Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “sharp features”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum dynamical effects of vibrational strong coupling in chemical reactivity

Abstract Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a firm theoretical explanation. Here, we employ an exact quantum dynamics approach to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling to either the reaction coordinate or a non-reactive mode, and the coupling of the cavity to lossy modes. Thus, many of the most important features needed for realistic modeling of the cavity modification of chemical reactions are included. We find that when a molecule is coupled to an optical cavity it is essential to treat the problem quantum mechanically to obtain a quantitative account of alterations to reactivity. We find sizable and sharp changes in the rate constant that are associated with quantum mechanical state splittings and resonances. The features that emerge from our simulations are closer to those observed in experiments than are previous calculations, even for realistically small values of coupling and cavity loss. This work highlights the importance of a fully quantum treatment of vibrational polariton chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Metrics for Linear Kinematic Features in Sea Ice

The treatment of leads as cracks or discontinuities (see Coon et al. presentation) requires some shift in the procedure of evaluation and comparison of lead-resolving models and their validation against observations. Common metrics used to evaluate ice model skills are by and large an adaptation of a least square "metric" adopted from operational numerical weather prediction data assimilation systems and are most appropriate for continuous fields and Eilerian systems where the observations and predictions are commensurate. However, this class of metrics suffers from some flaws in areas of sharp gradients and discontinuities (e.g., leads) and when Lagrangian treatments are more natural. After a brief review of these metrics and their performance in areas of sharp gradients, we present two new metrics specifically designed to measure model accuracy in representing linear features (e.g., leads). The indices developed circumvent the requirement that both the observations and model variables be commensurate (i.e., measured with the same units) by considering the frequencies of the features of interest/importance. We illustrate the metrics by scoring several hypothetical "simulated" discontinuity fields against the lead interpreted from RGPS observations.

Levy, G.↗
DOE OSTI2025

Fermi’s Golden Rule Rate Expression for Transitions Due to Nonadiabatic Derivative Couplings in the Adiabatic Basis

Starting from a general molecular Hamiltonian expressed in the basis of adiabatic electronic and nuclear position states, where a compact and complete expression for the nonadiabatic derivative coupling (NDC) Hamiltonian term is obtained, we provide a general analysis of the Fermi’s golden rule (FGR) rate expression for nonadiabatic transitions between adiabatic states. We then consider a quasi-adiabatic approximation that uses crude adiabatic states and NDC couplings, both evaluated at the minimum potential energy configuration of the initial adiabatic state, for the definition of the zeroth and first-order terms of the Hamiltonian. Although the application of this approximation is rather limited, it allows deriving a general FGR rate expression without further approximation while accounting for non-Condon contribution to the FGR rate arising from momentum operators of NDC terms and its coupling with vibronic displacements. For a generic and widely used model where all nuclear degrees of freedom and environmental effects are represented as linearly coupled harmonic oscillators, we derive a closed-form FGR rate expression that requires only Fourier transform. The resulting rate expression includes quadratic contributions of NDC terms and their couplings to Franck–Condon modes, which require evaluation of two additional bath spectral densities in addition to the conventional one that appears in a typical FGR rate theory based on the Condon approximation. Model calculations for the case where nuclear vibrations consist of both a sharp high-frequency mode and an Ohmic bath spectral density illustrate new features and implications of the rate expression. We then apply our theoretical expression to the nonradiative decay from the first excited singlet state of azulene, which illustrates the utility and implications of our theoretical results.

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

Confined lattice dynamics of single and quadruple SnSe bilayers in [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals

The Sn specific densities of phonon states in the SnSe subunits of [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals with (m,n) = (1,1), (4,1) and in bulk SnSe were derived from nuclear inelastic scattering by the 119 Sn M ssbauer resonance. When using different measurement configurations, phonons with polarization parallel and perpendicular to the ferecrystal plane were specifically probed. Vibrational properties and phonon spectral weight are found to strongly depend on the phonon polarization and layer count m. Moreover, a highly peculiar feature of these ferecrystal densities of phonon states is the emergence of rather sharp high energy vibrational modes polarized perpendicular to the ferecrystal plane, which contrasts with usual findings in thin layered structures and nanostructured materials in general, and a depletion of modes with a gap appearing between acoustic and high energy modes. The spectral weight of these phonons depends on the overall SnSe content, m, but cannot be unambiguously attributed to SnSe MoSe 2 interfaces. Considering the low energy part of lattice dynamics, ferecrystals exhibit rather low average phonon group velocities as compared to the speed of sound in the long wavelength limit. For the (1,1) ferecrystal, this effect is most pronounced for vibrations polarized in the ferecrystal plane. Therefore, an experimental microscopic origin for the vibrational and bonding anisotropy in subunits of ferecrystals is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Robustness of predator-prey models for confinement regime transitions in fusion plasmas

