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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Decoupling the metal insulator transition and crystal field effects of VO 2

VO 2 is a highly correlated electron system which has a metal-to-insulator transition (MIT) with a dramatic change of conductivity accompanied by a first-order structural phase transition (SPT) near room temperature. The origin of the MIT is still controversial and there is ongoing debate over whether an SPT induces the MIT and whether the T c can be engineered using artificial parameters. We examined the electrical and local structural properties of Cr- and Co-ion implanted VO 2 (Cr-VO 2 and Co-VO 2 ) films using temperature-dependent resistance and X-ray absorption fine structure (XAFS) measurements at the V K edge. The temperature-dependent electrical resistance measurements of both Cr-VO 2 and Co-VO 2 films showed sharp MIT features. The T c values of the Cr-VO 2 and Co-VO 2 films first decreased and then increased relative to that of pristine VO 2 as the ion flux was increased. The pre-edge peak of the V K edge from the Cr-VO 2 films with a Cr ion flux ≥ 10 13 ions/cm 2 showed no temperature-dependent behavior, implying no changes in the local density of states of V 3d t 2g and e g orbitals during MIT. Extended XAFS (EXAFS) revealed that implanted Cr and Co ions and their tracks caused a substantial amount of structural disorder and distortion at both vanadium and oxygen sites. The resistance and XAFS measurements revealed that VO 2 experiences a sharp MIT when the distance of V–V pairs undergoes an SPT without any transitions in either the VO 6 octahedrons or the V 3d t 2g and eg states. This indicates that the MIT of VO 2 occurs with no changes of the crystal fields.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Unusual satellite-electron signature within the Uranian magnetosphere and its implications regarding whistler electron loss processes

It has been reported that during the outbound (nightside) portion of the Voyager 2 encounter with the Uranian magnetosphere, intense whistler mode emissions were observed near the magnetic equator (lambda(sub m) approx. 16 deg) and at L shell values between approx. 5.5 and approx. 9 R(sub U). Comprehensive calculations of whistler-driven pitch angle diffusion, in previous work, have yielded strong diffusion electron lifetimes of approx. 1 hour for 20 to 40 keV electrons. In this paper we report on an unusual and sharply defined charged particle feature that: (1) involved electrons between 22 and 35 keV, (2) was observed during the time period of the intense whistler mode observations, (3) was aligned very accurately and sharply with the minimum L shell position (L approx. 7.5) of the satellite Ariel, and (4) has an appearance that suggests that electrons were removed only at and beyond Ariel's minimum-L. On the basis of our conclusion that the signature was caused by electron interactions with either Ariel or materials distributed along Ariel's orbit, the signature could not have been generated for at least 10 hours prior to its observation. Thus the calculated whistler loss times are in apparent conflict with the signature observation. A scenario of events is proposed to explain the data that involves substormlike electron acceleration on the Uranian nightside and a subsequent sculpting of the electron spatial distributions via interactions with Ariel or materials distributed along Ariel's orbit. The possibility exists that the accurate alignment of the sharp electron feature with Ariel's minimum-L, and the absorptionlike character of the feature, are accidental, and that the feature is caused by dynamical processes (e.g., substorms). In this case the dynamical processes must be quite dissimilar to those occurring in the Earth's magnetosphere.

