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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dynamic flux surrogate-based partitioned methods for interface problems

Loosely coupled partitioned methods for multiphysics problems treat each subproblem as a separate entity and advance them independently in time. In so doing these methods enable code reuse, increase concurrency and provide a convenient framework for plug-and-play multiphysics simulations. However, mathematically loosely coupled schemes are equivalent to a single step of an iterative solution method, which can compromise their accuracy and stability. We present a new data-driven partitioned method for coupled parametric PDEs that can improve upon the accuracy of traditional loosely coupled methods without incurring a performance penalty. To that end, we replace conventional field transfers across the interface by a surrogate for the dynamics of the interface flux exchanged between the subdomains. To develop this surrogate we apply dynamic mode decomposition to a non-standard staggered-in-time state, comprising the interface flux and small solution patches near the interface. The new approach shifts the main computational burden to an offline training phase, whereas application of the surrogate in the online phase amounts to a single matrix–vector multiplication. In conclusion, we provide stability analysis of the surrogate-based partitioned scheme and include numerical results that demonstrate its potential.

Dynamic mode decomposition (DMD)↗
DOE OSTI2022

High-Pressure Investigation of 2,4,6-Trinitro-3-bromoanisole (TNBA): Structural Determination and Piezochromism

Understanding phase transitions in energetic materials is crucial for developing predictive models of detonation. 2,4,6-Trinitro-3-bromoanisole (TNBA), an energetic material, was studied in its single-crystal form up to pressures of 45 GPa in a diamond anvil cell. The material was characterized by using X-ray, Raman, and optical transmission measurements. From single-crystal X-ray diffraction, the ambient structure of TNBA was determined which crystallizes in the P2 1 /c space group having four molecular units per unit cell. The X-ray data up to 9.2 GPa were fitted to a third-order Birch–Murnaghan equation of state by using the parameters K o = 13.2(2.4) GPa and K p = 5.1(1.4). Between 6.8 and 7.3 GPa, a phase transition was inferred in TNBA from concurrent fading of X-ray diffraction, disappearance of Raman peaks, increase in sample fluorescence, and discontinuous color change. The new phase was consistent with an amorphous state of at least partially intact molecules judging from the presence of higher-order Raman modes and irreversibility of the Raman spectra upon release. Piezochromism was observed with the translucent yellow TNBA gradually darkening and becoming opaque black at ~25 GPa. This correlated to the absorption edge gradually shifting to the red in the visible spectrum. Signs of two possible additional structural transitions were detected in the 32.4–41.0 GPa range as suggested by a jump in the absorption edge, the irreversible changes in the absorption spectrum upon release to ambient pressure, and by the lack of Raman modes in recovered samples. Here, the crystal and electronic structures of TNBA were also investigated up to 10 GPa by using DFT calculations and crystal structure prediction (CSP) simulations. In agreement with the experimentally observed transition at 7 GPa, the simulations at 10 GPa found a bevy of polymorphs lower in enthalpy and higher in density than P2 1 /c. The lowest calculated enthalpy structure was determined to be P2 1 2 1 2 1 , being in a different space group than the ambient experimental result.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Synthesis and spectroscopic characterization of P-doped Na{sub 4}Si{sub 4}

Na{sub 4}Si{sub 4} is a Zintl salt composed of Na{sup +} cations and Si{sub 4}{sup 4-} tetrahedral anions and is a unique solid-state precursor to clathrate structures and nanomaterials. In order to provide opportunities for the synthesis of complex materials, phosphorus was explored as a possible substituent for silicon. Phosphorus doped sodium silicides Na{sub 4}Si{sub 4-x}P{sub x} (x{<=}0.04) were prepared by reaction of Na with the mechanically alloyed Si{sub 4-x}:P{sub x} (x=0.04, 0.08, 0.12) mixture in a sealed Nb tube at 650 {sup o}C for 3 days. Energy dispersive X-ray spectroscopy confirms the presence of P in all products. Powder X-ray diffraction patterns are consistent with the retention of the Na{sub 4}Si{sub 4} crystal structure. As the amount of P increases, a new peak in the diffraction pattern that can be assigned to black phosphorus is apparent above the background. Raman and solid-state NMR provide information on phosphorus substitution in the Na{sub 4}Si{sub 4} structure. Raman spectroscopy shows a shift of the most intense band assigned to the Si{sub 4}{sup 4-} {nu}{sub 1} (A{sub 1}) mode from 486.4 to 484.0 cm{sup -1} with increasing P, consistent with P replacement of Si. Differential nuclear spin-lattice relaxation for the Si sites determined via {sup 29}Si solid-state NMR provides direct evidence for Si-P bonding in the (Si{sub 1-x}P{sub x}){sup 4-} tetrahedron. The {sup 23}Na NMR shows additional Na...P interactions and the {sup 31}P NMR shows two P sites, consistent with P presence in both of the crystallographic sites in the (Si{sub 4}){sup 4-} tetrahedron. - Graphical abstract: P-doped Na{sub 4}Si{sub 4} has been prepared and Raman spectroscopy and {sup 29}Si, {sup 23}Na, and {sup 31}P multinuclear NMR show that P dopes into both crystallographic sites for Si. Display Omitted

