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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum Phase Diagram and Spontaneously Emergent Topological Chiral Superconductivity in Doped Triangular-Lattice Mott Insulators

The topological superconducting state is a highly sought-after quantum state hosting topological order and Majorana excitations. Here, in this Letter, we explore the mechanism to realize the topological superconductivity (TSC) in the doped Mott insulators with time-reversal symmetry (TRS). Through large-scale density matrix renormalization group study of an extended triangular-lattice t–J model on the six- and eight-leg cylinders, we identify a d + id-wave chiral TSC with spontaneous TRS breaking, which is characterized by a Chern number C=2 and quasi-long-range superconducting order. We map out the quantum phase diagram with by tuning the next-nearest-neighbor (NNN) electron hopping and spin interaction. In the weaker NNN-coupling regime, we identify a pseudogaplike phase with a charge stripe order coexisting with fluctuating superconductivity, which can be tuned into d -wave superconductivity by increasing the doping level and system width. The TSC emerges in the intermediate-coupling regime, which has a transition to a d-wave superconducting phase with larger NNN couplings. The emergence of the TSC is driven by geometrical frustrations and hole dynamics which suppress spin correlation and charge order, leading to a topological quantum phase transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Optimizing spectral phase transfer in four-wave mixing with gas-filled capillaries

Four-wave mixing (FWM) in gas-filled hollow-core capillaries, a nonlinear optical process that mixes signal and pump photon frequencies to generate idler frequency photons, offers a method for precise spectral phase transfer from signal to idler at ultrashort timescales and extreme powers. However, this regime is challenged by competing linear and nonlinear dynamics, leading to significant trade-offs between spectral phase transfer and conversion efficiency. Our computational investigation focuses on the upconversion of femtosecond pulses from the infrared (IR) to the ultraviolet (UV), a range notoriously difficult to manipulate. We explore an intermediate energy regime that strikes an optimal balance between FWM-mediated phase-transfer fidelity and nonlinear conversion efficiency. By adjusting the energy ratios and spectral phase profiles of the input signal, we achieve conversion efficiencies of approximately 5-15% while maintaining an effective quasi-linear spectral phase transfer. These findings will contribute to establishing first-principles and scaling laws essential for applications such as high-precision imaging, spectroscopy, quantum transduction, and distributed entangled interconnects, facilitating advanced control of ultrafast photonic and electronic wavepackets in quantum materials with unprecedented spatial and temporal precision.

Zhang, Hao↗
DOE OSTI2021

Understanding Selectivity in CO2 Hydrogenation to Methanol for MoP Nanoparticle Catalysts Using In Situ Techniques

Molybdenum phosphide (MoP) catalyzes the hydrogenation of CO, CO2, and their mixtures to methanol, and it is investigated as a high-activity catalyst that overcomes deactivation issues (e.g., formate poisoning) faced by conventional transition metal catalysts. MoP as a new catalyst for hydrogenating CO2 to methanol is particularly appealing for the use of CO2 as chemical feedstock. Herein, we use a colloidal synthesis technique that connects the presence of MoP to the formation of methanol from CO2, regardless of the support being used. By conducting a systematic support study, we see that zirconia (ZrO2) has the striking ability to shift the selectivity towards methanol by increasing the rate of methanol conversion by two orders of magnitude compared to other supports, at a CO2 conversion of 1.4% and methanol selectivity of 55.4%. In situ X-ray Absorption Spectroscopy (XAS) and in situ X-ray Diffraction (XRD) indicate that under reaction conditions the catalyst is pure MoP in a partially crystalline phase. Results from Diffuse Reflectance Infrared Fourier Transform Spectroscopy coupled with Temperature Programmed Surface Reaction (DRIFTS-TPSR) point towards a highly reactive monodentate formate intermediate stabilized by the strong interaction of MoP and ZrO2. This study definitively shows that the presence of a MoP phase leads to methanol formation from CO2, regardless of support and that the formate intermediate on MoP governs methanol formation rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Single-reactor process for producing liquid-phase organic compounds from biomass

Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1985

Nonlinear forcing of planetary scale waves by amplifying unstable baroclinic eddies generated in the troposphere

The present investigation is mainly concerned with isolating the effects of wave-wave coupling on the growth of planetary-scale baroclinic modes of zonal wavenumber 1-3. It is shown that a global distribution of amplifying intermediate-scale baroclinic modes can cause rapid growth of planetary-scale modes. The growth rates of the planetary modes are found to be comparable to the growth rates of the most unstable baroclinic modes during the first 5-10 days. Thereafter the planetary waves continue to grow (albeit at a slower rate and not necessarily monotonically), and do not exhibit a decay phase as pronounced as that which is characteristic of the intermediate-scale modes.

