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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hybridization-driven strong anharmonicity in Yb-filled skutterudites

A high-pressure study of the structural and thermal transport properties is carried out on one of the most efficient filled skutterudites, $\mathrm{Yb_{0.3}Co_4Sb_{12}}$, to understand the relatively low thermal conductivity behavior in this family. By combining x-ray diffraction and Raman scattering measurements, we detect a phase transition at around 12.4 GPa. The mode Grüneisen parameters of the observed phonon modes are obtained from the determined bulk modulus and the phonon frequency shifts with pressure. The strong anharmonicity in this material is demonstrated by the obtained large average Grüneisen parameter. We also find the depressed group velocity within the low-frequency range, the flat guest mode avoided crossing with the acoustic-phonon mode, and the significant contribution of optical phonons. The hybridization of the guest atom and host lattice and the related enhanced anharmonicity are suggested to account for the low lattice thermal conductivity in the studied system. So, these findings provide new insight into how phonon-phonon interactions lower lattice thermal conductivity in this important thermoelectric family.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spin-helix Larmor mode

A two-dimensional electron gas (2DEG) with equal-strength Rashba and Dresselhaus spin-orbit coupling sustains persistent helical spin-wave states, which have remarkably long lifetimes. In the presence of an in-plane magnetic field, there exist single-particle excitations that have the character of propagating helical spin waves. For magnon-like collective excitations, the spin-helix texture reemerges as a robust feature, giving rise to a decoupling of spin-orbit and electronic many-body effects. We prove that the resulting spin-flip wave dispersion is the same as in a magnetized 2DEG without spin-orbit coupling, apart from a shift by the spin-helix wave vector. The precessional mode about the persistent spin-helix state is shown to have an energy given by the bare Zeeman splitting, in analogy with Larmor’s theorem. Lastly, we also discuss ways to observe the spin-helix Larmor mode experimentally.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

One-to-one mapping between the electromagnetic modes of cylindrical and coaxial half-wave cavities

Design of radio frequency (RF) couplers and diagnostics require a good understanding of the electromagnetic mode patterns of RF cavities. This study investigates the adiabatic transformation of transverse magnetic (TM) modes in a cylindrical cavity into transverse electromagnetic (TEM) modes of a coaxial cavity by gradually introducing an inner conductor. Using CST Studio Suite, we simulate the eigenmode evolution as the geometry transforms from a pure cylindrical to a coaxial configuration. We track the behavior of TM010 through TM014 modes to observe the continuous evolution into the corresponding TEM0 through TEM4 modes of the coaxial cavity. The process is governed by the evolution of the electric field orientation as the geometry shifts, enabling the axial TM fields to reorient into the radial electric field configuration of TEM modes. Field patterns, eigen-frequencies, and mode indentities are analyzed throughtout the transition. The results provide simulation-based evidence that TM to TEM conversion occurs without generation of newer eigenmodes, offering a valuable insight into the design of transition regions in superconducting RF (SRF) systems and provides a foundation for experimental validation.

Accelerator Physics↗
NASA NTRS1995

Driven acoustic oscillations within a vertical magnetic field

The effects of a vertical magnetic field on p-mode frequencies, line widths, and eigenfunctions, are examined. A solar model, consisting of a neutrally stable polytropic interior matched to an isothermal chromosphere, is applied. The p-modes are produced by a spatially distributed driver. The atmosphere is threaded by a constant vertical magnetic field. The frequency shifts due to the vertical magnetic field are found to be much smaller than the shifts caused by horizontal fields of similar strength. A large vertical field of 2000 G produces shifts of several nHz. It is found that the frequency shifts decrease with increasing frequency and increase with field strength. The coupling of the acoustic fast mode to the escaping slow modes is inefficient. Constant vertical magnetic field models are therefore incapable of explaining the high level of absorption observed in sunspots and plage.

Hindman, Bradley W.↗
DOE OSTI2023

In Situ High-Temperature Raman Spectroscopy of UCl 3 : A Combined Experimental and Theoretical Study

Uranium trichloride (UCl 3 ) has received growing interest for its use in uranium-fueled molten salt reactors and in the pyrochemical processing of used fuel. In this paper, we report for the first time the experimentally determined Raman spectra of UCl 3 , at both ambient condition and in situ high temperatures up to 871 K. The frequencies of five of the Raman-active vibrational modes (v i ) of UCl 3 exhibit a negative temperature derivative ((∂ν i /∂T) P ) with increasing temperature. Here, this red-shift behavior is likely due to the elongation of U–Cl bonds. The average isobaric mode Grüneisen parameter (γ iP = 0.91 ± 0.02) of UCl 3 was determined through use of the coefficient of thermal expansion published in Vogel et al. (2021) and the (∂ νi /∂T) P values determined in this study. These results are in general agreement with those calculated here by density functional theory (DFT+U). Finally, a comparison of the ambient band positions of UCl 3 to those of isostructural lanthanide (La–Eu) and actinide chlorides (Am–Cf) has been made.

