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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Amphiphilic Polyphosphazene for Fluorocarbon Emulsion Stabilization

High internal phase emulsions (HIPEs) have been of great interest for fabricating fluorinated porous polymers having controlled pore structures and excellent physicochemical properties. However, it remains a challenge to prepare stable fluorocarbon HIPEs, due to the lack of suitable surfactants. By randomly grating hydrophilic and fluorophilic side chains to polyphosphazene (PPZ), a comb-like amphiphilic PPZ surfactant with biodegradability is designed and synthesized for stabilizing water/fluorocarbon oil-based emulsions. The hydrophilic–lipophilic balance of PPZs can be controlled by tuning the grating ratio of the two side chains, leading to the preparation of stable water-in-oil HIPEs and oil-in-water emulsions, and the production of fluorinated porous polymers and particles by polymerizing the oil phase. Finally, these fluorinated porous polymers show excellent thermal stability and, due to the hydrophobicity and porous structure, applications in the field of oil/water separation can be achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Spin polarization in one dimensional ring with Rashba spin-orbit interaction

We investigate theoretically spin polarization in a square AB ring and in a circular AB ring with the Rashba spin-orbit interaction (RSOI) and the magnetic flux. It is shown that in the presence of both the RSOI and the perpendicular magnetic field, the AB rings can work as a spin polarizer, and the spin polarization transport can be modulated by the values of the system parameters. In addition, we find that the square ring is more suitable for a spin polarizer due to its higher stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory

This study examines the dependence of the polyradical character of charged quasi-linear n-acenes and two-dimensional periacenes used as models for graphene nanoribbons in comparison to the corresponding neutral compounds. For this purpose, high-level ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory. Vertical ionization energies and electron affinities have been computed. Systematic tests show that the dependence on chain length of these quantities can be obtained from a consideration of the π system only and that remaining contributions coming from the σ orbitals or extended basis sets remain fairly constant. Using best estimate values, the experimental values for the ionization energy of the acene series can be reproduced within 0.1 eV and the experimental electron affinities within 0.4 V. The analysis of the natural orbital occupations and related unpaired electron densities shows that the ionic species exhibit a significant decrease in polyradical character and thus an increased chemical stability as compared to the neutral state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Study on the dynamic holdup distribution of the pulsed extraction column

In the study, a CSTR cascade dynamic hydraulic model was developed to investigate the dynamic holdup distribution of the pulsed extraction column. It is assumed that the dynamic process of the dispersed phase holdup of pulsed extraction column has equal effects with the operational process of multiple cascade CSTRs. The process is consistent with the following assumptions: the holdups vary on different stages but maintain uniform on each stage; the changes of the hydraulic parameters have impact initially on the inlet of dispersed phase, and stability will be reached gradually through stage-by-stage blending. The model was tested and verified utilizing time domain response curves of the average holdup. Nearly 150 experiments were carried out with different capillary columns, various feed liquids, and diverse continuous phases and under different operation conditions. The regression curves developed by the model show a good consistency with the experimental results. After linking parameters of the model with operational conditions, the study further found that the parameters are only linearly correlated with pulse conditions and have nothing to do with flow rate for a specific pulsed extraction column. The accuracy of the model is measured by the average holdup, and the absolute error is ±0.01. The model can provide supports for the boundary studies on hydraulics and mass transfer by making simple and reliable prediction of the dynamic holdup distribution, with relatively less accessible hydraulic experimental data. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

ELM-free H-mode phase and decoupling of peeling–ballooning stability boundary in the MAST Upgrade tokamak

