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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 1,153 records · Page 64
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DOE OSTI2019

The Effect of Weld Metal Composition on Microstructural and Mechanical Properties of Dissimilar Welds Between Monel 400 and Inconel 600

The current work was carried out to characterize welding of Inconel 600 superalloy and Monel 400. In the present study, gas tungsten arc welding (GTAW) with four types of filler metals (ENiCu, ENiCu-7, ENiCr-3 and ENiCrFe-3) was utilized. The filler metals were categorized into two groups based on the presence of Cr and Nb in their chemical composition. This paper describes the selection and application of welding consumables in manufacturing dissimilar metal combinations. It was found that (Nb/Cr) ratio and Fe content can affect on the size and amount of carbides. During solidification of ENiCr-3 and ENiCrFe-3 filler metals, Nb leaves dendritic cores and is rejected to inter-dendritic regions because of its high tendency for segregation. However, No brittle Laves phase was detected in the welds. The interface between weld metal and base metal and gradual changes in alloying elements were also investigated by scanning electron microscopy. EDX analysis was also applied for different samples. Microhardness measurements and tensile test were performed on the joints. The average hardness value in the weld metal obtained from ENiCrFe-3 is higher than the other welds. ENiCu-7 weld exhibited the highest tensile strength of 540 MPa and percent elongation of 53% in contrast to ENiCrFe-3 weld with the lowest tensile strength (518 MPa) and percent elongation (39%).

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Solutionizing Time on Improving the Microstructure and Mechanical Properties of Aged AZ80 Mg Alloy

The effects of solutionizing soak time and aging on the microstructure and mechanical properties of cast AZ80 Mg alloy were investigated. Optical microscopy, scanning electron microscopy and x-ray diffraction revealed the dissolution of β-Mg{sub 17}Al{sub 12} phase in the solution-treated samples which was later detected in the aged condition. Solution treatments at 420 °C for 4-16 h with water quenching followed by aging at 200 °C for 10 h were carried out, causing discontinuous precipitates to be formed with different precipitate morphologies at the various soak times. The discontinuous precipitates were observed to transform from the interdendritic segregation to parallel lamellae with increasing soak time to 8-10 h. As the soak time increased to 16 h, parallel lamellae transformed into tree-like precipitate morphology. The results showed significant changes in the interlamellar spacing at different soak times, and such precipitate morphology could influence the microstructure and mechanical properties after the aging process. A good combination of strength and ductility was obtained when the cast AZ80 Mg alloy was solution-treated at 420 °C for 10 h and aged at 200 °C for 10 h. Compared to the as-cast condition, a significant increase in ultimate tensile strength (50%), yield strength (47%) and elongation (43%) were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Investigation of Corrosion of 304 Stainless, Inconel 625, and Haynes 230 in a Chloride-Salt-Based Thermal Storage Medium

One of the critical challenges for latent heat thermal energy storage systems in concentrating solar power applications is corrosion of metallic alloys as containment and heat transfer fluid tube materials in corrosive salts at high temperatures. In this study, the effects of MgCl 2 on the corrosion of stainless steel 304, Inconel 625, and Haynes 230 alloys were investigated through embedded metal samples in the graphite foam/MgCl 2 storage medium. Four experimental testing modules were fabricated, and experimental tests were conducted under controlled environment by heating the testing modules to and keeping them at 750 °C for 100, 200, 500, and 1000 h. The estimated corrosion rates based on the weight losses for stainless steel 304, Inconel 625, and Haynes 230 were 94, 9, and 8 μm/year, respectively. The fitted equations for the loss of the thickness as functions of the exposure time show that the corrosion rates decrease with the exposure time. Additionally, the results on the corrosion zones or depths and chromium segregation ranges of the experimental samples are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Long-Term Creep Behavior of a CoCrFeNi Medium-Entropy Alloy

