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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Elemental segregation to lattice defects in the CrMnFeCoNi high-entropy alloy during high temperature exposures

The influence of small plastic pre-strains on the elevated-temperature stability and microstructure of the equiatomic CrMnFeCoNi FCC solid solution is investigated. Particular attention is given to whether any of the alloy elements segregate to individual dislocations. To that end, CrMnFeCoNi samples were first deformed in tension at room temperature to plastic strains of 0.2 and 2.3%, and subsequently annealed at 973 K for 800 hours. The pre-strains activated planar slip of 1/2<110>-type dislocations on {111}-type glide planes. Interactions of this planar slip with special Σ3 grain boundaries formed a large number of dislocation segments with a <110>-type crystallographic orientation suitable for a credible end-on analysis of dislocation cores in HR-STEM. The cores of the 1/2<110> dislocations pushed up against the investigated grain boundaries were found to be close to the compact configuration. Within the sensitivity of the Super-X EDS mapping, no concentration gradient was detected near dislocations that would indicate enrichment at dislocation cores of any of the elemental constituents of the alloy after the pre-deformation and annealing. However, a Cr-rich tetragonal sigma phase nucleated and grew at grain boundary triple junctions during this anneal, processes that were not accelerated by the enhanced dislocation density present after pre-strain. A clear chromium gradient was observed in the Cr-depleted zones near grain boundaries suggesting that Cr transport occurred by relatively slow diffusion from the bulk to the grain boundaries and then by relatively fast diffusion along the grain boundaries to the precipitates. Accompanying the Cr depletion near grain boundaries is a simultaneous Ni and Mn enrichment, which promotes formation of the L1 0 NiMn phase that is observed on the grain boundaries after prolonged annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ordering effects on deformation substructures and strain hardening behavior of a CrCoNi based medium entropy alloy

Here, a CrCoNi based medium entropy alloy with small additions of Ti, Al and Nb (denoted as (CrCoNi) 93 Al 4 Ti 2 Nb) in the as-quenched condition, exhibits tensile properties comparable to those of the equiatomic CrCoNi alloy at room temperature. Dark field transmission electron microscopy (TEM), atomic resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) together with atom probe tomography (APT) show that spatially-localized long range ordering (LRO) L1 2 domains exist in this alloy. The evolution of deformation substructure with plastic deformation in this alloy was characterized using electron backscatter diffraction (EBSD), electron channeling contrast imaging (ECCI) and STEM based techniques including the recently developed weak beam dark field STEM imaging. Plastic deformation occurs by the slip of a/2<110>dislocations, which are narrowly dissociated into Shockley partial dislocations on {111} slip planes. Their dissociation distances in the (CrCoNi) 93 Al 4 Ti 2 Nb alloy are much smaller than the widths of the corresponding partials in the equiatomic CrCoNi alloy due to one or more of the minor alloying elements (Al, Ti, Nb). Dislocation slip in this alloy has a pronounced planar character. The leading dislocations in slip bands glide as pairs due to the existence of LRO domains. Multipoles were formed through the slip of dislocations with opposite signs on adjacent {111} slip planes. Those multipoles serve as building blocks for the formation of subgrain structures consisting of fine slip bands. The distances between slip bands were continuously refined during plastic deformation and dynamic refinement of slip bands plays a crucial role in strain hardening. The effects of LRO domains on planar dislocation slip, the deactivation of deformation twinning and strain hardening of this alloy are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-temperature deformation mechanisms in a BCC+B2 refractory complex concentrated alloy

The current study reports the analysis of the deformation mechanisms at 600 °C in a two-phase, BCC+B2, refractory complex concentrated alloy (RCCA) Al 0.5 NbTa 0.8 Ti 1.5 V 0.2 Zr. At this temperature, the alloy microstructure is unstable and dynamic coarsening of B2 precipitates is evidenced during the mechanical testing. After true plastic strain of 0.030 at strain rate of 10 -4 s -1 , the deformation becomes highly localized in wavy bands reflecting the profusion of cross-slip. Scanning transmission electron microscopy (STEM) observations highlight the presence of paired a/2$\langle$111$\rangle$ dislocations that shear the B2 precipitates in a cooperative process. Additionally, some chemical segregation effect is observed along the narrow dislocation bands likely induced to decrease the antiphase boundary (APB) energy of the system.

ordering↗
DOE OSTI2023

Phase field modeling of shearing processes of a dual-lobed γ"|γ'|γ" coprecipitate

