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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Phase Composition and Phase Transformation of Additively Manufactured Nickel Alloy 718 AM Bench Artifacts

Additive manufacturing (AM) technologies offer unprecedented design flexibility but are limited by a lack of understanding of the material microstructure formed under their extreme and transient processing conditions and its subsequent transformation during post-build processing. As part of the 2022 AM Bench Challenge, sponsored by the National Institute of Standards and Technology, this study focuses on the phase composition and phase evolution of AM nickel alloy 718, a nickel-based superalloy, to provide benchmark data essential for the validation of computational models for microstructural predictions. Here, we employed high-energy synchrotron X-ray diffraction, in situ synchrotron X-ray scattering, as well as high-resolution transmission electron microscopy for our analyses. The study uncovers critical aspects of the microstructure in its as-built state, its transformation during homogenization, and its phase evolution during subsequent aging heat treatment. Specifically, we identified secondary phases, monitored the dissolution and coarsening of microstructural elements, and observed the formation and stability of γ ’ and γ ” phases. The results provide the rigorous benchmark data required to understand the atomic and microstructural transformations of AM nickel alloy 718, thereby enhancing the reliability and applicability of AM models for predicting phase evolution and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

On-demand formation of Lewis bases for efficient and stable perovskite solar cells

In the fabrication of FAPbI 3 -based perovskite solar cells, Lewis bases play a crucial role in facilitating the formation of the desired photovoltaic α-phase. However, an inherent contradiction exists in their role: they must strongly bind to stabilize the intermediate δ-phase, yet weakly bind for rapid removal to enable phase transition and grain growth. To resolve this conflict, we introduced an on-demand Lewis base molecule formation strategy. This approach utilized Lewis-acid-containing organic salts as synthesis additives, which deprotonated to generate Lewis bases precisely when needed and could be reprotonated back to salts for rapid removal once their role is fulfilled. This method promoted the optimal crystallization of α-phase FAPbI 3 perovskite films, ensuring the uniform vertical distribution of A-site cations, larger grain sizes and fewer voids at buried interfaces. Perovskite solar cells incorporating semicarbazide hydrochloride achieved an efficiency of 26.1%, with a National Renewable Energy Laboratory-certified quasi-steady-state efficiency of 25.33%. These cells retained 96% of their initial efficiency after 1,000 h of operation at 85 °C under maximum power point tracking. Additionally, mini-modules with an aperture area of 11.52 cm 2 reached an efficiency of 21.47%. This strategy is broadly applicable to all Lewis-acid-containing organic salts with low acid dissociation constants and offers a universal approach to enhance the performance of perovskite solar cells and modules.

14 SOLAR ENERGY↗
DOE OSTI2022

Improved Control Strategy of Grid-Forming Inverters for Fault Ride-Through in a Microgrid System

This paper develops an improved control strategy of grid-forming (GFM) inverters with fault ride-through capabilities to guarantee the stable operation of microgrids under fault conditions, especially islanded microgrids and asymmetrical faults. The proposed control strategy includes the dual control of positive-sequence and negative-sequence control as well as the adaptive virtual impedance (VI) control. Unlike existing works, the proposed strategy applies the VI control for only the d component of the positive-sequence control and leaves the q component of the positive-sequence control and the dq component of the negative-sequence control as zero, thus achieving improved stability and balanced three-phase voltages under asymmetrical faults. The adaptive feature of the VI control guarantees the stability of the GFM inverter under severe faults, which could cause the saturation of the inner current loop and instability if the VI is not adaptive. Simulation results of various unbalanced faults with high- and low-fault impedances show that the proposed control strategy improves the stability of the GFM inverter and achieves stable and balanced output voltages in islanded microgrids. And the algorithm also improves the stability of GFM inverters under balanced faults with high- and low-fault impedances.

adaptive virtual impedance control↗
NASA NTRS1989

A low-loss linear analog phase modulator for 8415 MHz transponder application

A breadboard single-section low-loss analog phase modulator with good thermal stability for a spacecraft transponder application has been analyzed, fabricated, and evaluated. A linear phase shift of 70 degrees with a linearity tolerance of plus or minus 7 percent was measured for this modulator from 8257 to 8634 MHz over the temperature range -20 C to 75 C. The measured insertion loss and the static delay variation with temperature were within 2 plus or minus 0.3 dB and 0.16 ps/C, respectively. Four sections will be cascaded to provide the X-band (8415 MHz) phase modulator. The generic modulator design can also be utilized at 7950 to 8075 MHz followed by X4 multiplication to provide modulation of a Ka-band downlink signal.