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thickness-Tunable Self-Assembled Colloidal Nanoplatelet Films Enable Ultrathin Optical Gain Media

We propose and demonstrate construction of highly uniform, multilayered superstructures of CdSe/CdZnS core/shell colloidal nanoplatelets (NPLs) using liquid interface self-assembly. These NPLs are sequentially deposited onto a solid substrate into slabs having monolayer-precise thickness across tens of cm(2) areas. Because of near-unity surface coverage and excellent uniformity, amplified spontaneous emission (ASE) is observed from an uncharacteristically thin film having 6 NPL layers, corresponding to a mere 42 nm thickness. Furthermore, systematic studies on optical gain of these NPL superstructures having thicknesses ranging from 6 to 15 layers revealed the gradual reduction in gain threshold with increasing number of layers, along with a continuous spectral shift of the ASE peak (similar to 18 nm). These observations can be explained by the change in the optical mode confinement factor with the NPL waveguide thickness and propagation wavelength. This bottom-up construction technique for thickness-tunable, three-dimensional NPL superstructures can be used for large-area device fabrication.

Erdem, Onur↗
DOE OSTI2012

Sensitivity of transport and stability to the current profile in steady-state scenario plasmas in DIII-D

Recent experiments on DIII-D have provided the first systematic data on the impact of the current profile on the transport and stability properties of high-performance, steady-state scenario plasmas. In a future tokamak, to achieve 100% noninductive conditions and produce net power, the current profile J must be sustained by a large fraction of bootstrap current J{sub BS}, which is nonlinearly coupled with the kinetic profiles. Systematic scans of q{sub min} and q{sub 95} were performed to determine empirically the best alignment of the noninductive currents with J and the variation of the transport properties with q. Transport analysis indicates that {chi}{sub e} and {chi}{sub i} are sensitive to the details of J in a way that makes the pressure profile peaking and J{sub BS} scale nonlinearly with both q and {beta} in the experiment. Drift wave stability analysis yields linear growth rates that do not reproduce experimental trends in {chi} with q{sub min} and q{sub 95}. At high beta, necessary to maximize f{sub BS}, the plasma duration is often limited by n=1 tearing modes, whose stability also depends on the J profile. Broadly deposited electron cyclotron (EC) current at mid-radius was found to supply part of the required noninductive current and to positively affect the tearing stability. The modes appear when J{sub EC} is turned off for stable cases and always appear when the EC deposition is shifted outwards. The variation in the EC scan results is consistent with PEST3 calculations, showing that the tearing stability becomes extremely sensitive to small perturbations of the equilibrium in wall-stabilized plasmas run close to the ideal MHD limit. These modeling results are being used to design new experiments with higher ideal and tearing limits. A new capability for off-axis neutral beam injection system will be used to explore higher q{sub min} scenarios and different current alignments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Micro-Raman study on the softening and stiffening of phonons in rutile titanium dioxide film: Competing effects of structural defects, crystallite size, and lattice strain

Softening and stiffening of phonons in rutile titanium dioxide films are investigated by in situ micro-Raman studies during energetic ion irradiation. The in situ study minimized other possible mechanisms of phonon dynamics. Initial softening and broadening of Raman shift are attributed to the phonon confinement by structural defects and loss of stoichiometry. The stiffening of A{sub 1g} mode is ascribed to large distortion of TiO{sub 6} octahedra under the influence of lattice strain in the (110) plane, which gives rise to lengthening of equatorial Ti-O bond and shortening of apical Ti-O bond. The shortening of apical Ti-O bond induces stiffening of A{sub 1g} mode in the framework of the bond-order-length-strength correlation mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effect of dimensionality on the optical absorption properties of CsPbI 3 perovskite nanocrystals