The Ni-based superalloy IN718 is one of the most widely used commercial alloy in the aerospace industry since its development in 1960s. The excellent mechanical properties have been attributed in a great deal to strengthening by coherent γ' and γ" precipitates. The deformation mechanisms of these two phases have been well studied individually. Recent experimental characterization has shown coprecipitates of these two phases in a variety of morphologies and it was argued that these coprecipitates may lead to improved strengthening as compared to their monolithic counterparts. However, the deformation mechanisms of these coprecipitates are still not well understood. In this study, we performed microscopic phase field simulations, with generalized-stacking-fault (GSF) energy surfaces from ab initio calculations as inputs, to systematically study the shearing processes of a periodical array of dual-lobed coprecipitates as well as monolithic precipitates. We found that the coupling between the γ' and γ" phases in the coprecipitates forces dislocations to take high energy shearing pathways in both phases that would not occur if they were in monolithic forms. The coupling also creates stacking fault configurations in the coprecipitates that require high stress to form. Thus, the presence of coprecipitates in general should increase the resistance to dislocation shearing and lead to higher strength levels. Various fault configurations observed during the shearing process are documented as a reference for future comparison with experimental observations. The link between stacking fault shearing and microtwinning is also discussed. Here, the mechanisms analyzed in this study deepens our understanding of coprecipitation effects on alloy strength and may form a cornerstone for multi-precipitate strengthened alloy design strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nanoscale mapping of point defect concentrations with $\mathrm{4D-STEM}$

Vacancies are missing atoms in a crystalline material, and occur both at equilibrium (varying with temperature) and out of equilibrium such as when crystalline materials are damaged with radiation or corrosion. While we know of their importance, particularly regarding diffusive mechanisms, it is not straightforward to experimentally measure their concentration or to visualize them directly. Traditionally, measurements such as positron annihilation spectroscopy and to some degree X-ray diffraction can measure average concentrations, but generally lack the ability to visualize or quantify a heterogenous concentration of vacancies that can occur at the level of individual defects and microstructural features. Here, we present a method to map vacancy concentrations and their distribution using local lattice parameter measurements with a high-resolution electron microscope. Our method utilizes a Au thin film as a model to demonstrate the method via four-dimensional scanning transmission electron microscopy (4D-STEM) by correlating the differences between changes in lattice parameter and the volumetric thermal expansion during in situ heating experiments. The vacancy mapping methodology is also applied to non-equilibrium defects accumulated in pure Al via knock-on electron beam irradiation. Our method demonstrates the ability to map point defect concentrations in heterogeneous systems in situ with nanometer spatial resolution. The result is a technique that can provide direct measurements of vacancy concentrations at the level of individual defects in studies of materials in and out of equilibrium.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mechanical properties of an Al 10 Nb 20 Ta 15 Ti 30 V 5 Zr 20 A2/B2 refractory superalloy and its constituent phases

Refractory superalloys (RSAs) are a new class of high-temperature structural materials consisting of a nanometer-sized mixture of two coherent A2 (disordered BCC) and B2 (ordered) phases. While these RSAs typically exhibit superior mechanical properties at elevated temperatures, they suffer from limited plasticity at lower temperatures, often attributed to the continuous ordered B2 matrix in these two-phase alloys. To knowledgably control the microstructure and mechanical properties of these alloys, the properties of the constitutive phases in RSAs should be known. Currently this information is absent. Here, in the present work, the microstructure and mechanical properties (at 20–1200 °C) of a candidate Al 0.5 NbTa 0.8 Ti 1.5 V 0.2 Zr RSA and two single-phase alloys, which compositions correspond to the compositions of the A2 and B2 phases in the selected RSA, are reported. Interestingly, and quite unexpectedly, the intrinsic mechanical behavior of the constituent A2 and B2 phases, deciphered for the first time in the present study, revealed that they are softer and substantially more ductile than the parent two-phase RSA. Furthermore, the ordered B2 phase exhibits a deformation twinning mechanism leading to twinning induced plasticity (TWIP) coupled with a low APB energy and activity of 1/2<111> dislocations. These mechanisms are thought to be responsible for the high plasticity of the ordered B2 phase. The results presented here question the current assumption that the ordered B2 phase in these RSAs has limited plasticity and strongly indicate that the nature of the B2/A2 interface boundaries and coherency strengthening play an important role in controlling the mechanical properties of the two-phase RSA.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elucidating the role of Cr migration in Ni-Cr exposed to molten FLiNaK via multiscale characterization