We report that current research shows that high-entropy alloys (HEAs) can offer superior oxidation resistance compared to more traditional austenitic stainless steels with equivalent tensile mechanical performance. While many reports have been published on creep of CoCrFeNiMn, few focus on the CoCrFeNi family of low to medium entropy alloys. In this manuscript, uniaxial tensile creep test results for more than 46,000 accumulated hours are presented on the equiatomic CoCrFeNi alloy. The alloy was manufactured at NETL using a vacuum induction melt solidification approach with a computationally designed homogenization cycle. After completing the homogenization cycle, the ingot was first hot forged and then hot rolled into 10 mm thick plate, a product form that is relevant to many industries. Creep tests were performed in the temperature range of 600-650 °C using applied stresses from 120 to 189 MPa. This study builds upon previous results on the CoCrFeNiMn family of high-entropy alloys and offers a modicum of clarification about performance compared to small button melts by using ASTM standard test procedures and mechanical test specimens. The apparent creep activation energy and creep stress exponent were similar to those for CoCrFe medium-entropy and CoCrFeNiMn high-entropy alloys. The post-test creep microstructure showed some Cr segregation, which has also been noted for other CoCrFe alloys. The CoCrFeNi alloy also presents a double minimum or two minimum creep rate phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Effect of CO 2 Pressure on Chromia Scale Microstructure at 750°C

To understand and model performance in supercritical CO 2 (sCO 2 ) for high-efficiency, concentrating solar power (CSP) and fossil energy power cycles, reaction rates are compared at 750°C in 0.1 MPa CO 2 and 30 MPa sCO 2 as well as laboratory air as a baseline on structural materials such as Ni-based alloy 625. Due to the thin reaction products formed even after 5000 h, scanning transmission electron microscopy was used to study the Cr-rich surface oxide scale. The scales formed in CO 2 and sCO 2 had a much finer grain size with more voids observed in CO 2 . However, the observations on alloy 625 were complicated by Mo and Nb-rich precipitates in the adjacent substrate and Al internal oxidation. To simplify the system, a binary Ni-22Cr alloy was exposed for 1000 h in similar environments. After exposure in sCO 2 , there was an indication of carbon segregation detected on the Cr 2 O 3 grain boundaries. After exposure in air, metallic Ni precipitates were observed in the scale that were not observed in the scale formed on alloy 625. The scale formed in air on a second Ni-22Cr model alloy with Mn and Si additions did not contain Ni precipitates, suggesting caution when drawing conclusions from model alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigation of Chemical Species in the Corrosion Barrier Layer on Thermal CO 2 Treated AZ91D Magnesium Alloy with Lithium Nitrate

A unique corrosion barrier layer, formed by thermal CO 2 treatment with LiNO 3 on AZ91D, was characterized to reveal the chemical species and their spatial distribution using the combination of scanning transmission electron microscopy (STEM), energy dispersive spectroscopy (EDS), and electron energy loss spectroscopy (EELS) techniques. Two distinct and spatially segregated phases were identified as Li compound(s) with MgCO 3 and MgO in the surface barrier layer. Finally, based on the characterization results, it is presumed that the reaction of Mg oxide/hydroxide with LiNO 3 and CO 2 occurred preferentially in some local areas where Li compound(s) with MgCO 3 were present, but the unreacted areas contained MgO in the surface barrier layer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tuning the melting point and phase stability of rare-earth oxides to facilitate their crystal growth from the melt

The challenge of growing rare-earth (RE) sesquioxide crystals can be overcome by tailoring their structural stability and melting point via composition engineering. This work contributes to the advancement of the field of crystal growth of high-entropy oxides. A compound with only small REs (Lu,Y,Ho,Yb,Er) 2 O 3 maintains a cubic C-type structure upon cooling from the melt, as observed via in-situ high-temperature neutron diffraction on aerodynamically levitated samples. On the other hand, a compound with a mixture of small and large REs (Lu,Y,Ho,Nd,La) 2 O 3 crystallizes as a mixture of a primary C-type phase with an unstable secondary phase. Crystals of compositions (Lu,Y,Ho,Nd,La) 2 O 3 and (Lu,Y,Gd,Nd,La) 2 O 3 were grown by the micro-pulling-down (mPD) method with a single monoclinic B-type phase, while a powder of (Lu,Y,Ho,Yb,Er) 2 O 3 did not melt at the maximum operating temperature of an iridium-rhenium crucible. The minimization of the melting point of the two grown crystals is attributed to the mismatch in cation sizes. The electron probe microanalysis reveals that the general element segregation behavior in the crystals depends on the composition.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Quantitative assessment of carbon allocation anomalies in low temperature bainite