Young, R. E.↗
NASA NTRS1987

Non-enzymatic synthesis of the coenzymes, uridine diphosphate glucose and cytidine diphosphate choline, and other phosphorylated metabolic intermediates

Using urea and cyanamide, the two condensing agents considered to have been present on the primitive earth, uridine diphosphate glucose (UDPG), cytidine diphosphate choline (CDP-choline), glucose-1-phosphate (G1P), and glucose-6-phosphate (G6P) were synthesized under simulated prebiotic conditions. The reaction products were separated and identified using paper chromatography, thin layer chromatography, enzymatic analyses, and ion-pair reverse-phase high performance liquid chromatography. The possibility of nonenzymatic synthesis of metabolic intermediates on the primitive earth from simple precursors was thus demonstrated.

Mar, A.↗
NASA NTRS1994

Steering capaciflector sensor

A capacitive type proximity sensor having substantial range and sensitivity between a machine and an intruding object in the immediate vicinity of the machine and having a steerable sensing field has an outer electrical conductor on the machine forming one electrode of a sensor capacitor, the other electrode is the object. The outer conductor is a thin sheet of conductive material with a pair (or more) of intermediate electrical conductors located between the outer conductor and the machine. The pair of intermediate electrical conductors are in close proximity to each other and together form a surface having a size substantially larger than the outer conductor to act as a shield for reducing the parasitic capacitance between the outer conductor and the machine and to steer the sensor field. The pair of intermediate conductors are thin sheets of conductive material substantially wider than the first conductor. The outer and pair of intermediate conductors are attached to a surface on the machine in electrical isolation and with no gaps between the conductors and no gap between the surface and the pair of intermediate conductors. The outer and pair of intermediate conductors are also in conformance with each other and the surface of the machine, and the surface of the machine acts as a ground plane. Variable gain voltage follower circuits are used for coupling, in phase, the instantaneous voltage at the outer electrical conductor to the pair of intermediate electrical conductors and a signal generator is coupled to the outer conductor and is responsive to the capacitance of the sensor capacitor for generating a control signal to the machine.

Jenstrom, Del T.↗
DOE OSTI2018

Microstructure and texture evolution of duplex stainless steels with different molybdenum contents

Highlights: • The 3.05Mo steel has higher resistance to strain-induced transformation than the 0.28Mo steel. • The increased Mo content affects the grain growth of austenite and ferrite due to the effects of segregation and anchoring. • At high annealing temperatures, this Mo retarding effect is weakened. • The suppression of γ-fiber development in the ferrite texture is associated with the increased Mo content. • High amounts of Mo generate unfavorable conditions for the formation of CSL boundaries. - Abstract: The microstructure and texture evolution of duplex stainless steels with different molybdenum contents were studied. For this purpose, hot-rolled 2205 and 2304 samples were solution-annealed at 1100 °C for 1800 s and then cold-rolled to a 75% thickness reduction. This was followed by an isothermal annealing at 900 and 1100 °C for 180 s. The EBSD technique was used to determine the phase ratio, crystallographic texture, and microstructural characteristics. The hot-rolled steel had a work hardened microstructure and the samples submitted to intermediate annealing presented mainly deformation-free grains. Cold rolling resulted in a substantial reduction in the phase spacing with the formation of the strain-induced α′-martensite (SIM) from the metastable austenite. After annealing at 900 °C, the ferrite grains retained the elongated shape of the cold-rolled condition and the primary recrystallization progressed in the austenite phase. Increasing the Mo content increased the resistance to strain-induced martensitic transformation and inhibited the grain growth of austenite phase during annealing at 900 °C. Increasing annealing temperature to 1100 °C promoted the coarsening of both bcc and fcc structures with the formation of annealing twins in the austenitic grains. The recrystallization kinetics and subsequent grain growth occur earlier in ferrite than in austenite phase. Differences in Mo content did not significantly alter the evolution of austenite texture, whereas in the ferrite phase the increase in Mo content suppressed the γ-fiber development. Oriented nucleation was the predominant mechanism observed during the recrystallization of ferritic grains in the 2205 samples. The development of ∑19a boundaries was associated with the selected growth of {554}<225>{sub α} grains in the annealed 2304 samples. Annealing twins were associated with the formation of Σ3 boundaries after the heat treatments. Grain coarsening resulted in a larger fraction of the special boundaries in ferrite phase but inhibited the CSL formation in the austenite phase.