Mauk, B. H.↗
NASA NTRS1995

The remarkable eclipsing asynchronous AM Herculis binary RX J19402-1025

We report on two years of photometric and spectroscopic observation of the recently discovered AM Herculis star RX J19402-1025. A sharp eclipse feature is present in the optical and X-ray light curves, repeating with a period of 12116.290 +/- 0.003 s. The out-of-eclipse optical waveform contains approximately equal contributions from a signal at the same period and another signal at 12150 s. As these signals drift in and out of phase, the wave form of the light curve changes in a complex but predictable manner. After one entire 'supercycle' of 50 days (the beat period between the shorter periods), the light curve returns to its initial shape. We present long-term ephemerides for each of these periods. It is highly probable that the eclipse period is the underlying orbital period, while the magnetic white dwarf rotates with P = 12150 s. The eclipses appear to be eclipses of the white dwarf by the secondary star. But there is probably also a small obscuring effect from cold gas surrounding the secondary, especially on the orbit-leading side where the stream begins to fall towards the white dwarf. The latter hypothesis can account for several puzzling effects in this star, as well as the tendency among most AM Her stars for the sharp emission-line components to slightly precede the actual motion of the secondary. The presence of eclipses in an asynchronous AM Her star provides a marvelous opportunity to study how changes in the orientation of magnetic field lines affect the accretion flows. Repeated polarimetric light curves and high-resolution studies of the emission lines are now critical to exploit this potential.

Patterson, Joseph↗
DOE OSTI2025

Lines of Bound States in the Continuum in Monodisperse Microsphere Structures

Incorporating epitaxially grown active semiconductor media into self-assembled microsphere crystals has remained a major challenge as the curved geometry of the spheres is incompatible with conventional planar growth and patterning techniques. As a result, active photonic devices based on such self-assembled structures, which have other desirable properties such as enabling the rapid assembly of large area systems, have been elusive. Here, we numerically demonstrate an alternative route to creating high-Q resonances in microsphere-based nanophotonic assemblies compatible with standard optical gain materials. We show that close-packed layers of monodisperse microspheres can exhibit symmetry bandgaps, regardless of their layer stacking order. Thus, this microsphere environment can be used to create lines of bound states in the continuum (BICs) of an embedded slab made of active material. Using a realistic ZnS@SiO 2 (core-shell) architecture and sphere diameters compatible with scalable colloidal assembly, we predict sharp spectral features in angle-resolved transmission that trace these lines of BICs and persist in the presence of some fabrication disorder. Altogether, in enabling the integration of unpatterned epitaxial gain slabs with large-area colloidal microsphere assemblies, this approach opens a practical path toward active, dynamically reconfigurable photonic devices that leverage BIC physics for narrow-linewidth lasing and enhanced light–matter interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

In-Flight Measurement of the Absolute Energy Scale of the Fermi Large Area Telescope

The Large Area Telescope (LAT) on-board the Fermi Gamma-ray Space Telescope is a pair-conversion telescope designed to survey the gamma-ray sky from 20 MeV to several hundreds of GeV. In this energy band there are no astronomical sources with sufficiently well known and sharp spectral features to allow an absolute calibration of the LAT energy scale. However, the geomagnetic cutoff in the cosmic ray electron-plus-positron (CRE) spectrum in low Earth orbit does provide such a spectral feature. The energy and spectral shape of this cutoff can be calculated with the aid of a numerical code tracing charged particles in the Earth's magnetic field. By comparing the cutoff value with that measured by the LAT in different geomagnetic positions, we have obtained several calibration points between {approx}6 and {approx}13 GeV with an estimated uncertainty of {approx}2%. An energy calibration with such high accuracy reduces the systematic uncertainty in LAT measurements of, for example, the spectral cutoff in the emission from gamma ray pulsars.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

LayTracks3D: A new approach for meshing general solids using medial axis transform

This study presents an extension of the all-quad meshing algorithm called LayTracks to generate high quality hex-dominant meshes of general solids. LayTracks3D uses the mapping between the Medial Axis (MA) and the boundary of the 3D domain to decompose complex 3D domains into simpler domains called Tracks. Tracks in 3D have no branches and are symmetric, non-intersecting, orthogonal to the boundary, and the shortest path from the MA to the boundary. These properties of tracks result in desired meshes with near cube shape elements at the boundary, structured mesh along the boundary normal with any irregular nodes restricted to the MA, and sharp boundary feature preservation. The algorithm has been tested on a few industrial CAD models and hex-dominant meshes are shown in the Results section. Work is underway to extend LayTracks3D to generate all-hex meshes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