Structural materials used in nuclear reactor environments are subjected to coupled extremes such as high temperature, irradiation, and corrosion which act in concert to degrade their functional performance. Connecting alloy microstructure such as grain boundaries, and accumulating point defects with corrosion attack and pore morphology is critical to understanding underlying mechanisms. We uncover the compositional variations and morphology at multiple length scales in corrosion-damaged Ni-Cr alloy after exposure to oxidants in molten fluoride salts. A complex network of dense corrosion pores is detected by surface-level SEM observations. The corrosion pores take on a 1-dimensional morphology and are enriched with Ni and depleted of Cr 1–5 µm from the pore surface. STEM-EDS and 4D-STEM strain maps acquired simultaneously highlight the local variations in composition and structure of a ≤ 200 nm Cr-rich layer identified from a cross-section taken at the bottom of an isolated corrosion pore between the Ni-Cr alloy matrix and the embedded salt. However, the absence of an observed interface between the Ni-Cr alloy matrix and the FCC-structured Cr-rich layer suggests that Cr plating from the salt did not transpire. These findings support a proposed Cr lattice diffusion mechanism rather than Cr-precipitation from the salt to accommodate temperature transient conditions during sample cooling. Through the development of a 1D phase field model, these results are rationalized by formation energies for the Ni- and Cr-oxidation into the molten salt. This study reveals the locally altered microstructure caused by high temperature corrosion in non-steady-state molten salt nuclear reactor environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tailoring mechanical properties of a multi-principal element alloy through a multi-length-scale approach

In this study, a multi-length-scale strengthening approach was used to tailor the microstructure and the mechanical properties of a NiCoCr-based multi-principal element alloy (MPEA). Grain size refinement, severe lattice distortion, and stacking fault energy (SFE) reduction with Mo addition (up to 10 at.%) enhance yield strength by 85% with only 10% reduction in ductility in as-annealed MPEAs. A pronounced increase in the strain hardening rate was observed with the addition of Mo, which is ascribed to the promotion of complex stacking fault (SF) interaction and intersection, accompanied by Lomer-Cottrell (L-C) and Hirth locks inhibiting dislocation motion and substantial increase in the accumulation of back stress. To push the limit of the yield strength further, the Suzuki segregation phenomenon was manipulated by a careful control of SF density by pre-straining and a subsequent 500 °C heat treatment. The stress-strain responses of the pre-strained and heat treated MPEAs showed an obvious SF density and Mo concentration dependence. Furthermore, the yield strength of the pre-strained Mo-added MPEAs with subsequent heat treatment was increased up to true stress of 2.3 GPa with a corresponding fracture elongation of 12% true strain. SFs formed during pre-straining served as Cr segregation sites during subsequent heat treatment, which substantially varies the local SFE within the SF, presenting a roughened landscape and frustrating the dislocation dynamics.

mechanical properties↗
DOE OSTI2025

Multi-modal characterization of the B2 phase in the Ta-Re binary system

The energy and transportation industries demand materials that retain their mechanical property at high temperatures. Refractory complex concentrated alloys (RCCAs) with a BCC + B2 microstructure offer a potential solution, where maintaining the high temperature mechanical properties can be achieved by precipitation strengthening. This depends on the B2 phase in RCCAs being thermodynamically stable with a high solvus temperature. Recently, we predicted the high temperature stability of the B2 structure in the Ta-Re binary system, using density functional theory. Here, in this study, we provide experimental evidence for the existence of this phase for the first time, using a Ta 65 Re 35 alloy. Despite Ta-Re binary phase diagrams predicting a single-phase BCC microstructure for Ta 65 Re 35 , we show that a high Z nanoscale secondary phase appears after heat treatment at 1550 °C and 1100 °C. Scanning transmission electron microscopy (STEM) revealed that this phase has a cubic structure and is equiatomic TaRe though B2 superlattice reflections were absent in fast Fourier transforms (FFT) and diffraction patterns (DPs). DP simulations indicate that the B2 TaRe superlattice reflections are up to two orders of magnitude weaker than their fundamental reflections, making their detection challenging via electron microscopy. Neutron diffraction confirmed the second phase had a B2 structure. This study identified a previously unobserved high temperature stable B2 phase in the Ta-Re system, enabling the development of new high temperature BCC + B2 RCCAs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Plentiful electricity turns wholesale prices negative