Mysoor, N.↗
NASA NTRS1990

A simplified model for two phase face seal design

A simplified quasi-isothermal low-leakage laminar model for analyzing the stiffness and the stability characteristics of two-phase face seals with real fluids is developed. Sample calculations with this model for low-leakage operations are compared with calculations for high-leakage operations, performed using the adiabatic turbulent model of Beatty and Hughes (1987). It was found that the seal characteristics predicted using the two extreme models tend to overlap with each other, indicating that the simplified laminar model may be a useful tool for seal design. The effect of coning was investigated using the simplified model. The results show that, for the same balance, a coned seal has a higher leakage rate than a parallel face seal.

Lau, S. Y.↗
DOE OSTI2022

Improved Control Strategy of Grid-Forming Inverters for Fault Ride-Through in a Microgrid System

This paper develops an improved control strategy of grid-forming (GFM) inverters with fault ride-through (FRT) capabilities to guarantee the stable operation of microgrids under fault conditions, especially islanded microgrids and asymmetrical faults. The proposed control strategy includes the dual control of positive-sequence and negative-sequence control as well as the adaptive virtual impedance (VI) control. Unlike existing works, the proposed strategy applies the VI control for only the d component of the positive-sequence control and leaves the q component of the positive-sequence control and the dq component of the negative-sequence control as zero, thus achieving improved stability and balanced three-phase voltages under asymmetrical faults. The adaptive feature of the VI control guarantees the stability of the GFM inverter under severe faults, which could cause the saturation of the inner current loop, and the instability if the VI is not adaptive. Simulation results of various unbalanced faults with high and low fault impedances show that the proposed control strategy improves the stability of the GFM inverter and achieves stable and balanced output voltages in islanded microgrids. And the algorithm also improves the stability of GFM inverters under balanced faults with high and low fault impedances.

adaptive virtual impedance control↗
DOE OSTI2021

Various Low-Symmetry Phases in High- χ and Conformationally Asymmetric PDMS- b -PTFEA Copolymers

Since the discovery of the Frank–Kasper (FK) phase a decade ago, single-component block copolymer systems have offered unique opportunities to explore the structural and phase-transition properties of topologically close-packed FK phases composed of point-particle motifs. Here, we present the formation of complex low-symmetry phases and their thermodynamic stability using high-χ and high-ε linear diblock copolymers, where χ and ε are the Flory–Huggins interaction parameter and conformational asymmetry between the two blocks, respectively. In this work, a series of polydimethylsiloxane-b-poly(2,2,2-trifluoroethyl acrylate) (PDMS-b-PTFEA) copolymers are prepared by tuning the volume fraction ($f_{\text{PTFEA}}$) of a minor PTFEA block. The packing structures of PDMS-b-PTFEAs are mapped in the space of temperature versus $f_{\text{PTFEA}}$ using X-ray scattering measurements. In addition to the packing structures reported earlier, we identify another A15 phase at higher $f_{\text{PTFEA}}$ close to a hexagonally packed cylinder (HEX) phase and establish the phase sequence of HEX–A15–σ–C14–BCC with decreasing $f_{\text{PTFEA}}$. Theoretical calculation of relative free-energy densities confirms the experimental phase sequence of the composition-dependent sphere-packing structures. Interestingly, the domain sizes of three-dimensional (3D) sphere-packing structures are nearly temperature-invariant compared to that of a two-dimensional HEX structure, and we attribute this dimensional stability to the strong enthalpic effects in the formation of 3D packing structures and the geometrical characteristics of spherical domains. Our results demonstrate that the interaction parameter χ, together with the known role of conformational asymmetry ε, serves as the primary thermodynamic parameter for selecting and stabilizing various low-symmetry packing structures in sphere-forming linear diblock copolymer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Local lattice distortions and the structural instabilities in bcc Nb–Ta–Ti–Hf high-entropy alloys: An ab initio computational study