36 MATERIALS SCIENCE↗
DOE OSTI2024

La 0.6 Sr 0.4 CoO 3−δ Films Under Deoxygenation: Magnetic And Electronic Transitions Are Apart from The Structural Phase Transition

Abstract Topotactic phase transitions induced by changes in the oxygen vacancy concentration can largely alter the physical properties of complex oxides, including electronic and magnetic phases, while maintaining the structural integrity of the crystal lattice. An oxygen‐vacancy‐induced topotactic phase transition from perovskite (PV) to brownmillerite (BM) is achieved in epitaxial La 0.6 Sr 0.4 CoO 3−δ (LSCO) thin films. Two novel intermediate states with different oxygen content are identified by X‐ray diffraction, which involves a single‐phase reduced PV state and a mixed state of co‐existing PV and BM. The combination of depth‐sensitive polarized neutron reflectometry (PNR) and Rutherford backscattering (RBS) allows a quantitative determination of magnetization and the mean oxygen content in all states, revealing a continuous transition from La 0.6 Sr 0.4 CoO 2.97 to La 0.6 Sr 0.4 CoO 2.5 . BM formation is observed for an LSCO layer with an oxygen content of 2.67, while the magnetic and electronic transition already occurs for a layer with a higher oxygen content of 2.77 (and above) and in the absence of a BM signature. These results demonstrate that the physics of electronic metal‐to‐insulator transition (MIT), magnetic ferromagnet‐to‐non‐ferromagnet transition (FM‐to‐non‐FM), and structural PV‐to‐BM phase transition should be considered within the framework of separate but interrelated processes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Characterization of alloy 718 subjected to different thermomechanical treatments

Chemical phase and microstructural investigations of alloy 718 solution-annealed and age-hardened were performed in this study. We focused on the effects of solution annealing temperature, aging temperature and holding time, and the amount of intermediate cold work on the alloy. We also studied the formation of secondary phases such as γ’-phase, γ”-phase, and δ-phase, grain sizes, and any deformations of the microstructure with respect to the processed conditions. Statistics such as size and number densities of these precipitates with respect to the processing conditions were evaluated and a discussion on optimum conditions in obtaining finer and higher density of γ’- and γ”-phase precipitates is also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Piezoelectric polar nanoregions and relaxation-coupled resonances in relaxor ferroelectrics

It is a generally accepted fact that the unique dielectric properties of relaxor ferroelectrics are related to the formation of polar nanoregion (PNRs). Less well recognized is the corollary that, because they are polar and therefore lack inversion symmetry, PNRs are also piezoelectric at the nanoscale and can therefore behave as nanoresonators. Using the particular relaxor ferroelectric K 1–x Li x TaO 3 (KLT), we show that, when electrically excited into oscillation, these piezoelectric nanoresonators can drive macroscopic electromechanical resonances. Unexpectedly, however, pairs of coupled resonances corresponding to a particular type of oscillation are observed, with one of the resonance exhibiting a characteristic Fano-like line shape. The complex resonance spectra can be described equally well by two alternative but complementary models both involving two resonances coupled through a relaxation: a purely classical one based on two coupled damped harmonic oscillators and a semiclassical based on two discrete excitations coupled to each other through a continuum. Together, they provide complementary perspectives on the underlying physics of the system. Both reproduce the rapid evolution of the resonance spectrum across three wide temperature ranges, including a phase transition range. In the high-temperature range, the coupling between modes is due to the collective π relaxation of the lithium ions within PNRs and, in the phase transition range, to “heterophase relaxation” of the surrounding lattice between its high-temperature cubic and low-temperature tetragonal phases, both coherent effects. Here, the coupling is suppressed in the intermediate range of the collective π/2 relaxation of the lithium ions. Incidentally, the measured dielectric spectra are shown to bear a surprising but justifiable resemblance to the optical spectra of certain atomic vapors exhibiting electromagnetically induced transparency.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Measurement-induced entanglement and teleportation on a noisy quantum processor