A linear magnetohydrodynamic (MHD) peeling–ballooning stability analysis of the edge-localized mode (ELM)-free phase of a MAST Upgrade (MAST-U) H-mode plasma is presented. In contrast to other similar discharges, #47018 is found to have a significantly higher and wider pedestal during its ELM-free H-mode phase that lasts for approximately 80 ms; this is made possible by the reduced core MHD mode activity on the q = 2 surface. During this period, there is sustained decoupling of peeling and ballooning branches of the stability boundary on J–α space, opening an access channel to the second stability regime with higher peaks in pedestal current density $J_{\mathrm{N,ped}}$ and pressure gradient (α). Such decoupling of the stability boundary has not previously been observed in MAST-U H-modes, and if such a condition can be readily reproduced, it opens a wide range of opportunities for MAST-U to explore low-collisionality peeling-limited pedestal regimes as well as advanced scenarios such as quiescent H-modes that are relevant to future reactors such as STEP and ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Kinetics of amorphous defect phases measured through ultrafast nanocalorimetry

Recognition of the role of extended defects on local phase transitions has led to the conceptualization of the defect phase, localized thermodynamically stable interfacial states that have since been applied in a myriad of material systems to realize significant enhancements in material properties. Here, we explore the kinetics of grain boundary confined amorphous defect phases, utilizing the high temperature and scanning rates afforded by ultrafast differential scanning calorimetry to apply targeted annealing/quenching treatments at high rates capable of capturing the kinetic behavior. Four Al-based nanocrystalline alloys, including two binary systems, Al–Ni and Al–Y, and two ternary systems, Al–Mg–Y and Al–Ni–Y, are selected to probe the materials design space (enthalpy of mixing, enthalpy of segregation, chemical complexity) for amorphous defect phase formation and stability, with correlative transmission electron microscopy applied to link phase evolution and grain stability to nanocalorimetry signatures. A series of targeted isothermal annealing heat treatments is utilized to construct a Time–Temperature-Transformation curve for the Al–Ni system, from which a critical cooling rate of 2400 °C/s was determined for the grain boundary confined disordered-to-ordered transition. Finally, a thermal profile consisting of 1000 repeated annealing sequences was created to quantify the recovery of the amorphous defect phase following sequential annealing treatments, with results indicating remarkable microstructural stability after annealing at temperatures above 90% of the melting temperature. This work contributes to a deeper understanding of grain boundary localized thermodynamics and kinetics, with potential implications for the design and optimization of advanced materials with enhanced stability and performance.

Amorphous defect phases↗
DOE OSTI2023

Origin of age softening in the refractory high-entropy alloys

Refractory high-entropy alloys (RHEAs) are emerging materials with potential for use under extreme conditions. As a newly developed material system, a comprehensive understanding of their long-term stability under potential service temperatures remains to be established. This study examined a titanium-vanadium-niobium-tantalum alloy, a promising RHEA known for its superior high-temperature strength and room-temperature ductility. Using a combination of advanced analytical microscopies, Calculation of Phase Diagrams (CALPHAD) software, and nanoindentation, we investigated the evolution of its microstructure and mechanical properties upon aging at 700°C. Trace interstitials such as oxygen and nitrogen, initially contributing to solid solution strengthening, promote phase segregation during thermal aging. As a result of the depletion of solute interstitials within the metal matrix, a progressive softening is observed in the alloy as a function of aging time. This study, therefore, underscores the need for a better control of impurities in future development and application of RHEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis of Cu-Fe{sub 3}O{sub 4}@graphene composite: A magnetically separable and efficient catalyst for the reduction of 4-nitrophenol

Highlights: • The Cu-Fe{sub 3}O{sub 4}@GE composite was prepared by one-step solvent–thermal method. • The Cu-Fe{sub 3}O{sub 4}@GE composite exhibited the highest catalytic activity with excellent stability. • The Cu-Fe{sub 3}O{sub 4}@GE composite was magnetically separable. - Abstract: In this work, the Cu-Fe{sub 3}O{sub 4}@GE composite was prepared easily by a one-step solvent–thermal method, which achieved the formation of Cu nanoparticles (Cu NPs), Fe{sub 3}O{sub 4} nanoparticles (Fe{sub 3}O{sub 4} NPs) and reduction of GO simultaneously. The morphology and structure of the composite was fully characterized by means of X-ray diffraction (XRD), Fourier transformed infrared (FTIR) spectroscopy, transmission electron microscopy (TEM). The time-dependent adsorption spectra of the reaction mixture was measured by UV–vis absorption spectroscopy. The results demonstrated that the Cu NPs and Fe{sub 3}O{sub 4} NPs were densely and evenly deposited on the graphene (GE) sheets. It was found that the Cu-Fe{sub 3}O{sub 4}@GE composite exhibited high catalytic activities on the reduction of p-nitrophenol to p-aminophenol. Furthermore, the composite catalyst can be easily recovered due to its magnetic separability and high stability.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Facile synthesis and electrochemical performance of Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} nanocomposite for lithium-ion batteries

