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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Resilience of the Aurivillius structure upon La and Cr doping in a Bi 5 Ti 3 FeO 15 multiferroic

Here, combining the experimental techniques of high-resolution X-ray diffraction, magnetometry, specific heat measurement, and X-ray photoelectron, Raman and dielectric spectroscopy techniques, we have studied the influence of La and Cr doping on the crystal structure and magnetism of the room temperature Aurivillius multiferroic Bi 5 Ti 3 FeO 15 by investigating the physical properties of (Bi 4 La)Ti 3 FeO 15 and Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 . The parent (Bi 5 Ti 3 FeO 15 ) and the doped ((Bi 4 La)Ti 3 FeO 15 and Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 ) compounds crystallize in the A2 1 am space group, which is confirmed through our analysis of high-resolution synchrotron X-ray diffraction data obtained on phase-pure polycrystalline powders. We determined the oxidation states of the metal atoms in the studied compounds as Fe 3+ , Ti 4+ , Cr 3+ , and La 3+ through the analysis of X-ray photoelectron spectroscopy data. The magnetic susceptibilities of the three compounds are marked by the absence of a long-range ordered ground state, but dominated by superparamagnetic clusters with dominant antiferromagnetic interactions. This signature of short-range magnetism is also seen in specific heat as a low temperature enhancement which is suppressed upon the application of external magnetic fields up to 8 T. Our dielectric spectroscopy experiments showed that the three studied compounds display similar features in the dielectric constant measured as a function of frequency. However, upon doping La at the Bi site, the width of the ferroelectric hysteresis loop increases for (Bi 4 La)Ti 3 FeO 15 compared to that of the parent compound Bi 5 Ti 3 FeO 15 , and with Cr doping, Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 becomes a leaky dielectric. The resilience of the Aurivillius crystal structure towards doping of La at the Bi site and Cr at the Fe site is clearly seen in the bulk properties of magnetic susceptibility, specific heat and the average crystal structure. The relevance of changes in the local structure is evident from our Raman spectroscopy and X-ray pair distribution function studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spectrally filtered ps–ns emission dynamics of atmospheric-pressure nanosecond pulsed plasmas

The temporal dynamics of atmospheric-pressure nanosecond pulsed plasma discharges in a pin-to-pin electrode configuration are studied using streak-camera line imaging of the interelectrode gap with a time resolution as short as ~25 ps. Discharge emission initiates homogeneously throughout the interelectrode gap with no detectable streamer propagation and then temporally decays in two distinct phases. Plasma emission bands attributed to various electronic transitions are tracked for single discharges in air and N 2 . Spectral filtering of the excited molecular states reveals that the N 2 (C–B) and N 2 (B–A) emission bands evolve in distinct early and late phases, respectively, with a time separation of ~15–20 ns. Furthermore, significant differences in the temporal dynamics of plasma discharges in air and N2 are observed. High levels of excited-state atomic oxygen and NO appear after the initial decay of the N 2 (C) state and coincide primarily with the latter phases of plasma evolution in air environments. From temporal traces of discharge emission, the formation and relaxation timescales of the electronically excited states of N 2 are quantified in pure N2 and air environments with sub-nanosecond resolution. The streak-OES (optical emission spectroscopy) technique enables quantitative time-resolved studies of key chemical species for model validation in ultra-short-pulsed plasmas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Integrated modeling of RF-induced tungsten erosion at ICRH antenna structures in the WEST tokamak *

This paper introduces STRIPE (Simulated Transport of RF Impurity Production and Emission), an advanced modeling framework developed to analyze material erosion and the global transport of eroded impurities originating from radio-frequency (RF) antenna structures in magnetic confinement fusion devices. STRIPE integrates multiple physics modules: SolEdge3x for scrape-off-layer plasma profiles, COMSOL for 3D RF rectified sheath potentials, RustBCA for erosion yields and surface interactions, and global impurity transport for 3D ion energy-angle distributions and impurity transport. The framework is applied to an ion cyclotron RF-heated L-mode discharge (#57877) in the WEST tokamak, where it predicts a thirty-fold increase in gross tungsten erosion at antenna limiters during the transition from ohmic to ICRH operation. Additionally, under ICRH conditions, a tenfold enhancement in erosion is observed when comparing RF sheath effects to purely thermal sheath conditions. High-charge-state oxygen ions ($\mathrm{O}$ 6+ and above) are identified as the dominant contributors to tungsten sputtering. To validate the model, a synthetic diagnostic tool based on inverse photon efficiency (S/XB coefficients) from the ColRadPy collisional-radiative model enables direct comparison with spectroscopic measurements. Model predictions using a plasma composition of 1% oxygen and 99% deuterium show good agreement with observed W − I (400.9 nm) emission for discharge #57877, supporting the accuracy of the STRIPE framework. This study focuses specifically on gross erosion calculations to demonstrate STRIPE’s capabilities. Future extensions of this work will incorporate net erosion, re-deposition, self-sputtering effects, and whole-device modeling of sputtered tungsten impurity transport. STRIPE is also being applied to other RF-heated linear and toroidal devices, offering valuable insights for antenna design, impurity control, and performance optimization in next-generation fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Synthesis of mesoporous silica using a mineral silica source

