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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Ettringite-Related Dimensional Stability of CO 2 -Cured Portland Cement Mortars

Carbonation curing, where cement is cured in a CO 2 -rich environment, is an emerging technology in the precast industry that promotes CO 2 sequestration in construction materials. It demonstrates good promise for enhancing material strength development, chemical resistance and manufacturing sustainability. A critically important but little studied aspect of carbonation curing is the dimensional stability of the cured materials, which poses a significant impact on longevity of cement-based materials and structures. In this study, we propose to use carbonation curing to substitute the conventional energy-intensive steam curing and time-consuming moisture curing, and examine the dimensional stability of Portland cement mortars manufactured by different curing approaches. The common pathology in precast concrete that potentially creates undesirable expansions, known as Delayed Ettringite Formation (DEF), is particularly investigated. Four curing approaches were examined including moist, steam (maximum temperature at 85°C to purposefully induce DEF), combined steam-carbonation, and carbonation curing in which steam curing was used to verify favorable cement chemistry for DEF and to indicate DEF onset timing. It was found that, among the four curing approaches designed in this study, the carbonation-cured mortars demonstrated the lowest expansion (~0%) whereas the steam-cured mortars showed the highest (>0.6%) after 500 days of storage in saturated limewater. Mortar expansion after the combined steam-carbonation curing (~0.1%) was lower than that of steam curing, but remained higher with respect to the moisture-cured reference. Here, the mineral ettringite was detected at 500 days after all curing approaches. However, larger ettringite crystal size (5-10 μm) with greater dispersion was observed via scanning electron microscopy after steam curing in reference to carbonation curing (< 5 μm). Additionally, the calcium carbonate precipitated by CO 2 carbonation was found to participate in the post-carbonation hydration to promote formation of monocarboaluminate and hemicarboaluminate, which stabilize ettringite and potentially lead to a secondary densification of the mortar microstructure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Exploring crown-ether functionalization on the stabilization of hexavalent neptunium

Crown-ether molecules are used in radiochemical separations due to their high selectivity for a range of metal cations. Previous investigations regarding the interactions of 18-crown-6 (18C6) with 237 Np suggested the formation of a Np(V) inclusion complex, but also reported rapid reduction of Np(VI) to Np(V) in the presence of the ether molecule. Herein, we investigate the impact of crown ether functionalization by exploring the Np(V) and Np(VI) dicyclohexano-18-crown-6 (DCH-18C6) systems. Two [X(DCH-18C6)] 2 [Np(VI)O 2 Cl 4 ] compounds (X = K (1) and Na (2)) were crystallized and characterized by single crystal X-ray diffraction and Raman spectroscopy. Additional studies of Np(VI), Np(V), and Np(V)/Np(VI) in solution indicated redox stability in the presence of functionalized crowns and preferential crystallization of Np(VI) DCH-18C6 solids. Furthermore, these results indicate that functionalization of the crown can lead to higher resistance to radiolysis and increased stability of the Np(VI) oxidation state in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Collocation Methods for Exploring Perturbations in Linear Stability Analysis

Eigenvalue analysis is a well-established tool for stability analysis of dynamical systems. However, there are situations where eigenvalues miss some important features of physical models. For example, in models of incompressible fluid dynamics, there are examples where linear stability analysis predicts stability but transient simulations exhibit significant growth of infinitesimal perturbations. This behavior can be predicted by pseudospectral analysis. In this study, we show that an approach similar to pseudospectral analysis can be performed inexpensively using stochastic collocation methods and the results can be used to provide quantitative information about instability.In addition, we demonstrate that the results of the perturbation analysis provide insight into the behavior of unsteady flow simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Tailoring the Surface of Silicon Nanoparticles for Enhanced Chemical and Electrochemical Stability for Li-Ion Batteries

Organic monolayers of epoxy-containing oligo(ethylene oxide)s were grafted to the surface of silicon nanoparticles via a hydrosilylation reaction. The surface functional groups suppressed the chemical and electrochemical reactivity of the as-grown and lithiated silicon nanoparticles with high material utilization. A robust Si/electrolyte interphase was formed with the participation of the grafted organic groups with facilitated Li+ transfer and was further enforced by electrode integrity via the epoxy/poly(acrylic acid) (PAA) binder reaction. The improved cycling stability and post-test analysis indicate that surface functionalization on the Si particle level is a feasible approach to enabling a Si anode in high-energy-density lithium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Fluoropolymer‐Stabilized Chromophore–Catalyst Assemblies in Aqueous Buffer Solutions for Water‐Oxidation Catalysis

Abstract Here, the application of the fluorinated polymer [Dupont AF, a copolymer of 4,5‐difluoro‐2,2‐bis(trifluoromethyl)‐1,3‐dioxole and tetrafluoroethylene] is described in stabilizing phosphonate‐derivatized molecular assemblies on oxide electrodes. In the procedure, the polymer was dip‐coated onto the surfaces of oxide electrodes with pre‐bound, phosphonate‐derivatized chromophores and assemblies, including assemblies for water oxidation. The results of the experiments showed a high degree of stabilization by the added polymer and a demonstration of its use in stabilizing surface‐bound assemblies for water‐oxidation catalysis.