Graphical abstract: TEM of Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite and the discharge curves of pure Co{sub 3}O{sub 4}, pure Co{sub 2}SnO{sub 4} and Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite. - Highlights: • Novel Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite has been prepared by simple co-precipitation method. • Small spherical nanocrystals adhering to the surface of large polyhedral particles. • Formation mechanism is relate to solubility of Sn(OH){sub 6}{sup 2−} in high concentration OH{sup −} . • The composite shows better electrochemical performance than Co{sub 2}SnO{sub 4} and Co{sub 3}O{sub 4} - Abstract: A novel dispersed structure Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite has been successfully synthesized by a conventional co-precipitation method with certain amount of NaOH concentration. The obtained composite exhibits dispersed structure with small spherical nanocrystals adhering to the surface of large polyhedral particles, which has been studied as an anode material in lithium-ion battery. Galvanostatic charge–discharge and cyclic voltammetry has been conducted to measure the electrochemical properties of the material. The results show that Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite demonstrates good reversible capacity of 702.5 mA h g{sup −1} after 50 cycles at a current density of 100 mA h g{sup −1}, much better than that of pure Co{sub 3}O{sub 4} (375.1 mA h g{sup −1}) and pure Co{sub 2}SnO{sub 4} (194.1 mA h g{sup −1}). This material also presents improved rate performance with capacity retention of 71.1% when the current ranges from 100 mA g{sup −1} to 1000 mA g{sup −1}. The excellent electrochemical performance of the as-prepared dispersed structure Co{sub 2}SnO{sub 4}/Co{sub 3}O{sub 4} composite could be attributed to the good dispersibility of nanoparticles which can effectively alleviate the volume expansion and improve the conductivity, thus enhance the cycling stability.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Highly stable thin film transistors using multilayer channel structure

We report highly stable gate-bias stress performance of thin film transistors (TFTs) using zinc oxide (ZnO)/hafnium oxide (HfO{sub 2}) multilayer structure as the channel layer. Positive and negative gate-bias stress stability of the TFTs was measured at room temperature and at 60 °C. A tremendous improvement in gate-bias stress stability was obtained in case of the TFT with multiple layers of ZnO embedded between HfO{sub 2} layers compared to the TFT with a single layer of ZnO as the semiconductor. The ultra-thin HfO{sub 2} layers act as passivation layers, which prevent the adsorption of oxygen and water molecules in the ZnO layer and hence significantly improve the gate-bias stress stability of ZnO TFTs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study

The finite-temperature phase diagram of hydrogen in the region of phase IV and its neighborhood was studied using the ab initio molecular dynamics (MD) and the ab initio path-integral molecular dynamics (PIMD). The electronic structures were analyzed using the density-functional theory (DFT), the random-phase approximation, and the diffusion Monte Carlo (DMC) methods. Taking the state-of-the-art DMC results as benchmark, comparisons of the energy differences between structures generated from the MD and PIMD simulations, with molecular and dissociated hydrogens, respectively, in the weak molecular layers of phase IV, indicate that standard functionals in DFT tend to underestimate the dissociation barrier of the weak molecular layers in this mixed phase. Because of this underestimation, inclusion of the quantum nuclear effects (QNEs) in PIMD using electronic structures generated with these functionals leads to artificially dissociated hydrogen layers in phase IV and an error compensation between the neglect of QNEs and the deficiencies of these functionals in standard ab initio MD simulations exists. This analysis partly rationalizes why earlier ab initio MD simulations complement so well the experimental observations. The temperature and pressure dependencies for the stability of phase IV were also studied in the end and compared with earlier results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Real time monitoring of superparamagnetic nanoparticle self-assembly on surfaces of magnetic recording media