Energy transport and confinement in tokamak fusion plasmas is usually determined by the coupled nonlinear interactions of small-scale drift turbulence and larger scale coherent nonlinear structures, such as zonal flows, together with free energy sources such as temperature gradients. Zero-dimensional models, designed to embody plausible physical narratives for these interactions, can help to identify the origin of enhanced energy confinement and of transitions between confinement regimes. A prime zero-dimensional paradigm is predator-prey or Lotka-Volterra. Here, we extend a successful three-variable (temperature gradient; microturbulence level; one class of coherent structure) model in this genre [M. A. Malkov and P. H. Diamond, Phys. Plasmas 16, 012504 (2009)], by adding a fourth variable representing a second class of coherent structure. This requires a fourth coupled nonlinear ordinary differential equation. We investigate the degree of invariance of the phenomenology generated by the model of Malkov and Diamond, given this additional physics. We study and compare the long-time behaviour of the three-equation and four-equation systems, their evolution towards the final state, and their attractive fixed points and limit cycles. We explore the sensitivity of paths to attractors. It is found that, for example, an attractive fixed point of the three-equation system can become a limit cycle of the four-equation system. Addressing these questions which we together refer to as 'robustness' for convenience is particularly important for models which, as here, generate sharp transitions in the values of system variables which may replicate some key features of confinement transitions. Our results help to establish the robustness of the zero-dimensional model approach to capturing observed confinement phenomenology in tokamak fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1983

Orbital motion and mass flow in the interacting binary Be star HR 2142

The discovery of an unusual, periodic, two-component shell phase of short duration in the 'classical' Be star HR2142 (HD41335, MWC133) offered convincing evidence that this object is a mass-transfer binary system. A model based solely on the phase-dependent behavior of the hydrogen shell lines in this 80(d).860 binary was developed by Peters and Polidan (1973) and by Peters (1976). The present investigation is concerned with a refinement to the earlier model, taking into account the utilization of an orbital solution obtained from measurements of the wings of the broad photospheric features observed in the rapidly rotating primary. Velocities and equivalent widths from the sharp 'shell' lines, presumably formed in or near the gas stream, provide additional information on the mass flow in the Balmer-line-formation region.

Peters, G. J.↗
NASA NTRS1984

Variation of the pulse profile of Hercules X-1

The X-ray pulsar Her X-1 was observed in an on-state during its 35th cycle of activity in May, 1983 using the gas scintillation proportional counter (GSPC) array of the Tenma X-ray astronomy satellite. The outstanding features observed during the declining phase of the on-state included: a sharp decrease in the main X-ray pulse amplitude; and a steady increase in the column density of cool matter. On the basis of the spectral shape of the pulses, it is suggested that the main phase was attenuated due to electron scattering of the X-ray beam in a highly ionized medium located 3 x 10 to the 8th cm from the neutron star. Near the end of the on-state, the main pulse totally disappeared and a plain sinusoidal profile was observed. The observed pulse profiles are reproduced in graphic form.

Ohashi, T.↗
NASA NTRS1988

F region electron temperature signatures of the plasmapause based on Dynamics Explorer 1 and 2 measurements

A large DE 1 and 2 database covering all local times is used to explore the relationship between electron temperature (Te) signatures in the F region and plamaspheric density structures. The quiet time Te signature remains in the vicinity of 60 deg invariant latitude at all local times, while the plasmapause is found to bulge to about 60 deg at 1500 LT. The plasmasphere in the bulge region is shown to exhibit an internal feature in the vicinity of 60 deg which takes the form of a sharp H(+) gradient. It is suggested that the light-ion gradient may represent a recently created sharp boundary between an old plasmasphere and a new plasmasphere. The present Te characteristics are consisent with plasmasphere depletion and refilling time constants.