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

The effect of hydrogen bonding on torsional dynamics: A combined far-infrared jet and matrix isolation study of methanol dimer

The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ∼560 cm{sup −1}, blue-shifted by more than 300 cm{sup −1} relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ∼286 cm{sup −1}. The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Raman spectroscopic investigations of Hg-Cd-Te melts

Raman scattering measurements are reported for a series of Hg sub1-xCd subxTe (with x less than or =0.2) materials from 295 K (room temperature) to 1126K (up to and above their liquidus temperatures), and for Hg sub1-xCd subxTe (x=0.3) at 285K. The samples were contained in high-temperature optically-flat fused silica cell. Variable temperature measurements were effected in a three-zone, high-temperature furnace equipped with optical windows, and monitored externally by three independently programmable temperature controllers. All studies were made in the backscattering geometry using the 5145 A line of an Ar+ ion laser, with incident power less than 250 mW, as the excitiation source. An intensity enhancement is observed for a mode in each of the compositions studied. The frequency of this mode varies with composition, 142/cm for HgTe, and 128/cm for both the Hg sub1-xCd subxTe (x=0.053 and 0.204) samples. In addition, a shift to lower frequency as a function of temperature is observed in all samples. This shift is most prominent for the x=0.053 sample. The temperature dependence of these modes as the liquidus temperatures are achieved and surpassed for these samples is presented as being associated with a structural transition in the Hg-rich compositions of the Hg sub1-xCd subxTe series. To our knowledge, this is the first reported study of Raman scattering by phonons in the melts of these materials.

Morrobel-Sosa, Anny↗
DOE OSTI2017

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5'-Hydrazinebistetrazole at high-pressure

5,5'-Hydrazinebistetrazole (HBTA) has been studied by in-situ x-ray diffraction and vibrational spectroscopy to pressures near 25 GPa at room temperature. Analysis of the x-ray diffraction pattern of HBTA collected at ambient pressure and temperature revealed a monoclinic structure consistent with that previously reported. Under compression, the x-ray diffraction reveals little evidence of a phase transition over the pressure range studied. Slight anisotropy in response to compression was noted and the β angle decreased moderately, suggesting geometry modifications occur in the hydrogen bonding lattice and between neighboring HBTA molecules as a result of compression along the c axis. Blue shifts in the Infrared active N-H stretching modes were observed, implying a weakening of the hydrogen bond with compression. The weakening of the hydrogen bonding lattice with pressure may lead to an increase in the bending angle of the C-N=N-C bridge between the tetrazole rings and an increased overlap between the π-bonding orbitals. The Raman spectra showed a number of modes associated with H-N=N-H motions of the bridge become more prominent in the spectra under compression. Additionally, the possibility that the increased bend in the angle of the C-N=N-C bridge results from a shearing deformation is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Nonlinear resonant ultrasound spectroscopy of stress corrosion cracking in stainless steel rods

Stainless steel containers are susceptible to stress corrosion cracking (SCC) under certain stress and corrosion conditions. Nonlinear ultrasonic techniques are very sensitive to the early presence of damage, more so than linear techniques. Nonlinear Resonant Ultrasound Spectroscopy (NRUS) is used here to measure a nonlinear shift in the resonance frequency due to a cumulative amount of SCC. Steel rods are immersed in a heated magnesium chloride solution and removed after different exposure times. NRUS measurements are conducted using the fundamental longitudinal mode of vibration. Rods exposed longer generally have a larger resonance frequency shift and are therefore more nonlinear. Thus NRUS might offer a means of detecting a cumulative SCC damage in a sample.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Single-Doped and Multidoped Transition-Metal (Mn, Fe, Co, and Ni) ZnO and Their Electrocatalytic Activities for Oxygen Reduction Reaction

