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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Glass formation and short-range order structures in the BaS + La 2 S 3 + GeS 2 system

Infrared (IR) optical materials have enabled a broad range of optical sensing and measurement applications in the mid-wave and long-wave IR. Many IR transmitting glasses are based on covalently-bonded selenides and tellurides, such as As 2 Se 3 and GeTe 2 , which typically have relatively low glass transition temperatures (T g ) on the order of 200 to 350 °C. Many applications have working temperatures above the T g of these materials, which compels the development of new IR materials. This work studies the underlying short-range order (SRO) structure and glass formability of a new family of ionically-bonded sulfide glasses, xBaS + yLa 2 S 3 + (1-x-y)GeS 2 , to develop high T g optical materials with a broad IR transmission range. These sulfide glasses were produced by melting sulfide materials inside evacuated and sealed carbon-coated silica ampoules at 1150 °C for 12 hours and quenching to room temperature to form glass. Glass samples were then characterized by IR and Raman spectroscopies and differential thermal analysis (DTA). It was found that by increasing the modifier concentration, the predominantly Ge 4 SRO units, the superscript defines the number of bridging sulfur (BS) ions in the tetrahedral network found in GeS 2 glasses, are ultimately converted to Ge 0 units at > 40 mol% network modifier content through the generation of non-bridging sulfur (NBS) ions. These molecular ionic units still form a glassy network, with some of the highest reported T g values to date for a pure sulfide glass. This suggests that this composition has strong ionic bonds between negatively-charged tetrahedral SRO units and the positively-charged modifier cations. While the glass network is depolymerized in the high modifier content glasses though the formation of a high concentration of molecular ionic Ge 0 SRO groups, they are, nevertheless, homogeneous glassy materials that exhibit the largest T g and ΔT (difference between crystallization temperature, T c , and T g ) values of glasses in this system, making them the optimal glasses for high T g IR optical components, including, potentially, refractory IR optical fibers.

non-crystalline solids, glass formation↗
DOE OSTI2016

Long-range energy transport in photosystem II

We simulate the long-range inter-complex electronic energy transfer in photosystem II—from the antenna complex, via a core complex, to the reaction center—using a non-Markovian (ZOFE) quantum master equation description that allows the electronic coherence involved in the energy transfer to be explicitly included at all length scales. This allows us to identify all locations where coherence is manifested and to further identify the pathways of the energy transfer in the full network of coupled chromophores using a description based on excitation probability currents. We investigate how the energy transfer depends on the initial excitation—localized, coherent initial excitation versus delocalized, incoherent initial excitation—and find that the overall energy transfer is remarkably robust with respect to such strong variations of the initial condition. To explore the importance of vibrationally enhanced transfer and to address the question of optimization in the system parameters, we systematically vary the strength of the coupling between the electronic and the vibrational degrees of freedom. We find that the natural parameters lie in a (broad) region that enables optimal transfer efficiency and that the overall long-range energy transfer on a ns time scale appears to be very robust with respect to variations in the vibronic coupling of up to an order of magnitude. Nevertheless, vibrationally enhanced transfer appears to be crucial to obtain a high transfer efficiency, with the latter falling sharply for couplings outside the optimal range. Comparison of our full quantum simulations to results obtained with a “classical” rate equation based on a modified-Redfield/generalized-Förster description previously used to simulate energy transfer dynamics in the entire photosystem II complex shows good agreement for the overall time scales of excitation energy transport.

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

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

The Miller Range 090340 and 090206 meteorites: Identification of new brachinite-like achondrites with implications for the diversity and petrogenesis of the brachinite clan