Brace, L. H.↗
NASA NTRSDate not supplied

Influence of sediment resuspension on deep-ocean Pa-231 and Th-230 cycling: A PROGRESS REPORT

The naturally-occurring particle-reactive radionuclides protactinium-231 (231Pa) and thorium-230 (230Th) are used as tracers of a variety of oceanic processes, both at present and in the past. Most notably, the sediment 231Pa/230Th ratio has been used to infer changes in the Atlantic Meridional Overturning Circulation over the last (de)glaciation. However, recent measurements along the U.S. GEOTRACES North Atlantic transect (GA03) revealed two features which are at odds with current understanding about 231Pa and 230Th behaviour in the ocean: (i) a sharp decrease in dissolved 231Pa and 230Th activities with depth below 2000-4000 m and (ii) very large particulate 231Pa and 230Th activities near the bottom, at a number of stations between the New England continental shelf and Bermuda. Concomitant measurements of particulate matter concentration and potential temperature showed that both features are associated with the benthic nepheloid layer (BNL) and the bottom mixed layer (BML) that are present at these stations. Here we develop and apply a simplified model of the exchange of particles, 231Pa, and 230Th between the BNL and the upper sediment, to explore the extent to which the radionuclide anomalies observed near the bottom at a number of GA03 stations can be explained by local sediment resuspension. We find that the model can broadly reproduce the observed anomalies at two stations where samples for radionuclide analyses were collected near the seafloor. Sensitivity tests with the model show that the 231Pa/230Th ratio of particles in the BML and the sediment varies by a factor of 3 as the sediment resuspension rate fluctuates within a range consistent with observational estimates. The modelled variability is comparable to the spatial variability of 231Pa/230Th of suspended particles in the modern North Atlantic and to the variability of Atlantic sediment 231Pa/230Th records across the last (de)glacial period. Two factors are found to contribute to the modelled sensitivity of the sediment 231Pa/230Th to sediment resuspension rate: the vertical turbulent mixing in the BML and the differential scavenging intensity of Pa and Th due to variation in particle concentration. Overall, our study indicates that the exchange of material between the BNL and the upper sediment can affect the particulate 231Pa/230Th ratio in the bottom water and the sediment, which may complicate the use of sediment 231Pa/230Th as a palaeoceanographic tracer.

particle-reactive radionuclides↗
NASA NTRS2019

Rock Hard Science: Multispectral and Mineralogical Investigations to Understand Bedrock Spectral Properties and Strength at Vera Rubin Ridge, Gale Crater, Mars

Since the beginning of the Mars Science Laboratory (MSL) mission, Vera Rubin Ridge (VRR) has been a location of interest to the MSL science team because of its apparent erosional resistance and strong near-IR (~860 nm) absorption feature seen from orbit in the Mars Reconnaissance Orbiter mission's Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) data. The strong CRISM absorption feature along VRR was hypothesized to be primarily associated with an increased abundance of crystal-line hematite compared to lower Mt. Sharp units. How-ever, surface multispectral and mineralogic data, from the Mastcam and CheMin instruments onboard the Curiosity rover, suggest hematite is not the only mineral contributing to the near-IR absorption feature measured in VRR or the reason for its relative hardness.

Jacob, S. R.↗
NASA NTRS1972

Preliminary mapping of the lunar magnetic field

Magnetic field measurements made with the Apollo 15 subsatellite established the existence of remanent magnetization over much of the Moon's surface. The major features of the structure of the measured remanent field are apparently associated with large craters, the most apparent detected to date being that in the vicinity of the Van de Graaff crater. A preliminary contour map of relative magnetic intensity was produced for a limited region of the Moon. A high resolution plot of the Van de Graaff region was constructed from vector data in an attempt to locate the source of the largest feature observed.