Abstract Mesoporous silica has been applied in catalysis, separations, and drug delivery. It has generally been made using organosilicon precursors such as tetraethyl orthosilicate. For sustainability, it is necessary to find readily accessible mineral sources for making mesoporous silica. In this work, we demonstrate the successful synthesis of mesoporous silica with 10 nm average pore size using the mineral forsterite (Mg 2 SiO 4 ) as a silica source, providing a potentially cheaper and more Earth‐friendly route to making technologically important porous silica materials. Pure forsterite was synthesized by a solid‐state chemistry route at 1000°C and underwent dissolution–reprecipitation in aqueous hydrochloric acid containing the soft template surfactant, Pluronic P123. Variations of initial reaction pH (−0.2 to 0.6), reaction time (12–24 h), reaction temperature (50 to 90°C), and silica precursor (forsterite and fumed silica) were performed. The mesoporous silica aged at 70°C for 24 h had the highest porosity, with a surface area of 735 m 2 /g and a pore volume of 1.4 ml/g, comparable to mesoporous silica made using conventional starting materials. This novel geomimetic synthesis route supports the possibility of analogous formation of structured (mesoporous or zeolitic) silica in nature under abiotic or prebiotic conditions.

Materials Science↗
DOE OSTI2024

Feedback Controllability Components Analysis (FCCA) v1.0

FCCA is a linear dimensionality reduction method that find subspaces of high-dimensional time-series data that are most feedback controllable. The key innovation is to formulate an objective function that quantifies the joint cost of state reconstruction and state regulation that can be evaluated from purely observational data. To do this, it leverages the duality between controllability and observability. We provide analytic results demonstrating the validity of the cost function. We evaluated this method in both synthetic and real neural data (from multiple organisms and brain areas).

Kumar, Ankit↗
DOE OSTI2023

A Modeling Study on Ammonia and Ammonia/Hydrogen Kinetics for Gas Turbine Engines

The use of ammonia as a fuel source in gas turbine engine power cycles represents an attractive means to decarbonize the energy sector due to higher energy density and achieving liquid state at far lower pressures compared to pure hydrogen. However, due to low flammability and a propensity for high NOx emissions, its use is not without challenge. Here, a number of 0D and 1D modeling tools were utilized to study the combustion characteristics of ammonia and ammonia/hydrogen mixtures, examining basic fundamental properties such as laminar flame speed, variability among existing chemical kinetic mechanisms, and considering the use of two-stage rich-lean combustion strategies to achieve low NOx emissions.

42 ENGINEERING↗
DOE OSTI2026

Formation of Non-Doped Cubic Lithium Lanthanum Zirconium Oxide Nanofibers: Insights from In Situ Synchrotron X-Ray Scattering

This study investigates the formation mechanism of non-doped cubic lithium lanthanum zirconium oxide (c-LLZO) nanofibers using in situ synchrotron X-ray scattering techniques. Electrospun polymer precursor nanofibers were annealed at temperatures up to 800 °C, enabling real-time tracking of phase transitions via simultaneous small-angle X-ray scattering (SAXS), wide-angle X-ray scattering (WAXS), and evolved CO 2 gas analysis. The results reveal a three-step transformation pathway: polymer decomposition, formation of La 2 Zr 2 O 7 (LZO), and direct conversion of LZO to c-LLZO without intermediate tetragonal phases detected within the sensitivity of our in situ WAXS measurement. Cryo-electron energy loss spectroscopy (EELS) further elucidates the role of lithium diffusion, showing Li enrichment at fiber surfaces and Li deficiency in the interior, which stabilizes the cubic phase. This Li segregation effect in nanostructured LLZO materials extends beyond the previously reported size effect. This work advances the understanding of c-LLZO formation mechanisms and provides practical insights for optimizing synthesis routes to achieve phase-pure c-LLZO for solid-state battery applications.