Local lattice distortions (LLD) and structural stability of body-centered cubic (bcc) Nb–Ta–Ti–Hf high-entropy alloys (HEAs) are studied as functions of composition employing ab initio density-functional theory calculations, with specific focus on the role of the relative concentrations of group IV (Ti and Hf) versus group V (Nb and Ta) elements. Calculated results are presented as a function of composition x in Nb x Ta 0.25 Ti (0.75-x)/2 Hf (0.75-x)/2 alloys, for elastic moduli, phonon spectral functions, LLD and structural energy differences for the bcc and competing hexagonal close-packed (hcp) and ω phases. The results highlight the important role of group V elements and LLD in stabilizing the bcc structure. They further reveal how composition x can be tuned to alter both the magnitude of the LLD and structural energy differences. Specifically, the magnitude of the structural energy differences, and elastic and dynamic stability of the bcc phase, are enhanced with increasing x, while the LLD increase in magnitude as this concentration is decreased. The results also show evidence of correlated LLD at lower values of x, reflecting local structural distortions towards the ω phase, but not hcp. The degree of ω-collapse is nevertheless partial i.e., transformation towards this phase is not observed to be complete due to the presence of Ta and Nb. At lower values of x we further find an energy landscape characterized by multiple, nearly degenerate local energy minima for different values of the LLD.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Scandia-and-Yttria-Stabilized Zirconia for Thermal Barriers

yttria in suitable proportions has shown promise of being a superior thermal- barrier coating (TBC) material, relative to zirconia stabilized with yttria only. More specifically, a range of compositions in the zirconia/scandia/yttria material system has been found to afford increased resistance to deleterious phase transformations at temperatures high enough to cause deterioration of yttria-stabilized zirconia. Yttria-stabilized zirconia TBCs have been applied to metallic substrates in gas turbine and jet engines to protect the substrates against high operating temperatures. These coatings have porous and microcracked structures, which can accommodate strains induced by thermal-expansion mismatch and thermal shock. The longevity of such a coating depends upon yttria as a stabilizing additive that helps to maintain the zirconia in an yttria-rich, socalled non-transformable tetragonal crystallographic phase, thus preventing transformation to the monoclinic phase with an associated deleterious volume change. However, at a temperature greater than about 1,200 C, there is sufficient atomic mobility that the equilibrium, transformable zirconia phase is formed. Upon subsequent cooling, this phase transforms to the monoclinic phase, with an associated volume change that adversely affects the integrity of the coating. Recently, scandia was identified as a stabilizer that could be used instead of, or in addition to, yttria. Of particular interest are scandia-and-yttria-stabilized zirconia (SYSZ) compositions of about 6 mole percent scandia and 1 mole percent yttria, which have been found to exhibit remarkable phase stability at a temperature of 1,400 C in simple aging tests. Unfortunately, scandia is expensive, so that the problem becomes one of determining whether there are compositions with smaller proportions of scandia that afford the required high-temperature stability. In an attempt to solve this problem, experiments were performed on specimens made with reduced proportions of scandia. The criterion used to judge these specimens was whether they retained the non-transformable tetragonal phase after a severe heat treatment of 140 hours at 1,400 C.

Mess, Derek↗
DOE OSTI2020

Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH3-SCR reaction from highly dispersed ZrO2

ZrO2 is introduced as a secondary phase to Cu-SSZ-13 via different approaches and tested for the NH3-SCR reaction. It is shown that the vicinity between the two catalyst phases, i.e., ZrO2 dispersion, influences interaction between copper oxide (CuOx) on Cu-SSZ-13 and ZrO2. A strong interaction is achieved when ZrO2 is formed with high dispersion on Cu-SSZ-13, and leads to the chemical interaction of CuOx and ZrO2 in hydrothermally aged catalysts. The result is formation of a Cu-stabilized t-ZrO2 phase which greatly hinders the non-selective NH3 oxidation due to CuOx. With reduced ZrO2 dispersion and less Cu-SSZ-13 and ZrO2 interaction, the beneficial role of ZrO2 is diminished. This strategy of CuOx passivation is able to significantly enhance the high-temperature selectivity of the state-of-the-art NH3-SCR catalytic system while mitigating the adverse impact of CuOx clusters on the zeolite, potentially enabling higher Cu-content SCR catalysts and improved low-temperature activity.