Coleman, P. J., Jr.↗
DOE OSTI2022

Shocks in the stacked Sunyaev-Zel’dovich profiles of clusters II: Measurements from SPT-SZ + Planck Compton- y map

ABSTRACT We search for the signature of cosmological shocks in stacked gas pressure profiles of galaxy clusters using data from the South Pole Telescope (SPT). Specifically, we stack the latest Compton-y maps from the 2500 deg2 SPT-SZ survey on the locations of clusters identified in that same data set. The sample contains 516 clusters with mean mass $\langle M_{\rm 200m}\rangle = 10^{14.9} \, {\rm M}_\odot$ and redshift 〈z〉 = 0.55. We analyse in parallel a set of zoom-in hydrodynamical simulations from the three hundred project. The SPT-SZ data show two features: (i) a pressure deficit at R/R200m = 1.08 ± 0.09, measured at 3.1σ significance and not observed in the simulations, and; (ii) a sharp decrease in pressure at R/R200m = 4.58 ± 1.24 at 2.0σ significance. The pressure deficit is qualitatively consistent with a shock-induced thermal non-equilibrium between electrons and ions, and the second feature is consistent with accretion shocks seen in previous studies. We split the cluster sample by redshift and mass, and find both features exist in all cases. There are also no significant differences in features along and across the cluster major axis, whose orientation roughly points towards filamentary structure. As a consistency test, we also analyse clusters from the Planck and Atacama Cosmology Telescope Polarimeter surveys and find quantitatively similar features in the pressure profiles. Finally, we compare the accretion shock radius ($R_{\rm sh,\, acc}$) with existing measurements of the splashback radius (Rsp) for SPT-SZ and constrain the lower limit of the ratio, $R_{\rm sh,\, acc}/R_{\rm sp}\gt 2.16 \pm 0.59$.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Alteration trends and geochemical source region characteristics preserved in the fluviolacustrine sedimentary record of Gale crater, Mars

The Mars Science Laboratory’s Chemistry and Camera (ChemCam) instrument suite on-board the Curiosity rover has analysed ~1200 sedimentary targets during the mission up to sol 1482. These targets have included sedimentary rock, diagenetic features (e.g., fracture-associated alteration halos, mineral veins, nodules, and erosion resistant raised ridges), active aeolian fines, soils and float. We have isolated ChemCam geochemical trends relating to diagenetic features and alteration products from those of the sedimentary rock in order to identify the compositional characteristics of Gale crater’s sediment source regions. The effects of grain size variation on sedimentary unit geochemistry have been taken into account by grouping and analysing geological units according to grain size. With obvious diagenetic features removed from the database, and predominately isochemical aqueous alteration inferred for the Mt Sharp Group samples, we propose that source region composition is a stronger source of geochemical change between the Bradbury and Mt Sharp Groups than open-system alteration. Additionally, a lack of correlation between the Chemical Index of Alteration (CIA) values and SiO 2 , MgO or FeO T indicates that the slight increase in chemical weathering of the Mt Sharp Group sediments was insufficient to overprint sediment source compositional signatures. This has led to the identification of five unique igneous endmember compositions which we hypothesise to have contributed to Gale crater’s stratigraphic record. These endmembers are: (1) a subalkaline basalt, compositionally similar to the tholeiitic Adirondack Class basalts of Gusev crater, and dominant within the finer grained units up to the base of Mt Sharp; (2) a trachybasalt, mostly identified within conglomerate units from the Darwin waypoint to the base of Mt Sharp; (3) a potassium-rich volcanic source, determined from strong potassium enrichment and a high abundance of sanidine that is most dominant in the fluvial sandstones and conglomerates of the Kimberley formation; (4) a highly evolved, silica-rich igneous source that correlates with the presence of tridymite, and is recorded in the lacustrine mudstone of Mt Sharp’s Marias Pass locality; and, (5) a fractionated, relatively SiO 2 -rich subalkaline basalt, seen to have influenced the composition of mudstone deposited in the lower part of the Mt Sharp Group. Endmembers (1), (2), (3), and (4) have previously been identified at specific waypoints along the rover’s traverse, but we show that their influence extends throughout Gale’s stratigraphic record. The occurrence of detected endmembers is also strongly correlated with stratigraphic position, which suggests changing sediment source regions with time. We conclude that Gale sediment provenances were much more varied than suggested by the largely homogenous, globally-distributed Martian basalt inferred from orbit, showing that complex magmatic assemblages exist within the ancient highland crust surrounding Gale.