The bandgaps of CsPbI 3 perovskite nanocrystals are measured by absorption spectroscopy at cryogenic temperatures. Anomalous bandgap shifts are observed in CsPbI 3 nanocubes and nanoplatelets, which are modeled accurately by bandgap renormalization due to lattice vibrational modes. We find that decreasing dimensionality of the CsPbI 3 lattice in nanoplatelets greatly reduces electron-phonon coupling, and dominant out-of-plane quantum confinement results in a homogeneously broadened absorption line shape down to cryogenic temperatures. An absorption tail forms at low-temperatures in CsPbI 3 nanocubes, which we attribute to shallow defect states positioned near the valence band edge.

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

SECULAR ORBITAL EVOLUTION OF COMPACT PLANET SYSTEMS

Recent observations have shown that at least some close-in exoplanets maintain eccentric orbits despite tidal circularization timescales that are typically much shorter than stellar ages. We explore gravitational interactions with a more distant planetary companion as a possible cause of these unexpected non-zero eccentricities. For simplicity, we focus on the evolution of a planar two-planet system subject to slow eccentricity damping and provide an intuitive interpretation of the resulting long-term orbital evolution. We show that dissipation shifts the two normal eigenmode frequencies and eccentricity ratios of the standard secular theory slightly, and we confirm that each mode decays at its own rate. Tidal damping of the eccentricities drives orbits to transition relatively quickly between periods of pericenter circulation and libration, and the planetary system settles into a locked state in which the pericenters are nearly aligned or nearly anti-aligned. Once in the locked state, the eccentricities of the two orbits decrease very slowly because of tides rather than at the much more rapid single-planet rate, and thus eccentric orbits, even for close-in planets, can often survive much longer than the age of the system. Assuming that an observed close-in planet on an elliptical orbit is apsidally locked to a more distant, and perhaps unseen companion, we provide a constraint on the mass, semi-major axis, and eccentricity of the companion. We find that the observed two-planet system HAT-P-13 might be in just such an apsidally locked state, with parameters that obey our constraint reasonably well. We also survey close-in single planets, some with and some without an indication of an outer companion. None of the dozen systems that we investigate provides compelling evidence for unseen companions. Instead, we suspect that (1) orbits are in fact circular, (2) tidal damping rates are much slower than we have assumed, or (3) a recent event has excited these eccentricities. Our method should prove useful for interpreting the results of both current and future planet searches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Model for Charge Accumulation in n- and p-MOS Transistors during Tunneling Electron Injection from a Gate

A quantitative model for charge accumulation in an undergate dielectric during tunneling electron injection from a gate according to the Fowler–Nordheim mechanism is developed. The model takes into account electron and hole capture at hydrogen-free and hydrogen-related traps as well as the generation of surface states during the interaction of holes with hydrogen-related centers. The experimental dependences of the threshold voltage shift and gate voltage shift of n- and p-channel MOS (metal–oxide–semiconductor) transistors on the injected charge in the constant current mode are analyzed based on the model.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The apparent spectral broadening of VLF transmitter signals during transionospheric propagation

ISIS 1 and 2 and ISEE 1 VLF/ELF electric field wave data indicate the existence of a novel phenomenon, in which initially narrow band upgoing signals from ground-based VLF transmitters undergo a significant spectral broadening as they propagate through the ionosphere and protonosphere, up to altitudes in the 600-3800 km range. For transmitter signals in the 10-20 kHz range, the spectral broadening can be as high as 10 percent of the input signal's nominal frequency. In many cases, the bandwidth of the spectrally broadened signals is a strong function of the electric dipole antenna orientation with respect to the local direction of the earth's magnetic field. The unusual dispersion in the components of the spectrally broadened pulses suggests that the spectral broadening may be due to a Doppler shift effect in which the initial signals scatter from irregularities in the F region and couple into quasi-electrostatic modes of short wave length.