Nanoparticle self-assembly dynamics are monitored in real-time by detecting optical diffraction from an all-nanoparticle grating as it self-assembles on a grating pattern recorded on a magnetic medium. The diffraction efficiency strongly depends on concentration, pH, and colloidal stability of nanoparticle suspensions, demonstrating the nanoparticle self-assembly process is highly tunable. This metrology could provide an alternative for detecting nanoparticle properties such as colloidal stability.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Polystyrene/MoS{sub 2}@oleylamine nanocomposites

The effects of adding different concentrations of MoS{sub 2}@oleylamine nano particles on the thermal and mechanical properties of polystyrene (PS) nanocomposites have been investigated. X-ray diffraction and optical microscopy were used to characterize the morphology of the resulting nanocomposites. The thermal stability of the nanocomposites has been characterized by thermogravimetric analysis. It has been found that the MoS{sub 2}@oleylamine nanoparticles have a good compatibility with the PS matrix forming homogeneous dispersion even at high concentrations. The PS/MoS{sub 2}@oleylamine nanocomposites showed enhanced thermal stability in comparison with neat polystyrene.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Control of Y₂O₃ phase and its nanostructure formation through a very high energy mechanical milling

The formation behavior of Y₂O₃ ceramic particles was studied by employing a very high energy ball milling (milling energy: ~165 kJ/g·hit, milling speed: 1000 rpm). Both the XRD and HRTEM studies revealed that the high impact strain energy generated during the milling caused a drastic phase transition from the original C-type cubic (space group Ia3, a=10.58 Å) to the metastable B-type monoclinic (space group C2/m, a=13.89 Å), finally followed by a partial solid-state amorphization. The cubic phase was difficult to be reduced down to smaller than 10 nm, while the monoclinic phase was stabilized at sizes smaller than 10 nm with a mean crystallite size of 7.57 nm. Consequently, the existence of Y₂O₃ at a nanoscale smaller than 10 nm is possible by forming metastable monoclinic crystals, which are strain-induced. - Graphical abstract: The fig shows the solid-state phase formation of Y₂O₃ by very high energy input into the particles during milling: ordered body-centered cubic phase (space group Ia3, a=10.58 Å) nanocrystalline monoclinic phase (space group C2/m, a=13.89 Å) disordered monoclinic phase partial amorphous phase. The formation of Y₂O₃ smaller than 10 nm was strongly dependent on whether the phase transition from cubic to monoclinic occurred. Highlights: • This paper analyses very high energy milling behavior of coarse Y₂O₃ particles. • A drastic phase transition from cubic to monoclinic occurred with a partial amorphization. • An existence of Y₂O₃ smaller than 10 nm is possible by forming strain-induced monoclinic crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Pd-Cu/poly(o-Anisidine) nanocomposite as an efficient catalyst for formaldehyde oxidation

Highlights: • o-Anisidine monomer was electro-polymerized at the pCPE surface in acid medium. • Palladium/copper NPs were prepared by galvanic replacement method at the POA/pCPE. • Pd-Cu NPs showed excellent electrocatalytic activity towards formaldehyde oxidation. • The bimetallic Pd-Cu NPs/POA nanocomposite showed satisfactory long-term stability. - Abstract: In this work, for the first time, the electrocatalytic oxidation of formaldehyde in 0.5 M sulfuric acid solution at spherical bimetallic palladium-copper nanoparticles (Pd-Cu NPs) deposited on the poly (o-Anisidine) film modified electrochemically pretreated carbon paste electrode (POA/pCPE) has been investigated. Highly porous POA film prepared by electropolymerization onto the pCPE was used as a potent support for deposition of the Pd-Cu NPs. The Pd-Cu NPs were prepared through spontaneous and irreversible reaction via galvanic replacement between Pd{sup II} ions and the Cu{sup 0} particles. The prepared Pd-Cu NPs were characterized by scanning electron microscopy, energy dispersive spectroscopy and electrochemical methods. The obtained results showed that the utilization of Cu nanoparticles and pretreatment technique enhances the electrocatalytic activity of the modified electrode towards formaldehyde oxidation. The influence of several parameters on formaldehyde oxidation as well as stability of the Pd-Cu/POA/pCPE has been investigated.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Measuring Extended Structure in Stars Using the Keck Interferometer Nuller