Low temperature bainite is a mixture of ferrite and austenite with a high dislocation density and nanoscale precipitates produced by isothermal transformation of the austenite in high-carbon high-silicon steels. The mass balance for carbon is systematically unsuitable when considering only ferrite and austenite forming the structure, but no attempt has been made to evaluate the amount of carbon located at linear defects and precipitates. Additionally, bainitic ferrite has been recently shown to have a tetragonal crystal structure, allowing greater amounts of carbon in solid solution than those expected by the paraequilibrium phase boundaries. In order to quantify the contribution of all the carbon sinks, we have followed the evolution of carbon in ferrite and austenite, along with the precipitation of cementite and η–carbide, during the isothermal bainitic transformation at 220 and 250 °C by means of in-situ synchrotron high energy X-ray diffraction and complementary transmission electron microscopy (TEM) and atom probe tomography (APT) analyses. Furthermore, this is the first time that the mass balance for carbon is successfully achieved by considering all the transformation products together with an estimation of the carbon segregated to linear defects.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Energetics of native defects, solute partitioning, and interfacial energy of Q precipitate in Al-Cu-Mg-Si alloys

The compound Al 3 Cu 2 Mg 9 Si 7 , is known as the Q-phase and forms as a thermodynamically stable precipitate during aging in the quaternary Al-Cu-Mg-Si system. We perform atomic-scale density functional theory (DFT) calculations of defect properties, solute partitioning, and interfacial stability of the Al 3 Cu 2 Mg 9 Si 7 (Q) precipitate. We find: (i) simple native point defect (i.e., vacancies and anti-sites) thermodynamics can partially explain the experimentally observed off-stoichiometry, such as the observed variation of compositions, Al 3+δ Cu 2 Mg 9-δ Si 7 (Mg-deficient and Al-rich) in experiment. (ii) Calculated solute-partitioning energies of common solutes allow us to define general rules for site-preference in the Q-phase in terms of electronic structure and atomic radius. To validate our DFT predictions, we perform atom-probe tomography (APT) experiments for six-different elements (Zn, Ni, Mn, Ti, V, and Zr). The results show that the partitioning behavior of solutes Ni, Zn, and Mn are consistent with DFT predictions, but the transition elements (Ti, V, and Zr), which are anomalously slow diffusers in Al, partition to the Q-phase in constrast to DFT partitioning energies. (iii) For the low energy interface ($11\bar{2}$) Q //(510) Al observed in needle shaped Q-precipitate, we survey various terminations and orientations and derive a low-energy interfacial structure. Here we find this low-energy interfacial model has Cu atoms nearest to the interface, which is in agreement with previous literature on Cu interfacial segregation at the Q'//α-Al interface. The computed interfacial energy (0.52 J/m 2 ) and the corresponding structure will be useful input to future multi-scale modeling of microstructural evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, the transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Elucidating the contribution of mobile hydrogen-deformation interactions to hydrogen-induced intergranular cracking in polycrystalline nickel

Uniaxial mechanical testing conducted at room temperature (RT) and 77 K on hydrogen (H)-exposed nickel was coupled with targeted microscopy to evaluate the influence of deformation temperature, and therefore mobile H-deformation interactions, on intergranular cracking in nickel. Results from interrupted tensile tests conducted at cryogenic temperatures (77 K), where mobile H-deformation interactions are effectively precluded, and RT, where mobile H-deformation interactions are active, indicate that mobile H-deformation interactions are not an intrinsic requirement for H-induced intergranular fracture. Moreover, an evaluation of the true strain for intergranular microcrack initiation for testing conducted at RT and 77 K suggests that H which is segregated to grain boundaries prior to the onset of straining dominates the H-induced fracture process for the prescribed H concentration of 4000 appm. Lastly, recent experiments suggesting that H-induced fracture is predominately driven by mobile H-deformation interactions, as well as the increased susceptibility of coherent twin boundaries to H-induced crack initiation, are re-examined in light of these new results.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Transmutation-induced precipitation in tungsten irradiated with a mixed energy neutron spectrum