All-quad meshing without cleanup

Here, we present an all-quad meshing algorithm for general domains. We start with a strongly balanced quadtree. In contrast to snapping the quadtree corners onto the geometric domain boundaries, we move them away from the geometry. Then we intersect the moved grid with the geometry. The resulting polygons are converted into quads with midpoint subdivision. Moving away avoids creating any flat angles, either at a quadtree corner or at a geometry–quadtree intersection. We are able to handle two-sided domains, and more complex topologies than prior methods. The algorithm is provably correct and robust in practice. It is cleanup-free, meaning we have angle and edge length bounds without the use of any pillowing, swapping, or smoothing. Thus, our simple algorithm is fast and predictable. This paper has better quality bounds, and the algorithm is demonstrated over more complex domains, than our prior version.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Bedrock architecture, soil texture, and hyporheic zone characterization combining electrical resistivity and induced polarization imaging

The shallow (<15 m depth) subsurface environment of a short reach along a bedrock stream was investigated with electrical resistivity and induced polarization (IP) to map details of bedrock and soil sediments. The bedrock is mostly comprised of limestone, and is generally resistive compared to the overlying soil. The soil-bedrock interface was determined through a trial and error approach using a sharp boundary feature in the inversion model. The inferred bedrock surface determined from the inversions exhibited undulating patterns with troughs and ridges. A near continuous trough ran alongside the stream within the floodplain, and is suggestive of a paleochannel among other interpretations of this feature. The structure of the electrical resistivity above the bedrock showed small-scale elongated features. The chargeability from the IP method showed larger scale features. High values of chargeability were associated with the sediments in the floodplain, and low values were associated with bedrock, stream, and soil on the elevated banks above the stream. If the chargeability is associated with membrane polarization characteristic of clayey soils, then IP seems to highlight the mere existence of clay, while the resistivity may be more discernable of the relative proportion of clay. Vegetation differences may also explain the chargeability distribution, where parts of the survey with high chargeability had dense pine with no understory making the soils more organically rich.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dijet Acoplanarity in CUJET3 as a Probe of the Nonperturbative Color Structure of QCD Perfect Fluids

Using the CUJET3=DGLV+VISHNU jet-medium interaction framework, we show that dijet azimuthal acoplanarity in high energy A + A collisions is sensitive to possible non-perturbative enhancement of the jet transport coefficient, $\hat{q}$(T,E), in the QCD crossover temperature T ~ 150–300 MeV range. With jet-medium couplings constrained by global RHIC& LHC χ 2 fits to nuclear modification data on R AA (p T > 20) GeV, we compare predictions of the medium induced dijet transverse momentum squared, $Q_s^2~\langle \hat{q}L\rangle~ΔΦ^2E^2$, in two models of the temperature, T, and jet energy E dependence of the jet medium transport coefficient, $\hat{q}$(T,E)). In one model, wQGP, the chromo degrees of freedom (dof) are approximated by a perturbative dielectric gas of quark and gluons dof. In the second model, sQGMP, we consider a nonperturbative partially confined semi-Quark-Gluon-Monopole-Plasma with emergent color magnetic dof constrained by lattice QCD data. Unlike the slow variation of the scaled jet transport coefficient, $\hat{q}_{wQGP}/T^3$, the sQGMP model $\hat{q}_{sQGMP}/T^3$ features a sharp maximum in the QCD confinement crossover T range. We show that the dijet path averaged medium induced azimuthal acoplanarity, Δφ 2 , in sQGMP is robustly ~ 2 times larger than in perturbative wQGP. even though the radiative energy loss in both models is very similar as needed to fit the same R AA data. Future A+A dijet acoplanarity measurements constrained together with single jet R AA and ν n measurements therefore appears to be a promising strategy to search for possible signatures of critical opalescence like phenomena in the QCD confinement temperature range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