NH3-SCR, ZrO2, selective catalytic reduction, afte↗
NASA NTRS1978

Evaluation of aero Commander propeller acoustic data: Static operations

Acoustic data are analyzed from a series of ground tests performed on an Aero Commander propeller-driven aircraft with an array of microphones flush-mounted on one side of the fuselage. The analyses were concerned with the propeller blade passage noise during static operation at several different engine speeds and included calculations of the magnitude and phase of the blade passage tones, the amplitude stability of the tones, and the spatial phase and coherence of the tones. The results indicate that the pressure field impinging on the fuselage represents primarily aerodynamic (near field) effects in the plane of the propeller at all frequencies. Forward and aft of the propeller plane aerodynamic effects still dominate the pressure field at frequencies below 200 Hz; but at higher frequencies, the pressure field is due to acoustic propagation from an equivalent center located about 0.15 to 0.30 blade diameters inboard from the propeller hub.

Piersol, A. G.↗
NASA NTRS1979

Evaluation of aero commander propeller acoustic data: Taxi operations

The acoustic data from ground tests performed on an Aero Commander propeller driven aircraft are analyzed. An array of microphones flush mounted on the side of the fuselage were used to record data. The propeller blade passage noise during operations at several different taxi speeds is considered and calculations of the magnitude and phase of the blade passage tones, the amplitude stability of the tones, and the spatial phase and coherence of the tones are included. The measured results are compared to theoretical predictions for propeller noise and various evaluations which reveal important details of propeller noise characteristics are presented.

Piersol, A. G.↗
NASA NTRS1989

Time analysis of polydisperse sprays in complex turbulent environments

The two-phase flow field of a small swirl-stabilized burner has been investigated, using a phase Doppler particle analyzer to obtain the velocity, drop size, and time of arrival components. Water/kerosene comparisons were made for the case of nonreacting flow. It is found that the spray flow field is strongly influenced by the aerodynamic flow field and by the reaction and fluid properties. It is noted that vortex shedding produces clusters of drops.

Rudoff, R. C.↗
NASA NTRS1991

Effect of doping in the Bi-Sr-Ca-Cu-O superconductor

The results of the effect of doping on the superconducting transition in the Bi-Sr-Ca-Cu-O system are reported. Samples were prepared under identical conditions with varying types (Pb, Sb, Sn, Nb) and amounts of dopants. All samples consisted of multiple phases, and showed stable and reproducible superconducting transitions. Stabilization of the well known 110 K phase depends on both the type and amount of dopant. No trace of superconducting phase of 150 K and above was observed.

Akbar, S. A.↗
DOE OSTI2020

Revealing Reaction Pathways of Collective Substituted Iron Fluoride Electrode for Lithium Ion Batteries

Metal fluorides present a high redox potential among the conversion-type compounds, which make them specially work as cathode materials of lithium ion batteries. To mitigate the notorious cycling instability of conversion-type materials, substitutions of anion and cation have been proposed but the role of foreign elements in reaction pathway is not fully evaluated. In this work, we explored the lithiation pathway of a rutile-Fe 0.9 Co 0.1 OF cathode with multimodal analysis, including ex situ and in situ transmission electron microscopy and synchrotron X-ray techniques. Our work revealed a prolonged intercalation–extrusion–cation disordering process during phase transformations from the rutile phase to rocksalt phase, which microscopically corresponds to topotactic rearrangement of Fe/Co–O/F octahedra. During this process, the diffusion channels of lithium transformed from 3D to 2D while the corner-sharing octahedron changed to edge-sharing octahedron. DFT calculations indicate that the Co and O cosubstitution of the Fe 0.9 Co 0.1 OF cathode can improve its structural stability by stabilizing the thermodynamic semistable phases and reducing the thermodynamic potentials. We anticipate that our study will inspire further explorations on untraditional intercalation systems for secondary battery applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Enhanced polymorph metastability drives glycine nucleation in aqueous salt solutions