The Keck Interferometer Nuller is designed to detect faint off-axis mid-infrared light a few tens to a few hundreds of milliarcseconds from a bright central star. The starlight is suppressed by destructive combination along the long (85 m) baseline, which produces a fringe spacing of 25 mas at a wavelength of 10 m, with the central null crossing the position of the star. The strong, variable mid-infrared background is subtracted using interferometric phase chopping along the short (5 m) baseline. This paper presents an overview of the observing and data reduction strategies used to produce a calibrated measurement of the off-axis light. During the observations, the instrument cycles rapidly through several calibration and measurement steps, in order to monitor and stabilize the phases of the fringes produced by the various baselines, and to derive the fringe intensity at the constructive peak and destructive null along the long baseline. The data analysis involves removing biases and coherently demodulating the short-baseline fringe with the long-baseline fringe tuned to alternate between constructive and destructive phases, combining the results of many measurements to improve the sensitivity, and estimating the part of the null leakage signal which is associated with the finite angular size of the central star. Comparison of the results of null measurements on science target and calibrator stars permits the instrumental leakage - the "system null leakage" - to be removed and the off-axis light to be measured.

nulling interferometry↗
DOE OSTI2014

Electrodeposited manganese dioxide nanostructures on electro-etched carbon fibers: High performance materials for supercapacitor applications

Highlights: • We report a facile method for fabrication of MnO{sub 2} nanostructures on electro-etched carbon fiber. • MnO{sub 2}-ECF electrode shows outstanding supercapacitive behavior even at high discharge rates. • Exceptional cycle stability was achieved for MnO{sub 2}-ECF electrode. • The coulombic efficiency of MnO{sub 2}-ECF electrode is nearly 100%. - Abstract: In this article we introduce a facile, low cost and additive/template free method to fabricate high-rate electrochemical capacitors. Manganese oxide nanostructures were electrodeposited on electro-etched carbon fiber substrate by applying a constant anodic current. Nanostructured MnO{sub 2} on electro-etched carbon fiber was characterized by scanning electron microscopy, X-ray diffraction and energy dispersive X-ray analysis. The electrochemical behavior of MnO{sub 2} electro-etched carbon fiber electrode was investigated by electrochemical techniques including cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. A maximum specific capacitance of 728.5 F g{sup −1} was achieved at a scan rate of 5 mV s{sup −1} for MnO{sub 2} electro-etched carbon fiber electrode. Also, this electrode showed exceptional cycle stability, suggesting that it can be considered as a good candidate for supercapacitor electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase Locking of a THz QC-VECSEL to a Microwave Reference

We report high-resolution frequency study and phase locking have been performed on a terahertz (THz) quantum-cascade vertical-external-cavity surface-emitting laser (QC-VECSEL) operating around 2.5 THz. A subharmonic diode mixer is used to down convert the THz signal to a 100 MHz intermediate frequency that is phase locked to a stable 100 MHz microwave reference. Between 90% and 95% of the QC-VECSEL signal is locked within 2 Hz of the multiplied RF reference, and amplitude fluctuations on the order of 1%–10% are observed, depending on the bias point of the QC-VECSEL. The bandwidth of the locking loop is ~1 MHz. Many noise peaks in the IF signal are observed, likely corresponding to mechanical resonances in the 10 Hz–10 kHz. These peaks are generally -30 to -60 dB below the main tone and are below the phase noise level of the multiplied RF reference that ultimately limits the phase noise of the locked QC-VECSEL.

42 ENGINEERING↗