Transmutation-induced precipitation in neutron-irradiated tungsten is an important performance concern for its application as plasma facing material in fusion reactors. In this study, segregation and precipitation of transmutant elements in single crystal and polycrystal tungsten irradiated at 460–1100 °C to 0.02–2.4 displacements per atom (dpa) in the High Flux Isotope Reactor were investigated using transmission electron microscopy. The results indicated that nanoscale W-Re-Os clusters were identified in the low dose regime from 0.02 to 0.44 dpa with irradiation temperature lower than 800 °C while acicular-shape precipitates formed when irradiation dose is higher than 1.5 dpa. A tentative roadmap of the kinetics process of the transmutation-induced precipitation in neutron-irradiated tungsten is presented characterizing the defect features (i.e., W-Re-Os clusters and precipitates) consisting of transmutant elements in tungsten irradiated to various doses. All TEM-visible voids were associated with the acicular-shape precipitates. Voids were formed prior to the formation of acicular-shape precipitates and act as strong trapping sites for mobile species involved in the precipitation together with dislocations. Thermal stability of W-Re-Os clusters was assessed by performing a 2-h anneal at 1200 °C on tungsten irradiated to 0.44 dpa at 705 °C. In conclusion, the kinetics process of transmutant elements and radiation defects are discussed to reveal the underlying mechanisms controlling the formation of precipitates in tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Response of 14YWT alloys under neutron irradiation: A complementary study on microstructure and mechanical properties

Nanostructured ferritic alloys (NFAs) having sub-micron grain size with a high density of nano-oxides (NOs) (size of ~2-3 nm) are one of the best candidates for structural components in Generation IV nuclear systems. In this study, 14YWT NFA cladding tubes were irradiated in BOR60 reactor up to 7 dpa at 360-370 °C. Detailed microstructural analysis has been conducted using bright field transmission electron microscopy, bright field scanning transmission electron microscopy, energy filtered transmission electron microscopy, energy dispersive X-ray spectroscopy, electron energy loss spectroscopy and transmission Kikuchi diffraction techniques. This revealed cavities, <100> and <111> type dislocation loops, and α' precipitates forming after irradiation with relationships between cavities and NOs, and α' precipitates and NOs. Cavities mostly form on the NOs; whereas, α' precipitates form between the NOs where the point defect concentration is high. Moreover, α' precipitates are distributed homogenously on and around the dislocation loops which is consistent with the observation that there is no Cr segregation on dislocation loops. Grain boundaries were found to be mostly depleted in Cr; however, the characteristics of each grain boundary determines the Cr behavior and the α' denuded zone around the grain boundaries. Mechanical properties of the irradiated tubes have been determined by using both low force and high force nanoindentation techniques, resulting in 1.03±0.33 GPa and 0.82±0.20 GPa hardening, respectively. Dispersed barrier hardening calculations and nanoindentation measurements are in good agreement. In this paper, 14YWT NFA has been systematically studied after neutron irradiation to better understand its superior performance: low α' concentration, low swelling and low radiation-induced hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructure and microchemistry study of irradiation-induced precipitates in proton irradiated ZrNb alloys

Proton irradiation induced Nb redistribution in Zr-xNb alloys (x = 0.4, 0.5, 1.0 wt%) has been investigated using scanning transmission electron microscopy/energy dispersive X-ray spectroscopy (STEM/EDS). Zr-xNb alloys are mainly composed of Zr matrix, native Zr–Nb–Fe phases, and β-Nb precipitates. After 2 MeV proton irradiation at 350 °C, a decrease of Nb content in native precipitates, as well as irradiation-induced precipitation of Nb-rich platelets (135 69 nm long and 27 12 nm wide) were found. Nb-rich platelets and Zr matrix form the Burgers orientation relationship, [$1\bar{1}1$]//[$2\bar{1}\bar{1}0$] and (011)//(0002). The platelets were found to be mostly coherent with the matrix with a few dislocations near the ends of the precipitate. The coherent strain field has been measured in the matrix and platelets by the 4D-STEM technique. Here, the growth of Nb-rich platelets is mainly driven by coherency and dislocation-induced strain fields. Irradiation may both enhance the diffusion and induce segregation of interstitial Nb to the ends of the irradiation induced platelets, further facilitating their growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti 0.25 CrFeNiAl