Miller Range (MIL) 090340 and MIL 090206 are olivine-rich achondrites originally classified as ureilites. We investigate their petrography, mineral compositions, olivine Cr valences, equilibration temperatures, and (for MIL 090340) oxygen isotope compositions, and compare them with ureilites and other olivine-rich achondrites. We conclude that they are brachinite-like achondrites that provide new insights into the petrogenesis of brachinite clan meteorites. MIL 090340,6 has a granoblastic texture and consists of ~97 modal % by area olivine (Fo = molar Mg/[Mg+Fe] = 71.3 ± 0.6). It also contains minor to trace augite, chromite, chlorapatite, orthopyroxene, metal, troilite, and terrestrial Fe-oxides. Approximately 80% by area of MIL 090206,5 has a granoblastic texture of olivine (Fo 72.3 ± 0.1) plus minor augite and chromite, similar to MIL 090340 but also containing minor plagioclase. The rest of the section consists of a single crystal of orthopyroxene (~11 × 3 mm), poikilitically enclosing rounded grains of olivine (Fo = 76.1 ± 0.6), augite, chromite, metal, and sulfide. Equilibration temperatures for MIL 090340 and MIL 090206, calculated from olivine-spinel, olivine-augite, and two-pyroxene thermometry range from ~800 to 930 °C. In both samples, symplectic intergrowths of Ca-poor orthopyroxene + opaque phases (Fe-oxides, sulfide, metal) occur as rims on and veins/patches within olivine. Before terrestrial weathering, the opaques were probably mostly sulfide, with minor metal. All petrologic properties of MIL 090340 and MIL 090206 are consistent with those of brachinite clan meteorites, and largely distinct from those of ureilites. Oxygen isotope compositions of olivine in MIL 090340 (δ 18 O = 5.08 ± 0.30‰, δ 17 O = 2.44 ± 0.21‰, and Δ 17 O = -0.20 ± 0.12‰) are also within the range of brachinite clan meteorites, and well distinguished from ureilites. Olivine Cr valences in MIL 090340 and the granoblastic area of MIL 090206 are 2.57 ± 0.06 and 2.59 ± 0.07, respectively, similar to those of three brachinites also analyzed here (Brachina, Hughes 026, Nova 003). They are higher than those of olivine in ureilites, even those containing chromite. The valence systematics of MIL 090340, MIL 090206, and the three analyzed brachinites (lower Fo = more oxidized Cr) are consistent with previous evidence that brachinite-like parent bodies were inherently more oxidized than the ureilite parent body. The symplectic orthopyroxene + sulfide/metal assemblages in MIL 090340, MIL 090206, and many brachinite clan meteorites have superficial similarities to characteristic “reduction rims” in ureilites. However, they differ significantly in detail. They likely formed by reaction of olivine with S-rich fluids, with only minor reduction. MIL 090340 and the granoblastic area of MIL 090206 are similar in modal mineralogy and texture to most brachinites, but have higher Fo values typical of brachinite-like achondrites. The poikilitic pyroxene area of MIL 090206 is more typical of brachinite-like achondrites. The majority of their properties suggest that MIL 090340 and MIL 090206 are residues of low-degree partial melting. The poikilitic area of MIL 090206 could be a result of limited melt migration, with trapping and recrystallization of a small volume of melt in the residual matrix. Finally, these two samples are so similar in mineral compositions, Cr valence, and cosmic ray exposure ages that they could be derived from the same lithologic unit on a common parent body.

58 GEOSCIENCES↗
NASA NTRS1962

Analysis of the Range and Range Rate Tracking System

The "range and range rate"' (r(sub i) + r(sub i)) system in its very simplest form is described. In particular, the errors in position and velocity are treated using pessimistic values of the measured quantities r(sub i) and r(sub i). Thus, a realistic evaluation of tracking qualities can be made for different orbits over certain tracking stations. The range and range rate system briefly described in this paper is a high-precision tracking system. Knowledge of the uncertainty in position δ(sub xi) is important, but knowledge of the uncertainty of the velocity vector δ(sub xi) is of the utmost importance. Thus the use of coherent Doppler measurements to determine the velocity has a great advantage over any pulsed system and, in addition, permits extremely narrow frequency bandwidths (in the order of 10 to 100 cps) to be employed, reducing the power requirements considerably. The basis for using range r(sub i) and range rate r(sub i) only is the fact that r(sub i) and r(sub i) can be measured to very high precision, thus furnishing r and r with low errors. The nature of these errors is discussed.

Vonbun, F. O.↗
NASA NTRS1972

Smoothing of functions of range and range rate measurements from earth orbiting satellites

It is shown that for satellites in circular Earth orbits with altitudes of 500 kilometers to 1500 kilometers, and for satellites in elliptical orbits with an approximate 4000 kilometer height of perigee, a high degree least squares polynomial (e.g., a 9th or 10th degree in some cases) is required to smooth both range and range rate data for purposes of input to orbit determination programs. In order to circumvent this problem, functions of range and range rate are smoothed with lower degree least squares polynomials (e.g., 3rd and 4th degree) and it is shown that under the above geometric constraints the standard deviation of fit can be reduced to levels commensurate with typical S-band tracking system resolution which is 1 to 2 meters in range and 0.005 meters/second in range rate for a 1 per second data rate. Also shown are the effects of Gaussian random noise, biases, and periodic noise. This analysis includes numerous examples applied to the 44 point data smoothing interval currently used in much of the operational preprocessing at the Goddard Space Flight Center.