In 2020, average wholesale electricity prices in the United States fell to $21/MWh, their lowest level since the beginning of the 21st century. Low natural gas prices and the proliferation of low marginal cost resources like wind and solar had already established a trend toward lower wholesale prices, and this trend was exacerbated by declining electricity demand due to the Covid-19 pandemic in 2020. Negative real-time hourly wholesale prices occurred in about 4% of all hours and wholesale market nodes across the United States, but these were not distributed evenly. Regional clusters emerged, for example, in the Permian Basin in western Texas, and in Kansas and western Oklahoma in the Southwest Power Pool (SPP), negative prices accounted for more than 25% of all hours. Negative electricity prices result either from local congestion of the transmission system leading supply to exceed demand locally or due to system-wide oversupply. Looking at the latter condition in SPP, we find that all major generator types contribute to this excess supply, because of limited ramping flexibility or self-scheduled out-of-market unit commitments. Additional monetary production incentives such as renewable energy credits or tax credits also enable negative bids; indeed, negative prices predominantly occur when demand levels are low and wind production levels are high. Frequent negative prices can inform the value of additional renewable energy investments at specific locations, the need for transmission and storage development, and opportunities load growth or adaptation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

The impact of wind, solar, and other factors on the decline in wholesale power prices in the United States

Across multiple organized wholesale power markets in the United States, annual average prices declined by 19–64 dollars per MWh between 2008 and 2017 while retirements of thermal power plants accelerated. Several prominent changes over the last decade are often discussed as contributors to this decline in prices. These include growth in wind and solar, a reduction in the price of natural gas, and weakened load growth. Here we construct a fundamental supply curve model for each of seven organized wholesale market regions and use counterfactual simulations to assess the degree to which wind and solar—among other factors—have influenced wholesale electricity prices. We find that growth in wind and solar since 2008 reduced average annual wholesale electricity prices by less than 3 dollars per MWh. In contrast the decline in natural gas prices reduced wholesale prices by 7–53 dollars per MWh, depending on the region. This suggests that recent thermal-plant retirements in the U.S. are primarily due to low natural gas prices, not growth in wind and solar. Fully isolating the impact of individual factors, however, is limited by non-linear interactions between factors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Project developer options to enhance the value of solar electricity as solar and storage penetrations increase

Increasing the penetration of photovoltaics (PV) reduces the marginal grid value of PV electricity. The declining grid value of PV with higher penetration could limit the technology's economic attractiveness and future demand. Various strategies have been proposed for preserving this value. Using a consistent framework, we analyze the net value (accounting for both cost and grid value) of more than ten strategies in the United States. Here, grid value is estimated from coincident wholesale power market prices and PV generation using observed historical prices or modeled future prices with up to 30% PV penetration. We find that established and emerging strategies designed to shift the timing of standalone PV generation at the expense of total generation—including orienting monofacial PV modules west or bifacial modules vertically—result in minor net-value benefits or penalties. Adding energy storage to such systems magnifies the net-value loss, because configurations that change the timing of PV production become redundant when the energy-shifting capabilities of storage are added. The largest net-value gains come from strategies that maximize generation (solar tracking plus oversized PV arrays) in conjunction with storage, especially at high PV penetrations. PV systems are long-lived assets. Our results suggest that efforts to promote generation-maximizing strategies today may yield increasing net-value benefits as PV and storage deployments continue to accelerate in the United States over the coming decades.

14 SOLAR ENERGY↗
DOE OSTI2022

Microstructural dependence of defect formation in iron-oxide thin films

In this report passivating iron-oxide films are grown atop iron films simulating the corrosion process in a nuclear reactor environment. Two oxide films grown via physical vapor deposition at 600 °C and room temperature exhibited dense-epitactic and columnar-polycrystalline, microstructures respectively. A third oxide film grown in open air at 600 °C exhibited an eqiuaxed, porous morphology. Cubic maghemite and magnetite phases in each oxide film were identified via grazing incidence X-ray diffraction. Positron annihilation spectroscopy was used to characterize point defects and measure their depth and size distributions in each oxide layer and showed a range of average positron lifetimes from 0.23 ns in the high temperature, vapor deposited film, 0.35 ns in the room temperature-grown film, and 0.31 ns in the thermally grown oxide. These data indicate that the film morphology, which varies greatly in these films, leads to very different defect content. Finally, four-dimensional scanning transmission electron microscopy was used to measure the internal stress of each film and was correlated to the strain state presented in the X-ray diffraction spectra. The defect formation in each film is reasoned through using a thin film growth model.

36 MATERIALS SCIENCE↗