58 GEOSCIENCES↗
DOE OSTI2016

Vertically oriented arrays of ReS 2 nanosheets for electrochemical energy storage and electrocatalysis

Here, transition-metal dichalcogenide (TMD) nanolayers show potential as high-performance catalysts in energy conversion and storage devices. Synthetic TMDs produced by chemical-vapor deposition (CVD) methods tend to grow parallel to the growth substrate. Here, we show that with the right precursors and appropriate tuning of the CVD growth conditions, ReS 2 nanosheets can be made to orient perpendicular to the growth substrate. This accomplishes two important objectives; first, it drastically increases the wetted or exposed surface area of the ReS 2 sheets, and second, it exposes the sharp edges and corners of the ReS 2 sheets. We show that these structural features of the vertically grown ReS 2 sheets can be exploited to significantly improve their performance as polysulfide immobilizers and electrochemical catalysts in lithium–sulfur (Li–S) batteries and in hydrogen evolution reactions (HER). After 300 cycles, the specific capacity of the Li–S battery with vertical ReS 2 catalyst is retained above 750 mA h g –1 , with only ~0.063% capacity decay per cycle, much better than the baseline battery (without ReS 2 ), which shows ~0.184% capacity decay per cycle under the same test conditions. As a HER catalyst, the vertical ReS 2 provides very small onset overpotential (<100 mV) and an exceptional exchange-current density (~67.6 μA/cm 2 ), which is vastly superior to the baseline electrode without ReS 2 .

2D materials↗
NASA NTRS1988

IUE observations of a hot DAO white dwarf: Implications for diffusion theory and photospheric stratification

Observations of the DAO white dwarf PG1210+533, including the first high dispersion spectrum of a hybrid H-He object of this nature were obtained by IUE. In contrast with hot DAs in the 50,000 K temperature range, PG1210+533 shows no narrow interstellar-like metal lines, in spite of an optically observed He/H abundance of 0.1. This lack of metal makes accretion from the ISM an unlikely source for the He in the PG1210+533 photosphere. A significant discovery in the high dispersion spectrum is the existence of a sharp, non-LTE like, core seen in the He II 1640 line. Such features are detected in DO white dwarfs. A small aperture SWP low dispersion observation reveals the Lyman alpha profile of PG1210+533 to be surprisingly weak and narrow. Fits of this profile using pure H models yielded a T(eff) = 56,000 K. Fits of the Balmer H gamma profile however, yield T(eff) = 42,300 K and log g = 8.5 + or - 0.5 for the same models. It is unlikely that homogeneously mixed H-He atmospheres can resolve the inconsistency between the Lyman alpha and H gamma features in this star. Stratified models involving thin H photospheres may be necessary to explain these results.

Holberg, J. B.↗
NASA NTRS1988

Time-dependent models of radiatively driven stellar winds. I - Nonlinear evolution of instabilities for a pure absorption model

Numerical radiation-hydrodynamics simulations of the nonlinear evolution of instabilities in radiatively driven stellar winds have been performed. The results show a strong tendency for the unstable flow to form rather sharp rarefactions in which the highest speed material has very low density. The qualitative features of the model agree well with the reqirements of displaced narrow absorption components in UV lines.

Owocki, Stanley P.↗
NASA NTRS2010

K-shell Photoionization of Na-like to Cl-like Ions of Mg, Si, S, Ar, and Ca

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of Mg, Si, S, Ar, and Ca ions with more than 10 electrons. The calculations include the effects of radiative and Auger damping by means of an optical potential. The wave functions are constructed from single-electron. orbital bases obtained using a Thomas-Fermi-Dirac statistical model potential. Configuration interaction is considered among all states up to n = 3. The damping processes affect the resonances converging to the K-thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

Witthoeft, M. C.↗
NASA NTRS1987

Comments on the tectonism of Venus

Preliminary tectonic mapping of Venus from Venera 15/16 images shows unquestionable evidence of at least limited horizontal tectonism. The majority of tectonic features on Venus have no relation to topography. In fact, many axes of disruption interconnect, and cross sharp topographic boundaries at large angles, thereby discounting gravity as the driving force. Compressional zones (CZ's), unlike Extensional zones (EZ's), tend to be discontinuous, and, whereas EZ's cross tectonic and topographic boundaries at various angles, many CZ's on Venus are subparallel to these boundaries. Strike-like faulting is curiously lacking from the mapping, possible due to the steep incidence angle of the radar, which is far from optimal for detecting faults of small throw. A chronology of horizontal crustal movements, and hence the analysis of Venus' thermal development, is large dependent on understanding the crater form features. Regardless of their uncertain origin, the craters still could hold the answer to whether, and to what extent, crustal shuffling is occurring on Venus.

Kozak, R. C.↗