The electrochemical oxygen reduction reaction (ORR) is the limiting half-reaction of fuel cells, which is mediated by using platinum-based catalysts. Hence, the development of low-cost, active ORR catalysts is highly required to make fuel cell technology commercially available. In this report, transition-metal (TM; Mn, Fe, Co, and Ni) single-doped and multidoped (MD) ZnO nanocrystals (ZNs) were prepared for use as ORR catalysts using a simple precipitation method. The effects of single doping and multidoping on the structure, morphology, and properties of the TM-doped ZNs were analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray fluorescence, X-ray photoelectron microscopy, electron paramagnetic resonance, and Raman and photoluminescence (PL) spectroscopies. The XRD results reveal that synthesized ZnO samples retained a pure hexagonal wurtzite crystal structure, even at high levels of multidoping (nominal 20%). SEM analyses show that the morphology of the prepared ZNs varies with the doping elements, doping mode, and amounts of doping. The observation of peak shifting and peak intensity changes in Raman studies confirms the presence of dopants in ZnO. The PL investigation reveals that the incorporation of dopants into the ZnO structure increases the oxygen vacancies within the materials. The highest oxygen vacancies were present in Mn-doped ZnO and 15% MD ZnO among the single-doped and MD samples, respectively. Linear-sweep voltammetry studies conclude that doped ZnO shows enhanced ORR activity compared to the undoped samples. The Mn-doped ZnO and 15% MD ZnO exhibited the highest ORR activity among the prepared single-doped and MD ZN samples, respectively. In comparison, single doping showed better ORR activity than the multidoping system. The enhanced ORR activity of the synthesized ZN materials correlates with the amount of oxygen vacancies present in the samples. Finally, the enhanced activity of TM-doped ZnO suggests that these materials can be used as potential, low-cost electrocatalysts for ORR in fuel cell technology.

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

Room temperature, single mode emission from two-section coupled cavity InGaAs/AlGaAs/GaAs quantum cascade laser

Room temperature, single mode, pulsed emission from two-section coupled cavity InGaAs/AlGaAs/GaAs quantum cascade laser fabricated by focused ion beam processing is demonstrated and analyzed. The single mode emission is centered at 1059.4 cm{sup −1} (9.44 μm). A side mode suppression ratio of 43 dB was achieved. The laser exhibits a peak output power of 15 mW per facet at room temperature. The stable, single mode emission is observed within temperature tuning range, exhibiting shift at rate of 0.59 nm/K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Clocked atom delivery to a photonic crystal waveguide

Experiments and numerical simulations are described that develop quantitative understanding of atomic motion near the surfaces of nanoscopic photonic crystal waveguides (PCWs). Ultracold atoms are delivered from a moving optical lattice into the PCW. Synchronous with the moving lattice, transmission spectra for a guided-mode probe field are recorded as functions of lattice transport time and frequency detuning of the probe beam. By way of measurements such as these, we have been able to validate quantitatively our numerical simulations, which are based upon detailed understanding of atomic trajectories that pass around and through nanoscopic regions of the PCW under the influence of optical and surface forces. The resolution for mapping atomic motion is roughly 50 nm in space and 100 ns in time. By introducing auxiliary guided-mode (GM) fields that provide spatially varying AC Stark shifts, we have, to some degree, begun to control atomic trajectories, such as to enhance the flux into the central vacuum gap of the PCW at predetermined times and with known AC Stark shifts. In conclusion, applications of these capabilities include enabling high fractional filling of optical trap sites within PCWs, calibration of optical fields within PCWs, and utilization of the time-dependent, optically dense atomic medium for novel nonlinear optical experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Poster — Thur Eve — 30: 4D VMAT dose calculation methodology to investigate the interplay effect: experimental validation using TrueBeam Developer Mode and Gafchromic film

The interplay effect between the tumor motion and the radiation beam modulation during a VMAT treatment delivery alters the delivered dose distribution from the planned one. This work present and validate a method to accurately calculate the dose distribution in 4D taking into account the tumor motion, the field modulation and the treatment starting phase. A QUASAR™ respiratory motion phantom was 4D scanned with motion amplitude of 3 cm and with a 3 second period. A static scan was also acquired with the lung insert and the tumor contained in it centered. A VMAT plan with a 6XFFF beam was created on the averaged CT and delivered on a Varian TrueBeam and the trajectory log file was saved. From the trajectory log file 10 VMAT plans (one for each breathing phase) and a developer mode XML file were created. For the 10 VMAT plans, the tumor motion was modeled by moving the isocentre on the static scan, the plans were re-calculated and summed in the treatment planning system. In the developer mode, the tumor motion was simulated by moving the couch dynamically during the treatment. Gafchromic films were placed in the QUASAR phantom static and irradiated using the developer mode. Different treatment starting phase were investigated (no phase shift, maximum inhalation and maximum exhalation). Calculated and measured isodose lines and profiles are in very good agreement. For each starting phase, the dose distribution exhibit significant differences but are accurately calculated with the methodology presented in this work.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1981