Measurement has a special role in quantum theory: by collapsing the wavefunction, it can enable phenomena such as teleportation and thereby alter the ‘arrow of time’ that constrains unitary evolution. When integrated in many-body dynamics, measurements can lead to emergent patterns of quantum information in space–time that go beyond the established paradigms for characterizing phases, either in or out of equilibrium. For present-day noisy intermediate-scale quantum (NISQ) processors, the experimental realization of such physics can be problematic because of hardware limitations and the stochastic nature of quantum measurement. Here we address these experimental challenges and study measurement-induced quantum information phases on up to 70 superconducting qubits. By leveraging the interchangeability of space and time, we use a duality mapping to avoid mid-circuit measurement and access different manifestations of the underlying phases, from entanglement scaling to measurement-induced teleportation. We obtain finite-sized signatures of a phase transition with a decoding protocol that correlates the experimental measurement with classical simulation data. The phases display remarkably different sensitivity to noise, and we use this disparity to turn an inherent hardware limitation into a useful diagnostic. Our work demonstrates an approach to realizing measurement-induced physics at scales that are at the limits of current NISQ processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Analysis of InGaN nanodots grown by droplet heteroepitaxy using grazing incidence small-angle X-ray scattering and electron microscopy

We present a detailed structural investigation of self-assembled indium gallium nitride nanodots grown on c-plane aluminum nitride templates by the droplet heteroepitaxy technique in a plasma-assisted molecular beam epitaxy reactor. Various growth parameters, including the total coverage of the metal species, relative and total metal effusion fluxes, and nitridation temperature were investigated. Analyses of in situ reflection high-energy electron diffraction patterns and comparison with simulations showed that the resulting crystal structure was a mixture of wurtzite and twinned zinc blende phases, with the zinc blende phase increasingly dominant for lower metal coverages and lower nitridation temperatures, and the wurtzite phase increasingly dominant for higher nitridation temperature. Studies by field emission scanning electron microscopy and atomic force microscopy revealed that the nanodots exhibit trimodal size distributions, with the dot morphologies of the intermediate size mode often resembling aggregations of distinct clusters. Nanodots grown at higher nitridation temperatures had larger inter-dot spacings, with hexagonal in-plane ordering observable at a sufficiently high temperature. Using grazing incidence small angle X-ray scattering, we determined the nanodots to be approximately truncated cone shaped, and extracted the mean radius, height, and inter-dot distance for each distribution. Microstructural investigations of the nanodots by cross-sectional transmission electron microscopy indicated that the majority of the dots were formed in dislocation-free regions, and confirmed that the intermediate size dots were approximately truncated cone shaped and consisted of both zinc blende and wurtzite regions. Mapping of the elemental distributions by energy dispersive X-ray spectroscopy in scanning transmission electron microscopy mode indicated highly nonuniform indium distributions within both small and intermediate size dots which are potentially indicative of indium clustering and kinetically controlled nanoscale phase separation rather than the spinodal decomposition associated with bulk diffusion. In conclusion, the observed enrichment in indium concentration towards the tops of the nanodot layers could be ascribed to the compositional pulling effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Catalytic influence of light element incorporation in the lattice of palladium