LLZO phase stability↗
DOE OSTI2025

Ab Initio Molecular Dynamics Insights into Stress Corrosion Cracking and Dissolution of Metal Oxides

Oxide phases such as α-Fe2O3 (hematite) and α-Al2O3 (corundum) are highly insoluble in water; however, subcritical crack growth has been observed in humidity nonetheless. Chemically induced bond breaking at the crack tip appears unlikely due to sterically hindered molecular transport. The molecular mechanics of a crack in corundum with a reactive force field reveal minimal lattice trapping, leading to bond breaking before sufficient space opens for water transport. To address this, we model a pre-built blunt crack with space for H2O molecule adsorption at the tip and show that it reduces fracture toughness by lowering the critical J-integral. Then, we explore stress-enhanced dissolution to understand the mechanism of crack tip blunting in the oxide/water system. Density functional theory combined with metadynamics was employed to describe atomic dissolution from flat hematite and corundum surfaces in pure water. Strain accelerates dissolution, stabilizing intermediate states with broken bonds before full atom detachment, while the free energy profile of unstrained surfaces is almost monotonic. The atomistic calculations provided input for a kinetic model, predicting the shape evolution of a blunt crack tip, which displays three distinct regimes: (i) dissolution primarily away from the tip, (ii) enhanced blunting near but not at the apex, and (iii) sharpening near the apex. The transition between regimes occurs at a low strain, highlighting the critical role of water in the subcritical crack growth of oxide scales, with dissolution as the fundamental microscopic mechanism behind this process.

Chemistry↗
NASA NTRS1974

Steady state decoupling and design of linear multivariable systems

A constructive criterion for decoupling the steady states of linear multivariable systems is developed. The criterion consists of n(n-1) inequalities with the type numbers of the compensator transfer functions as the unknowns. These unknowns can be chosen to satisfy the inequalities and hence achieve a steady state decoupling scheme. It turns out that pure integrators in the loops play an important role. An extended root locus design method is then developed to take care of the stability and transient response. The overall procedure is applied to the compensation design for STOL C-8A aircraft in the approach mode.

Huang, J. Y.↗
NASA NTRS1974

Magnetization and magnetic entropy of Dy2Ti2O7

Isothermal measurements of the magnetic entropy, magnetization, and differential susceptibility of Dy2Ti2O7 have been made. Absolute values of magnetic entropy have been determined as a function of applied magnetic field for several temperatures in the range 2-20 K, and several isofield lines in the magnetic entropy-temperature plane have been determined. Magnetization measurements, which extended into the saturation region, yield a powder-average magnetic moment of about 4.7 Bohr magnetons per ion. A van Vleck contribution to M was also observed. The results are consistent with the assumption of a nearly pure Jz equals + or - 15/2 ground-state Kramers doublet for the Dy(+++) ion. Comments on the suitability of Dy2Ti2O7 for use in a magnetic refrigerator cycling between 4.2 and 20 K are included.

Flood, D. J.↗
NASA NTRS1975

Lifetimes for OH and OD electronic states with resonance transitions in the region between 1700 and 1950 A

The upper states of the OH and OD bands in the region between 1700 and 1950 A have been studied with a phase-shift radiative lifetime apparatus. Lifetimes varying from 1.8 to 2.9 ns have been found. Lifetimes for OH and OD are essentially the same, indicating that the upper states are likely to be depopulated via purely radiative processes under the present experimental conditions. Lifetimes have also been obtained for the C(2)Sigma(+) - A(2)Sigma(+) transition in OH and OD. These results are consistent with the preliminary analysis of Pryce (private communication) that the bands between 1700 and 1950 A in OH are partly due to the C(2)Sigma(+) - X(2)Pi sub i transition.

Smith, W. H.↗
NASA NTRS1982

Infrared absorption by OH containing compounds

The spectroscopy of the species H2O, H2O2, and HO2 are discussed. Their vibration rotation transitions are emphasized, but the pure rotational transitions in the vibrational ground state of H2O are also considered since they contribute to opacity in the middle infrared region.

Hillman, J. J.↗
NASA NTRS1987

Excitation of the OI (3s 5S0-3p 5P; lambda 7774 A) multiplet by electron impact on O2

Electron impact on O2 has been employed to ascertain the absolute cross-section value and emission linewidths of the OI (3s 5S0-3p 5P; 7774 A) multiplet. The emission linewidths are highly Doppler-broadened in dissociative excitation, and display two distinct kinetic energy distributions: which indicate that both purely repulsive and discrete, bound, excited molecular states, which then predissociate, are involved in the dissociation process that leads to the excitation of OI 7774 A. The magnitude of the measured cross-section and the fragment kinetic energy distribution both indicate that the previous time-of-flight studies of the metastable OI (5S0) state require reinterpretation.