Density functional embedding theory (DFET) enables use of electronic structure methods with higher accuracy than density functional theory in a local region, with applications thus far ranging from (photo/electro)catalysis to reactions in solution. DFET partitions a large collection of atoms into smaller groups that interact via a shared embedding (interaction) potential V emb , determined via functional optimization. The optimized effective potential (OEP) process used to optimize V emb is time-consuming and becomes a computational bottleneck due to sharp, oscillating features of V emb near nuclei. Here, similar to pseudopotential theory, by reconstructing electron densities used in the OEP process from smoother pseudo-valence-only (PVO) electron densities as proxies for total densities of the full system and subsystems, we can retain accuracy in the embedded electronic structure calculations while potentially reducing the overhead of V emb construction, within the projector augmented-wave (PAW) formalism. We explore three different chemical reactions as exemplars to test PVO–DFET, namely, H 2 dissociative adsorption on a Cu(111) surface, H 2 O adsorption on a Pt(111) surface, and aqueous [Ca 2+ –SO 4 2– ] ion-pair formation. The PVO approximation works well for all three systems with minimal loss of accuracy (∼10–70 meV error relative to the original exact-derivative (ED) approach) while accelerating V emb generation for the Cu and Pt systems respectively by 20× and 5×. Given proper numerical convergence parameters, the spatial distributions of differences between PVO- and ED-based V emb outside the core regions are small, explaining the exceptional agreement between the two approaches. Finally, we anticipate that this more efficient PVO–DFET approximation will be useful whenever computation of V emb is much more expensive than subsequent embedded high-level electron correlation calculations.

approximation↗
DOE OSTI2017

Distinguishing Surface versus Bulk Hydroxyl Groups of Cellulose Nanocrystals Using Vibrational Sum Frequency Generation Spectroscopy

In plant cell walls and cellulose-containing composites, nanocrystalline cellulose interacts with water molecules or matrix polymers through hydrogen bonding of the hydroxyl groups at the cellulose surface. These interactions play key roles in cellulose assembly in plant cell walls and mechanical properties of cellulose composites; however, they could not be studied properly due to the spectroscopic difficulty of selectively detecting the surface hydroxyl groups of nanocrystalline domains. This study employed the sum frequency scattering principle to distinguish the hydroxyl groups inside of the crystalline nanodomain of cellulose and those exposed at the surface of crystalline domains. The comparison of the spectra at various scattering angles revealed that the OH peak near ~3450 cm –1 comes from the weakly hydrogen-bonded OH groups at the surface of crystalline cellulose. Also, a time delay measurement found that the sharp vibrational features observed near 3700 cm–1 can be attributed to isolated OH groups not accessible by ambient water molecules. These findings allow the distinction of surface versus bulk OH groups in sum frequency generation vibrational spectroscopy.

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

Large polarization-dependent exciton optical Stark effect in lead iodide perovskites

A strong interaction of a semiconductor with a below-bandgap laser pulse causes a blue-shift of the bandgap transition energy, known as the optical Stark effect. The energy shift persists only during the pulse duration with an instantaneous response time. The optical Stark effect has practical relevance for applications, including quantum information processing and communication, and passively mode-locked femtosecond lasers. Here we demonstrate that solution-processable lead-halide perovskites exhibit a large optical Stark effect that is easily resolved at room temperature resulting from the sharp excitonic feature near the bandedge. We also demonstrate that a polarized pump pulse selectively shifts one spin state producing a spin splitting of the degenerate excitonic states. Such selective spin manipulation is an important prerequisite for spintronic applications. Lastly, our result implies that such hybrid semiconductors may have great potential for optoelectronic applications beyond photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2018

Resonance Raman signature of intertube excitons in compositionally-defined carbon nanotube bundles