Eberhart, Michael S.↗
DOE OSTI2021

Predicting zeolites’ stability during the corrosion of nuclear waste immobilization glasses: Comparison with glass corrosion experiments

During the long-term corrosion of nuclear waste glasses under nuclear waste disposal conditions, the precipitation of zeolitic phases has been linked to a delayed acceleration in glass corrosion (known as “Stage III”). Hence, predicting the thermodynamic propensity for zeolites to form upon the dissolution of nuclear waste glasses is key to ensure their long-term performance. Here, we compile a unified, internally-consistent thermodynamic database “clay20” to estimate the stability of clay and feldspar phases relevant to nuclear waste immobilization glasses, including beidellite(Mg, Ca, Na, K), kaolinite, montmorillonite(Mg, Ca, Na, K), nontronite(Mg, Ca, Na, K), saponite(Ca, Na, K), and albite. Based on this, we report a geochemical modeling method allowing us to predict the stability of secondary phases (including zeolites, calcium–silicate–hydrate gels, and clays) upon the dissolution of nuclear waste immobilization glasses. We show that this approach offers a realistic description of the stability of the secondary phases forming during the dissolution of two archetypical model nuclear glasses (namely, the International Simple Glass, ISG, and WVUTh-203) under conditions relevant to nuclear waste disposal (T = 90°C, p = 1 bar) as a function of pH. We find that the formation of silica and clay secondary phases is thermodynamically favored at low pH (pH < 10), whereas, in contrast, zeolite (analcime) and calcium–silicate–hydrate phases are favored at high pH (pH > 10.5). This suggests that thermodynamics (i.e., not solely kinetics) plays a key role in determining the range of solution pH wherein stage III corrosion may occur, i.e., when zeolite formation is favored.

Zhen-Wu, Bi Yun↗
DOE OSTI2018

Meta-equilibrium transition microstructure for maximum austenite stability and minimum hardness in a Ti-stabilized supermartensitic stainless steel

We report that the maximization of stable reverted austenite at room temperature through inter-critical tempering is a widely used method to reduce hardness in supermartensitic stainless steels. Nevertheless, partial martensitic transformation might occur due to insufficient compositional stabilization. In this work, we conducted a time-resolved triple-step inter-critical tempering, specially designed to obtain maximum austenite stability and minimum hardness through the progressive suppression of the martensitic transformation. The mechanism behind the progressive increase in stable reverted austenite was the generation of a meta-equilibrium state, which imposed a limit in both high temperature austenite reversion and room temperature austenite stabilization. Such limit corresponded to the high temperature volume fraction of austenite, obtained right before cooling from the first cycle. Additionally, this effect was associated to the Ni-rich fresh martensite laths acting as local Ni compositional pockets, providing site-specific austenite reversion; and to the suppression of any additional nucleation at the Ni-poor matrix as the T0 temperature for austenite reversion was strongly increased. The softening mechanism was mainly controlled by the carbon arrest effect by the precipitation of Ti (C, N), which was completed after the first tempering cycle. Nevertheless, maximizing reverted austenite and suppressing fresh martensite at room temperature did not result in additional hardness reductions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Milling stability identification using Bayesian machine learning

This paper describes automated identification of the milling stability boundary using Bayesian machine learning and experiments. The Bayesian machine learning process begins with the user’s initial beliefs about milling stability. This “prior” is a distribution that uses all available information, which may be based only on experience or may be informed by physics-based model predictions. Experiments are then completed to update this prior by calculating the “posterior,” a modified probabilistic description of the milling stability limit based on the new information. The approach is demonstrated and results are presented for both numerical and experimental cases.

Karandikar, Jaydeep↗
DOE OSTI2025

Optimization of an aerostructural machining process using physics-guided Bayesian stability modelling

Existing algorithms for predicting milling chatter have not been widely adopted in industry since they require specialized instruments to measure the stability inputs. This study describes how the machining process for a meter-scale aluminum aerostructure was optimized using a physics-guided Bayesian stability model. The study was performed in collaboration with an industrial partner on production machines to evaluate the practicality of the proposed method under real-world conditions. For each cutting tool, the Bayesian approach automatically selected a small number of cutting tests, which were monitored using a microphone to observe the chatter frequency. The algorithm learned the system dynamics, cutting forces, and stability map from these test results. A novel algorithm for predicting tool bending stress was incorporated into the test selection algorithm to avoid tool breakage. On average, each set of optimized cutting parameters required less than six tests to identify and were 97% more productive than baseline parameters from the cutting tool manufacturer. The machining program was then further optimized using commercial feedrate scheduling software to remove cutting force spikes and reduce air cutting time. Five components were machined using the optimized process. These results demonstrate the potential for physics-guided Bayesian models to improve productivity in industrial settings.

Cornelius, Aaron [UT Knoxville]↗
DOE OSTI2022

Thermal Stability and Mechanical Properties of Cold-Sprayed Nickel-Yttria Coating

The microstructural evolution under the extreme environments imposed during cold spray deposition of cermet coatings and the microstructural recovery during post-processing annealing treatments is rather complex and not well understood. Here, Ni-Yttria cermet coatings on an SS304 substrate were produced using cold spray technique, resulting in a bimodal grain structure. The grain growth, phase stability, hardness, and wear properties are observed in as-deposited and annealed (at 400 °C) Ni-Yttria and pure Ni coatings. A multimodal microstructural characterization using electron microscopy, and atom probe tomography shows the structural and compositional stability of yttria particles and Ni grains. A fragmentation of Y-rich particles and dispersion in Ni was observed, however, no forced mixing/dissolution of Y in Ni is detected. Nano-yttria dispersed within the Ni grains slowed the grain growth during annealing. After annealing, Yttria reinforced coating was 1.5 times harder and showed better thermal and mechanical stability compared to the Ni coating.

Gwalani, Bharat↗