The alloying of metals with foreign elements is a common approach for manipulating catalytic properties of active sites. For palladium-based catalysts, incorporation of light elements receives far less attention than Pd-metal alloys even though incorporated light element are catalytically significant. Due to their small size, light elements (H, B, C, and O) can occupy octahedral sites in Pd to form an interstitial phase, while palladium adjusts its lattice to accommodate the incorporation of larger light elements (S and P) to form distinct phases. The incorporated light element modifies the electronic structure of palladium, influencing the binding energy of substrates and reactive intermediates. Pd hydride and oxide often form in situ during hydrogenation or oxidation reactions, respectively, representing the (more, less) active phase of the catalyst. Further, the reactive interstitial hydrogen dissolved in Pd tends to hydrogenate reactants completely and unselectively. Pd oxide can be the active phase for oxidation reactions, and the incorporated oxygen or oxygen vacancies may participate in the reaction directly. Incorporated light elements change geometric aspects of Pd ensembles, serving the role of site blocking, ensemble isolation, or serve as an additional active site, endowing Pd with bifunctional character. We review the synthetic approaches for incorporating light elements into the palladium lattice. We summarize the catalytic influence of light element incorporation into the palladium lattice with respect to electronic and geometric modification, in situ incorporated hydrogen and oxygen, and discuss the influence of light element incorporation into Pd on specific reactions (i.e., selective hydrogenation, oxidation, electrocatalysis, and C—C cross coupling).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Blue loops during core helium burning as the consequence of moderate convective envelope overshooting in stars of intermediate to high mass

New calculations of stellar evolutionary sequences without semiconvection in any phase have unexpectedly turned up, for stars in the mass range 3-30 solar masses, an irregular pattern of blue loops on the H-R diagram during the core helium-burning phase. Blue loops occur for 3 and 10 solar masses, but not for 5, 7, 15, and 30 solar masses. It is found, however, that the models near the bottom of the red supergiant branch are only marginallly stable against small inward displacements of the former base of the outer convection zone when it was deepest, for the stellar mass range 5-15 solar masses. As a consequence, convective envelope overshooting need only penetrate a distance of about 0.3 of a local pressure scale height to promote a delayed blue loop in these particular sequences. In conformity with previous work, the triggering mechanism for the blue loop appears to be proximity of the hydrogen-burning shell to the hydrogen discontinuity at the former base of the outer convection zone.

Stothers, Richard B.↗
NASA NTRS1989

Intermediate temperature thermomechanical processing of Al 2090 for superplasticity

The Al-Cu-Li phase diagram indicates that during thermomechanical processing of Al 2090 at 300 C both T(1) and T(2) phases will precipitate. Following work on Al-Mg-X alloys, it is possible that TMP at such temperatures might promote intragranular formation of these phases and promote microstructural refinement during recrystallization. Microstructural analyses reveal that the T(2) phase in Al 2090 may play a similar role to the beta-phase in Al-Mg-X alloys during microstructural evolution. Mechanical property data indicate that Al 2090 can be moderately (215-245 percent) superplastic at 370 C following processing at 300 C.

Hales, S. J.↗
DOE OSTI2026

Pressure-Induced Chemical Bonding Effects on Lattice and Magnetic Instabilities in Antiferromagnetic Insulating CaMn 2 Sb 2

Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and magnetic evolution of the antiferromagnetic insulator CaMn 2 Sb 2 . Single-crystal X-ray diffraction reveals a first-order phase transition near 5.4 GPa from a trigonal P-3m1 structure to a monoclinic P2 1 /m phase accompanied by a ∼7% volume collapse. Residual electron density analysis at intermediate pressures reveals charge localization along Mn–Sb chains, signaling electronic instability preceding the structural transition. Bonding analysis indicates anisotropic Mn–Sb orbital reconfiguration under pressure, driving a distorted square-pyramidal geometry. Neutron scattering confirms the transition and identifies a pressure-induced incommensurate magnetic order, distinct from the ambient antiferromagnetic state. In the monoclinic phase, zigzag Mn chains exhibit antiferromagnetic coupling along the ac-plane, enabled by enhanced orbital overlap. These results establish CaMn 2 Sb 2 as a model system for studying the coupling of structural distortion, charge redistribution, and magnetic order in layered Mn pnictides under pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