Electronic interactions in low-dimensional nanomaterial heterostructures can lead to novel optical responses arising from exciton delocalization over the constituent materials. Similar phenomena have been suggested to arise between closely interacting semiconducting carbon nanotubes of identical structure. Such behavior in carbon nanotubes has potential to generate new exciton physics, impact exciton transport mechanisms in nanotube networks, and place nanotubes as one-dimensional models for such behaviors in systems of higher dimensionality. Here we use resonance Raman spectroscopy to probe intertube interactions in (6,5) chirality-enriched bundles. Raman excitation profiles for the radial breathing mode and G-mode display a previously unobserved sharp resonance feature. We show the feature is evidence for creation of intertube excitons and is identified as a Fano resonance arising from the interaction between intratube and intertube excitons. The universality of the model suggests that similar Raman excitation profile features may be observed for interlayer exciton resonances in 2D multilayered systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tailoring the surface plasmon resonance of embedded silver nanoparticles by combining nano- and femtosecond laser pulses

We demonstrate that the broad surface plasmon resonance (SPR) of a single layer of near-coalescence silver nanoparticles (NPs), embedded in a dielectric matrix can be tailored by irradiation with a single nanosecond laser pulse into a distribution featuring a sharp resonance at 435 nm. Scanning electron microscopy studies reveal the underlying mechanism to be a transformation into a distribution of well-separated spherical particles. Additional exposure to multiple femtosecond laser pulses at 400 nm or 800 nm wavelength induces polarization anisotropy of the SPR, with a peak shift that increases with laser wavelength. The spectral changes are measured in-situ, employing reflection and transmission micro-spectroscopy with a lateral resolution of 4 μm. Spectral maps as a continuous function of local fluence can be readily produced from a single spot. The results open exciting perspectives for dynamically tuning and switching the optical response of NP systems, paving the way for next-generation applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Optical spectra of the silicon-terminated carbon chain radicals SiC{sub n}H (n = 3,4,5)

The gas-phase optical spectra of three silicon-terminated carbon chain radicals, SiC{sub n}H (n = 3 − 5), formed in a jet-cooled discharge of silane and acetylene, have been investigated by resonant two-color two-photon ionization and laser-induced fluorescence/dispersed fluorescence. Analysis of the spectra was facilitated by calculations performed using equation-of-motion coupled cluster methods. For SiC{sub 3}H and SiC{sub 5}H, the observed transitions are well-described as excitations from a {sup 2}Π ground state to a {sup 2}Σ state, in which vibronic coupling, likely involving a higher-lying Π state with a very large predicted f-value (close to unity), is persistent. The lowest {sup 2}Σ states of both species are characterized by a rare silicon triple bond, which was identified previously [T. C. Smith, H. Y. Li, D. J. Clouthier, C. T. Kingston, and A. J. Merer, J. Chem. Phys. 112, 3662 (2000)] in the lowest {sup 2}Σ state of SiCH. Although a strong Π − Π transition is predicted for SiC{sub 4}H, the observed spectrum near 505 nm more likely corresponds to excitation to a relatively dark Σ state which is vibronically coupled to a nearby Π state. In contrast to the chains with an odd number of carbon atoms, which exhibit relatively sharp spectral features and lifetimes in the 10–100 ns range, SiC{sub 4}H shows intrinsically broadened spectral features consistent with a ∼100 fs lifetime, and a subsequent long-lived decay (>50 μs) which we ascribe to mixing with a nearby quartet state arising from the same electronic configuration. The spin-orbit coupling constants for both SiC{sub 3}H and SiC{sub 5}H radicals were determined to be approximately 64 cm{sup −1}, similar to that of SiCH (69.8 cm{sup −1}), suggesting that the unpaired electron in these species is localized on the silicon atom. Motivated by the new optical work, the rotational spectrum of linear SiC{sub 3}H was detected by cavity Fourier-transform microwave spectroscopy in the 13–34 GHz range. Each rotational transition from the {sup 2}Π{sub 3/2} ground state exhibits well-resolved Λ-doubling and hyperfine structure; the derived rotational constant of B = 2.605 GHz is in excellent agreement with our calculations.