Grenchik, T. J.↗
NASA NTRS1980

Microprocessor realizations of range and range-rate filters in radar systems

This paper describes the implementation of digital radar range-rate filters on a microprocessor-based system. A range-rate filter processes a digitized noisy range signal to recover smoothed range data and its derivative, range rate. Two filter designs are implemented. Considerations aiding their efficient operation on an 8-bit microprocessor are discussed. The filters are subjected to a noisy range input signal of known variance, and the associated output signals are statistically analysed to determine noise-rejection characteristics. These results are compared to analytical predictions.

Fleischer, D.↗
DOE OSTI2015

Dynamic-range studies and improvements for multiplexed photonic Doppler velocimetry

This paper presents studies of the dynamic range achievable with multiplexed photonic Doppler velocimetry (MPDV) measurements, and demonstrates techniques to extend the dynamic range. Improved dynamic range for MPDV measurements is needed in order to track the velocity of the free surface behind a cloud of ejecta. Therefore, the authors have undertaken theoretical and experimental studies of factors affecting dynamic range, particularly in cases where the large number of MPDV probe points precludes high illumination power on each channel. To quantify the potential dynamic range of a given MPDV configuration, they introduce a metric called the frequency-domain number of bits, FNOB, which is less stringent than the formally defined equivalent number of bits (ENOB). This new metric is simple to compute in the lab, and it is well suited to conventional PDV analysis, which does not require digitizer phase coherence beyond tens of nanoseconds.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Evaluation of plastic materials for range shifting, range compensation, and solid-phantom dosimetry in carbon-ion radiotherapy

Purpose: Beam range control is the essence of radiotherapy with heavy charged particles. In conventional broad-beam delivery, fine range adjustment is achieved by insertion of range shifting and compensating materials. In dosimetry, solid phantoms are often used for convenience. These materials should ideally be equivalent to water. In this study, the authors evaluated dosimetric water equivalence of four common plastics, high-density polyethylene (HDPE), polymethyl methacrylate (PMMA), polyethylene terephthalate (PET), and polyoxymethylene (POM). Methods: Using the Bethe formula for energy loss, the Gottschalk formula for multiple scattering, and the Sihver formula for nuclear interactions, the authors calculated the effective densities of the plastics for these interactions. The authors experimentally measured variation of the Bragg peak of carbon-ion beams by insertion of HDPE, PMMA, and POM, which were compared with analytical model calculations. Results: The theoretical calculation resulted in slightly reduced multiple scattering and severely increased nuclear interactions for HDPE, compared to water and the other plastics. The increase in attenuation of carbon ions for 20-cm range shift was experimentally measured to be 8.9% for HDPE, 2.5% for PMMA, and 0.0% for POM while PET was theoretically estimated to be in between PMMA and POM. The agreement between the measurements and the calculations was about 1% or better. Conclusions: For carbon-ion beams, POM was dosimetrically indistinguishable from water and the best of the plastics examined in this study. The poorest was HDPE, which would reduce the Bragg peak by 0.45% per cm range shift, although with marginal superiority for reduced multiple scattering. Between the two clear plastics, PET would be superior to PMMA in dosimetric water equivalence.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Heart rate, multiple body temperature, long-range and long-life telemetry system for free-ranging animals

The design details and rationale for a versatile, long-range, long-life telemetry data acquisition system for heart rates and body temperatures at multiple locations from free-ranging animals are presented. The design comprises an implantable transmitter for short to medium range transmission, a receiver retransmitter collar to be worn for long-range transmission, and a signal conditioner interface circuit to assist in signal discrimination and demodulation of receiver or tape-recorded audio outputs. Implanted electrodes are used to obtain an ECG, from which R-wave characteristics are selected to trigger a short RF pulse. Pulses carrying heart rate information are interrupted periodically by a series of pulse interval modulated RF pulses conveying temperature information sensed at desired locations by thermistors. Pulse duration and pulse sequencing are used to discriminate between heart rate and temperature pulses as well as radio frequency interference. The implanted transmitter may be used alone for medium and short-range tracking, or with a receiver-transmitter collar that employs commercial tracking equipment for transmissions of up to 12 km. A system prototype has been tested on a dog.

