts is developed. The free energy of crystallization is derived from regular solution models for the liquid and solid and is used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency from the classical theory. The method can account for the composition dependence of the maximum undercooling observed in a number of experiments on small droplet dispersions. It can also be used to calculate the driving force for crystal growth and to obtain more precise estimates of the homogeneous crystal nucleation frequency in glass-forming alloys. This method, although approximate, is simple to apply, and requires only knowledge of the phase diagram and a few readily available thermodynamic quantities as input data.

Thompson, C. V.↗