Crystal nucleation from aqueous solutions influences countless geological, biochemical, astrophysical, environmental, and materials science–related phenomena, including ice formation, the manufacturing of active pharmaceutical ingredients, development of diseases such as Alzheimer’s and the origin of life itself. Understanding and controlling nucleation is essential for designing materials with specific properties, developing strategies to inhibit or promote crystallization in various contexts and preventing pathological aggregation in neurodegenerative diseases. Similar to the protein structure prediction problem—where a single amino acid sequence can in theory adopt one most stable conformation but in practice may sample multiple competing conformations—crystal nucleation faces a parallel challenge: the same chemical species can form diverse polymorphs under different environmental conditions (e.g., temperature, pressure, solvent). Each polymorph presents its own set of physical and chemical properties, highlighting the importance of understanding and controlling polymorph selection in fields ranging from pharmaceuticals to materials design. Despite advances in experimental and computational methods for studying phase transitions and polymorph stability, nucleation remains challenging due to its nanoscale nature. Furthermore, in practical settings, salts and impurities can further influence crystal nucleation in diverse contexts, from scaling in pipelines and desalination plants to the durability of concrete and the efficiency of battery materials. This can lead to the formation of polymorphs that may differ from the most stable phase in pure solutions. Or, even though the final structure might appear same irrespective of whether the environment contained impurities or not, the mechanism through which it was formed might be completely different and not intuitive.

Wang, Ruiyu [University of Maryland, College Park,↗
DOE OSTI2025

Cosmological perturbations from a new approach to inflation

In a previous paper, we proposed a new approach to the beginning of inflation—a lingering universe [Melcher et al. Phys. Rev. D 110, 063517 (2024).]—that is a quasistatic phase prior to inflation. The Universe begins in a lingering state with a nearly vanishing Hubble parameter. This calls into question the absolute age of the Universe, as the Hubble time can be nearly infinite. It also provides promise for addressing the initial singularity of inflation and issues with quantum field theory in de Sitter spacetime. Such models arise in classical cosmologies with nonvanishing spatial curvature (inspired by PLANCK 2018 data) and independently by models that arise in string cosmology. Here, in this paper, we consider the importance of cosmological perturbations for the stability of the lingering phase and how this influences cosmological observations. Our goal is to establish observables in this new paradigm for the origin of inflation, which is in contrast to eternal inflation and cyclic cosmologies. We also address questions of stability and the transition to inflation.

cosmology↗
DOE OSTI2022

Exploring the Promise of Multifunctional “Zintl-Phase-Forming” Electrolytes for Si-Based Full Cells

Li-M-Si ternary Zintl phases have gained attention recently due to their high structural stability, which can improve the cycling stability compared to a bulk Si electrode. Adding multivalent cation salts (such as Mg 2+ and Ca 2+ ) in the electrolyte was proven to be a simple way to form Li-M-Si ternary phases in situ in Si-based Li-ion cells. To explore the promise of Zintl-phaseforming electrolytes, we systematically investigated their application in pouch cells via electrochemical and multiscale postmortem analysis. The introduction of multivalent cations, such as Mg 2+ , during charging can form Li x M y Si ternary phases. They can stabilize Si anions and reduce side reactions with electrolyte, improving the bulk stability. More importantly, Mg 2+ and Ca 2+ incorporate into interfacial side reactions and generate inorganic-rich solid- electrolyte interphase, thus enhancing the interfacial stability. Therefore, the full cells with Zintl-phase-forming electrolytes achieve higher capacity retentions at the C/3 rate after 100 cycles, compared to a baseline electrolyte. Additionally, strategies for mitigating the electrode-level fractures of Si were evaluated to make the best use of Zintl-phase-forming electrolytes. In conclusion, this work highlights the significance of synergistic impact of multifunctional additives to stabilize both bulk and interface chemistry in high-energy Si anode materials for Li-ion batteries.

25 ENERGY STORAGE↗