Lund, G. F.↗
NASA NTRS1986

Sequential ranging integration times in the presence of CW interference in the ranging channel

The Deep Space Network (DSN), managed by the Jet Propulsion Laboratory for NASA, is used primarily for communication with interplanetary spacecraft. The high sensitivity required to achieve planetary communications makes the DSN very susceptible to radio-frequency interference (RFI). In this paper, an analytical model is presented of the performance degradation of the DSN sequential ranging subsystem in the presence of downlink CW interference in the ranging channel. A trade-off between the ranging component integration times and the ranging signal-to-noise ratio to achieve a desired level of range measurement accuracy and the probability of error in the code components is also presented. Numerical results presented illustrate the required trade-offs under various interference conditions.

Mathur, Ashok↗
DOE OSTI2019

Observations of Long-Range and Short-Range Wakefield Effects on Electron-Beam Dynamics in TESLA-type SCRF Cavities

The Fermilab Accelerator Science and Technology (FAST) facility has a unique configuration of a photocathode rf gun beam injecting two TESLA-type single cavities (CC1 and CC2) in series prior to the cryomodule. Beam propagation off axis in these cavities can result in both long-range and short-range transverse wakefields which can lead to emittance dilution within the macropulses and micropulses, respectively. Two configurations of a Hamamatsu C5680 streak camera viewing a downstream OTR screen were utilized to track centroid shifts during the macropulse (framing mode) for the long-range case and during the micropulse for the short-range case (~10-micron spatial resolution and 2-ps temporal resolution). Steering off axis before CC1, resulted in a 100-kHz bunch centroid oscillation within the macropulse that was detected by the downstream rf BPMs and the streak camera*. At 500 pC/b, 50b, and 4-mrad off-axis vertical steering into CC2, we observed an ~ 100-micron head -tail centroid shift in the streak camera image y(t) profiles which we attributed to a short-range wakefield effect. Additional results for kick-angle compensations and model results will be presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

In recent years, some arguments about the existence of medium-range order (MRO) in the Zr-Rh system have been put forward. However, research on the structural features of the Zr-Rh binary alloy at the atomic level is still lacking. This study uses ab initio molecular dynamics simulations to systematically study the local structures of Zr77Rh23 from the liquid to the glassy states. Pair correlation function (PCF), coordination number (CN), Honeycutt–Anderson(HA) index, bond-angle distribution functions, and the Voronoi tessellation method are used to reveal a clear icosahedral-like configuration in the amorphous Zr77Rh23 alloy. It is noteworthy that the splitting in the second peak of the partial PDF implies the existence of a medium range order (MRO) in the Zr77Rh23 system. We obtain the local order in three-dimensional atomic density distributions by using a new atomistic cluster alignment (ACA) method. Interestingly, a Bergman-type MRO is observed in the glassy Zr77Rh23. Furthermore, the spatial distribution and connections of icosahedral-like clusters are shown to further demonstrate the MRO network. Our findings shed light on the nature of atomic local structures of amorphous Zr77Rh23 alloy and have important implications to understanding the formation of various MROs in metallic glasses.

Guo, Y. R.↗
DOE OSTI2014

The contribution of microbunching instability to solar flare emission in the GHz to THz range of frequencies

Recent solar flare observations in the sub-terahertz range have provided evidence of a new spectral component with fluxes increasing for larger frequencies, separated from the well-known microwave emission that maximizes in the gigahertz range. Suggested interpretations explain the terahertz spectral component but do not account for the simultaneous microwave component. We present a mechanism for producing the observed 'double spectra'. Based on coherent enhancement of synchrotron emission at long wavelengths in laboratory accelerators, we consider how similar processes may occur within a solar flare. The instability known as microbunching arises from perturbations that produce electron beam density modulations, giving rise to broadband coherent synchrotron emission at wavelengths comparable to the characteristic size of the microbunch structure. The spectral intensity of this coherent synchrotron radiation (CSR) can far exceed that of the incoherent synchrotron radiation (ISR), which peaks at a higher frequency, thus producing a double-peaked spectrum. Successful CSR simulations are shown to fit actual burst spectral observations, using typical flaring physical parameters and power-law energy distributions for the accelerated electrons. The simulations consider an energy threshold below which microbunching is not possible because of Coulomb repulsion. Only a small fraction of the radiating charges accelerated to energies above the threshold is required to produce the microwave component observed for several events. The ISR/CSR mechanism can occur together with other emission processes producing the microwave component. It may bring an important contribution to microwaves, at least for certain events where physical conditions for the occurrence of the ISR/CSR microbunching mechanism are possible.

79 ASTRONOMY AND ASTROPHYSICS↗