Bell, T. F.↗
NASA NTRS1987

Analysis of twin supersonic plume resonance

Recent experiments conducted at NASA Langley show that twin supersonic jets separating by a distance of approximately two nozzle diameters (center to center) exhibit resonant oscillations under a wide range of operating conditions. In this paper the mechanism responsible for the synchronized resonant oscillations is investigated. A vortex sheet jet model is used in the analysis. The model shows that kinematically two modes of twin jet resonance can occur. One mode involves flapping motion of both jets symmetric with respect to the mid-plane separating the two jets. The other mode involves antisymmetric flapping motion. The symmetric mode is consistent with experimental observations. The vortex sheet jet model is, however, unable to provide quantitative estimates of the shift in screech frequency (as compared to a single jet) due to the resonance phenomenon. The reason for this is discussed. Possible improvement of the model and directions for future work are indicated.

Tam, Christopher K. W.↗
NASA NTRS1988

Frequencies of solar p-mode oscillations

A list is presented of frequencies that can be used as a basis for helioseismic investigations of the average structure of the solar interior as a function of depth. The list includes measurements of frequencies of p-mode multiplets covering the l range from 4 to 99. Two different data sets are employed: one based on Doppler shift measurements made in 1985 at the Big Bear Solar Observatory and another based on intensity measurements made in 1981 at the geographic South Pole. Frequencies from the two data sets are compared, and systematic frequency differences are found that range from less than 0.1 microHz at low values of l to about 0.6 microHz at l = 99; the uncertainty is + or - 0.1 microHz.

Duvall, T. L., Jr.↗
NASA NTRS1998

Stimulated Raman amplification, oscillation, and linewidth in barium nitrate

Measurements of Raman gain in a Ba(NO3)2 crystal are reported at 532 nm using a Raman oscillator/amplifier arrangement for differential absorption lidar measurements of ozone. The experimentally determined gain coefficient will be compared with theoretical results. The effect of single and multi-longitudinal mode pumping upon the amplification process will be discussed. Measurement of the Raman linewidth for 1st 2nd and 3d stokes shifts arc presented.

McCray, Christopher J.↗
NASA NTRSDate not supplied

Direct Evidence for the Dynamic Chromospheric Origin of Solar Coronal Plumes

Coronal plumes are long ray-like open structures in coronal holes, and have been considered as possible sources for the fast solar wind. Their origin in the largely unipolar coronal holes has long been a mystery. Earlier spectroscopic and imaging observations have revealed blue-shifted plasma and propagating disturbances (PDs) in plumes that are widely interpreted in terms of flows and/or propagating slow-mode waves, but these interpretations (flows vs waves)are under debate. Recently we discovered an important clue about plume internal structure: dynamic filamentary features called “plumelets”, which account for most of the plume emission. Here we present high-resolution observations from SDO/AIA and IRIS that revealed numerous quasiperiodic tiny jets (so-called “jetlets") associated with transient brightening and plasma heating at the chromospheric footpoints of the plumelets. By analogy to larger coronal jets, these jetlets are most likely produced within the plume base by magnetic reconnection between closed and open flux at a stressed 3D null point. The jetlet-associated brightenings are in phase with plumelet-associated PDs, and vary with a period of ∼3 to 5 minutes, which is remarkably consistent with the photospheric/chromospheric p-mode oscillation. This reconnection at the open-closed boundary in the chromosphere/transition region is likely modulated or driven by local manifestations of the global p-mode waves. We discuss how these quasiperiodic jetlets extend upward to become plumelets, contribute mass to the solar wind, and may be sources of switchbacks recently detected by the Parker Solar Probe.

Pankaj Kumar↗
NASA NTRS2022

Quasiperiodic Energy Release and Jets at the Base of Solar Coronal Plumes

Coronal plumes are long, ray-like, open structures, which have been considered as possible sources for the solar wind. Their origin in the largely unipolar coronal holes has long been a mystery. Earlier spectroscopic and imaging observations revealed blue-shifted plasma and propagating disturbances (PDs) in plumes that are widely interpreted in terms of flows and/or propagating slow-mode waves, but these interpretations (flows vs waves) remain under debate. Recently we discovered an important clue about plume internal structure: dynamic filamentary features called “plumelets”, which account for most of the plume emission. Here we present highresolution observations from the Solar Dynamics Observatory’s Atmospheric Imaging Assembly (SDO/AIA) and the Interface Region Imaging Spectrograph (IRIS) that revealed numerous, quasiperiodic, tiny jets (so-called “jetlets”) associated with transient brightening, flows, and plasma heating at the chromospheric footpoints of the plumelets. By analogy to larger coronal jets, these jetlets are most likely produced within the plume base by magnetic reconnection between closed and open flux at stressed 3D null points. The jetlet-associated brightenings are in phase with plumelet-associated PDs, and vary with a period of ∼3 to 5 minutes, which is remarkably consistent with the photospheric/chromospheric p-mode oscillation. This reconnection at the open-closed boundary in the chromosphere/transition region is likely modulated or driven by local manifestations of the global p-mode waves. The jetlets extend upward to become plumelets, contribute mass to the solar wind, and may be sources of the switchbacks recently detected by the Parker Solar Probe.