High-temperature disordered multi-component alloys, including high-entropy alloys, experience either segregation or partially-ordered phases to reach low-temperature phases. For Ti 0.25 CrFeNiAl x (0 ≤ x ≤ 1), experiments suggest a partially-ordered B2 phase, whereas CALculation of PHAse Diagrams (CALPHAD) predicts a region of L21+B2 coexistence. We employ first-principles KKR-CPA to assess stability of phases with arbitrary order and a KKR-CPA linear-response theory to predict atomic short-range order (SRO) in the disorder phase that reveals the competing long-range ordered (LRO) phases in a given Bravais lattice. The favorable SRO provides a specific concentration-waves (site occupation probabilities and partially-ordered unit cells) and estimated energy gains that can then be assess directly by KKR-CPA formation enthalpies. Our results are in good agreement with experiments and CALPHAD in Al-poor regions (x ≤ 0.75) and with CALPHAD in Al-rich region (1≥ x >0.75). Our first-principles KKR-CPA and SRO-based concentration-wave analysis is shown to be a powerful and fast method to assess competing LRO phases in complex solid-solution alloys, and our results suggests more careful experiments in Al-rich region are needed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structural and chemical disorder enhance point defect diffusion and atomic transport in Ni 3 Al-based γ' phase

The ordered L1 2 γ' Ni 3 Al intermetallic inclusions are routinely used as strengthening constituents in Ni-based superalloys and recent high-entropy alloys. As there are different metallic elements relative to the alloy matrix, the composition of γ' phase inclusions usually suffers some variations. In this work, we studied the elemental partition and its influence on atomic transport properties in a model (NiCo) 3 Al γ' phase with chemical and structural disorder. Combining the Monte Carlo and molecular static techniques, we first determined the elemental distribution in such compositionally-complexed γ' phase. The results suggest that Co tends to segregate, which profoundly influences defect energetics and diffusion properties. By modeling thermally activated diffusion by molecular dynamics, we found that chemical disorder induced by Co can enhance vacancy diffusion while significantly suppress diffusion via interstitial atom migration, as compared to the stoichiometric γ' Ni 3 Al. We further reveal that these observations are closely related to the defect energetics in these systems. Furthermore, our results explain the effects of disorder, long- and short-range orders on the diffusion properties in multicomponent intermetallic alloys, which helps to understand the stability and, thus, γ'-phase-assisted strengthening at different conditions including annealing and irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogen induced dislocation core reconstruction in bcc tungsten

Dislocation, playing a crucial role in the plastic deformation of metals, can be significantly affected by introducing solute elements. Hydrogen (H) embrittlement is one such example, while the underlying mechanism for H affected dislocation structural stability and mobility remains unclear and the role of H has been controversial. Here, using first-principles calculations, we demonstrate that the effect of H on screw dislocation in bcc tungsten (W) is H concentration-dependent, signified by a H-induced transition of SD core structure. At low concentrations of H segregation, dislocation maintains the intrinsic easy-core structure, and H atoms are attached to the “periphery” of dislocation to enhance dislocation motion. In contrast, at high H concentrations, dislocation transforms into a hard-core, metal hydride-like structure, as H atoms become the “body” of dislocation to significantly reduce the dislocation mobility in W. Further, such local easy-to-hard transition can also be induced by the other solutes, including helium, carbon, nitrogen and oxygen. Our work sheds new light on the H-dislocation interactions in bcc W, having broad implications in the interstitial solute-related phenomena.

36 MATERIALS SCIENCE↗