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

Femtosecond laser ablation of dielectric materials in the optical breakdown regime: Expansion of a transparent shell

Phase transition pathways of matter upon ablation with ultrashort laser pulses have been considered to be understood long-since for metals and semiconductors. We provide evidence that also certain dielectrics follow the same pathway, even at high pulse energies triggering optical breakdown. Employing femtosecond microscopy, we observe a characteristic ring pattern within the ablating region that dynamically changes for increasing time delays between pump and probe pulse. These transient Newton rings are related to optical interference of the probe beam reflected at the front surface of the ablating layer with the reflection at the interface of the non-ablating substrate. Analysis of the ring structure shows that the ablation mechanism is initiated by a rarefaction wave leading within a few tens of picoseconds to the formation of a transparent thin shell of reduced density and refractive index, featuring optically sharp interfaces. The shell expands and eventually detaches from the solid material at delays of the order of 100 ps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Controlling laser-dressed resonance line shape using attosecond extreme-ultraviolet pulse with a spectral minimum

High-harmonic generation from a gas target exhibits sharp spectral features and rapid phase variation near the Cooper minimum. By applying spectral filtering, shaped isolated attosecond pulses can be generated where the pulse is split into two in the time domain. Using such shaped extreme-ultraviolet (XUV) pulses, we theoretically study attosecond transient absorption (ATA) spectra of helium 2s2p autoionizing state which is resonantly coupled to the 2s 2 dark state by a time-delayed infrared laser. Our simulations show that the asymmetric 2s2p Fano line shape can be readily tuned into symmetric Lorentzian within the time delay of a few tens of attoseconds. Such efficient control is due to the destructive interference in the generation of the 2s2p state when it is excited by a strongly shaped XUV pulse. This is to be compared to prior experiments where tuning the line shape of a Fano resonance would take tens of femtoseconds. We also show that the predicted ATA spectral line shape can be observed experimentally after propagation in a gas medium. Our results suggest that strongly shaped attosecond XUV pulses offer the opportunity for controlling and probing fine features of narrow resonances on the few-ten attoseconds timescale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

CONTINUOUS MID-INFRARED STAR FORMATION RATE INDICATORS: DIAGNOSTICS FOR 0 < z < 3 STAR-FORMING GALAXIES

We present continuous, monochromatic star formation rate (SFR) indicators over the mid-infrared wavelength range of 6–70 μm. We use a sample of 58 star-forming galaxies (SFGs) in the Spitzer–SDSS–GALEX Spectroscopic Survey at z < 0.2, for which there is a rich suite of multi-wavelength photometry and spectroscopy from the ultraviolet through to the infrared. The data from the Spitzer Infrared Spectrograph (IRS) of these galaxies, which spans 5–40 μm, is anchored to their photometric counterparts. The spectral region between 40–70 μm is interpolated using dust model fits to the IRS spectrum and Spitzer 70 and 160 μm photometry. Since there are no sharp spectral features in this region, we expect these interpolations to be robust. This spectral range is calibrated as a SFR diagnostic using several reference SFR indicators to mitigate potential bias. Our band-specific continuous SFR indicators are found to be consistent with monochromatic calibrations in the local universe, as derived from Spitzer, WISE, and Herschel photometry. Our local composite template and continuous SFR diagnostics are made available for public use through the NASA/IPAC Infrared Science Archive (IRSA) and have typical dispersions of 30% or less. We discuss the validity and range of applicability for our SFR indicators in the context of unveiling the formation and evolution of galaxies. Additionally, in the era of the James Webb Space Telescope this will become a flexible tool, applicable to any SFG up to z ∼ 3.

79 ASTRONOMY AND ASTROPHYSICS↗