jets↗
DOE OSTI2023

Neutron Coincidence Measurements of Uranium-233 Oxide

Renewed international interest in thorium-fueled advanced reactors has challenged the safeguards community to address future proliferation concerns. Thorium-based technology presents many benefits but does not eliminate the proliferation risks associated with producing and processing fissile material. A byproduct of thorium-fueled reactors is uranium-233, which is classified as a direct-use material. As a result, the development of new or improved methods to characterize and measure materials containing 233U must mirror the pace of development of reactors and facilities that produce such material. Research is underway to assess, develop, and test approaches for safeguarding nuclear materials within the thorium fuel cycle. Neutron signatures from the nondestructive assay (NDA) of materials containing 233U are being quantified to inform the potential characterization of these materials. Using a traditional neutron coincidence counter and a series of well-documented 233U oxide samples, initial measurements have been made to assess the feasibility of 233U characterization and discrimination from other uranium isotopes, primarily 235U, using a combination of measurement techniques and analysis methods. Data acquisition is performed in list mode, allowing for a variety of analyses to be performed on the raw data that is not available using traditional shift register technology. Measurements were performed in passive and active configurations to quantify the strength of signal and to validate simulations in support of this work. This paper presents and discusses the results of the initial measurements of 233U oxide performed at Oak Ridge National Laboratory.

Lockhart, Madeline↗
NASA NTRSDate not supplied

Multi-Gbps Fiber-Optic Wavefront Sensing Coherent Optical Receiver

We report recent progress on technology developments at the NASA Glenn Research Center using photonic lanterns for coherent optical communications applications. In particular, the development of a spatial mode-diversity optical receiver using a photonic lantern combined with a photonic integrated circuit (PIC). The PIC is designed for compatibility with the NASA Laser Communication Relay Demonstration’s (LCRD) differential phase-shift keying signaling format. We report on the PIC design and future characterization and packaging efforts. Additionally, we report on the development of a 19-channel photonic lantern and provide updates on efforts to use the photonic lantern as a wavefront sensing device. The photonic lantern insertion loss, and spatial-mode transfer characteristics are detailed, as well as the development of a predictive framework in which the intensities in the 19 single-mode output channels are used to reconstruct the wavefront of the light entering the multi-moded input side of the lantern. Finally, we discuss concepts for potential future systems using photonic lanterns and PICs that combine both wavefront sensing and coherent communications onto a single integrated platform.

Optical Communications↗
DOE OSTI2016

High temperature Raman investigation of few-layer MoTe{sub 2}

We present a Raman investigation of the temperature effect of single and few layer MoTe{sub 2} at an electronic device working temperature range from 300 K to 500 K. We observe linear frequency red-shifts with increasing temperature for the first order Raman active E{sup 1}{sub 2g}, A{sub 1g}, Raman inactive B{sup 1}{sub 2g} mode, and the second order ω{sub 2} mode, which can be attributed to the anharmonic effect of the interatomic potential energy. The temperature coefficients of the out-of-plane vibrational B{sup 1}{sub 2g} modes and inplane vibrational E{sup 1}{sub 2g} modes are similarly around −0.013 cm{sup −1}/K, while lower than that of out-of-plane vibration A{sub 1g} mode at −0.009 cm{sup −1}/K. The temperature coefficient of ω{sub 2} mode is −0.00521 cm{sup −1}/K, approximately half of those of the first order modes, and the temperature coefficient of transverse acoustic TA (M) mode is indirectly deduced as −0.0102 cm{sup −1}/K, which shows the corresponding Mo-Te stretching bonds of TA (M) mode behavior similarly to those of optical Raman vibrations. Our work thus provides temperature dependent lattice vibration information of MoTe{sub 2} and could be potentially useful in future optoelectronic devices based on MoTe{sub 2} related two dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