Erdman, P. W.↗
NASA NTRS1999

Infrared Space Observatory Observations of Far-Infrared Rotational Emission Lines of Water Vapor Toward the Supergiant Star VY Canis Majoris

We report the detection of numerous far-infrared emission lines of water vapor toward the supergiant star VY Canis Majoris. A 29.5-45 micron grating scan of VY CMa, obtained using the Short-Wavelength Spectrometer (SWS) of the Infrared Space Observatory at a spectral resolving power lambda/delat.lambda of approximately 2000, reveals at least 41 spectral features due to water vapor that together radiate a total luminosity of approximately 25 solar luminosity . In addition to pure rotational transitions within the ground vibrational state, these features include rotational transitions within the (010) excited vibrational state. The spectrum also shows the (sup 2)product(sub 1/2) (J = 5/2) left arrow (sup 2)product(sub 3/2) (J = 3/2) OH feature near 34.6 micron in absorption. Additional SWS observations of VY CMa were carried out in the instrument's Fabry-Perot mode for three water transitions: the 7(sub 25)-6(sub 16) line at 29.8367 micron, the 4(sub 41)-3(sub 12) line at 31.7721 micron, and the 4(sub 32)-3(sub 03) line at 40.6909 micron. The higher spectral resolving power lambda/delta.lambda of approximately 30,000 thereby obtained permits the line profiles to be resolved spectrally for the first time and reveals the "P Cygni" profiles that are characteristic of emission from an outflowing envelope.

Neufeld, David A.↗
NASA NTRS2001

Thermodynamic Database for the NdO(1.5)-YO(1.5)-YbO(1.5)-ScO(1.5)-ZrO2 System

A database for YO(1.5)-NdO(1.5)-YbO(1.5)-ScO(1.5)-ZrO2 for ThermoCalc (ThermoCalc AB, Stockholm, Sweden) has been developed. The basis of this work is the YO(1.5)-ZrO2 assessment by Y. Du, Z. Jin, and P. Huang, 'Thermodynamic Assessment of the ZrO2-YO(1.5) System'. Experimentally only the YO(1.5)-ZrO2 system has been well-studied. All other systems are only approximately known. The major simplification in this work is the treatment of each single cation unit as a component. The pure liquid oxides are taken as reference states and two term lattice stability descriptions are used for each of the components. The limited experimental phase diagrams are reproduced.

Jacobson, Nathan S.↗
NASA NTRS2009

Angle of Attack Modulation for Mars Entry Terminal State Optimization

From the perspective of atmospheric entry, descent, and landing (EDL), one of the most foreboding destinations in the solar system is Mars due in part to its exceedingly thin atmosphere. To benchmark best possible scenarios for evaluation of potential Mars EDL system designs, a study is conducted to optimize the entry-to-terminal-state portion of EDL for a variety of entry velocities and vehicle masses, focusing on the identification of potential benefits of enabling angle of attack modulation. The terminal state is envisioned as one appropriate for the initiation of terminal descent via parachute or other means. A particle swarm optimizer varies entry flight path angle, ten bank profile points, and ten angle of attack profile points to find maximum-final-altitude trajectories for a 10 30 m ellipsled at 180 different combinations of values for entry mass, entry velocity, terminal Mach number, and minimum allowable altitude. Parametric plots of maximum achievable altitude are shown, as are examples of optimized trajectories. It is shown that appreciable terminal state altitude gains (2.5-4.0 km) over pure bank angle control may be possible if angle of attack modulation is enabled for Mars entry vehicles. Gains of this magnitude could prove to be enabling for missions requiring high-altitude landing sites. Conclusions are also drawn regarding trends in the bank and angle of attack profiles that produce the optimal trajectories in this study, and directions for future work are identified.

Lafleur, Jarret M.↗
NASA NTRS2019

Chemistry and Crystallography of Diagenetic, Authigenic, and Igneous Potassium Feldspar: Implications for Sedimentary Petrology in Gale Crater, Mars

The Mars Science Laboratory Curiosity’s Chemistry and Mineralogy (CheMin) instrument performed X-ray diffraction (XRD) analysis of Gale Crater drill sample Windjana and found 21 wt.% nearly pure potassium feldspar in the disordered structural state of high-sanidine. The source of sanidine in Windjana is not clear – it could be detrital igneous, hydrothermal, or authigenic, with each possible source representing widely different implications for the sedimentary history of Gale Crater and igneous evolution of sediment sources. Here, we try to constrain the origin of the Windjana sanidine by determining unit-cell (UC) parameters and compositions of sanidines from a range of environments on Earth.

Ott, J. P.↗