AlGaAs/GaAs transverse junction stripe lasers with distributed feedback

Transverse junction stripe (TJS) lasers with periodic feedback were fabricated in two geometries. An interferometric and wet chemical etching technique was used to create a feedback grating across the entire pumping region for the distributed feedback (DFB) TJS laser and to create the separate distributed Bragg reflectors/DBR) for the TJS/DBR laser. The TJS/DFB laser was a double heterostructure device grown by liquid phase epitaxy (LPE) and had a third order grating etched in the top ALO.2GaO.8As layer. The grating was buried by growing an ALO.35GaO.65As layer on the grating by metal organic chemical vapor deposition (MO-CVD). The TJS/DBR laser was also fabricated in an LPE double heterostructure. The top AlGaAs layer was thinned to 0.1 micron over more than half of the laser so that the grating would be close to the GaAs active layer and optical field. Single mode operation in both configurations was obtained. The thermal shift of the laser wavelength in both cases was less than 1 Angstrom/deg K, compared to the 3 Angstrom/deg K shift of the spontaneous emission peak.

Hafich, M. J.↗
NASA NTRS1984

Strong electron heat flux modes in Jupiter's foreshock

Analysis of Voyager plasma wave data from the Jovian foreshock has revealed the existence of a new oscillation with center frequency below fp and typically lying above the upper limit Doppler shift frequency for ion acoustic waves. The properties of these waves are consistent with modes generated by a strong electron heat flux in an unmagnetized plasma. Such modes become unstable when the effective drift velocity exceeds n(cold)/(hot) exp 1/2 times the thermal speed of the hot component. The occasional simultaneous appearance of more than one frequency band is a possible indication of multiple magnetic connection with the shock.

Moses, S. L.↗
NASA NTRS1992

International Ultraviolet Explorer (IUE)

The observation, data reduction, and interpretation of ultraviolet spectra (obtained with the International Ultraviolet Explorer) of Herbig-Haro objects, stellar jets, and (in a few cases) reflection nebulae in star-forming regions is discussed. Intermediate results have been reported in the required semi-annual reports. The observations for this research were obtained in 23 (US1) IUE shifts. The spectra were taken in the low resolution mode with the large aperture. The following topics were investigated: (1) detection of UV spectra of high excitation Herbig-Haro (HH) objects, identification of emission lines, and a preliminary study of the energy distribution of the ultraviolet continuum; (2) details of the continuum energy distribution of these spectra and their possible interpretation; (3) the properties of the reddening (extinction) of HH objects; (4) the possible time variation of strong emission lines in high excitation HH objects; (5) the ultraviolet emission of low excitation HH objects, especially in the fluorescent lines of the H2 molecule; (6) the ultraviolet emission in the peculiar object HH24; (7) the spatial emission distribution of different lines and different parts of the continuum in different HH objects; and (8) some properties of reflection nebula, in the environment of Herbig-Haro objects. Each topic is discussed.

Boehm, Karl-Heinz↗
NASA NTRS2009

Morphology-Dependent Resonances and Their Applications to Sensing in Aerospace Environments

This paper reviews recent developments in Morphology-Dependent Resonance (MDR)-based sensors for aerospace applications. The sensor concept is based on the detection of small shifts of optical resonances (also called the whispering gallery modes or WGM) of dielectric spheres caused by external effects. Recent developments in MRD-based micro-optical sensors for temperature, force, pressure, and concentration are discussed. In addition to the experimental configurations used in each type of prototype sensor, a brief overview is also given for analytical approaches to describe the sensor principle.

Adamovsky, G.↗
NASA NTRS2017

Synoptic Traveling Weather Systems on Mars: Effects of Radiatively-Active Water Ice Clouds

Atmospheric aerosols on Mars are critical in determining the nature of its thermal structure, its large-scale circulation, and hence the overall climate of the planet. We conduct multi-annual simulations with the latest version of the NASA Ames Mars global climate model (GCM), gcm2.3+, that includes a modernized radiative-transfer package and complex water-ice cloud microphysics package which permit radiative effects and interactions of suspended atmospheric aerosols (e.g., water ice clouds, water vapor, dust, and mutual interactions) to influence the net diabatic heating. Results indicate that radiatively active water ice clouds profoundly affect the seasonal and annual mean climate. The mean thermal structure and balanced circulation patterns are strongly modified near the surface and aloft. Warming of the subtropical atmosphere at altitude and cooling of the high latitude atmosphere at low levels takes place, which increases the mean pole-to-equator temperature contrast (i.e., "baroclinicity"). With radiatively active water ice clouds (RAC) compared to radiatively inert water ice clouds (nonRAC), significant changes in the intensity of the mean state and forced stationary Rossby modes occur, both of which affect the vigor and intensity of traveling, synoptic period weather systems. Such weather systems not only act as key agents in the transport of heat and momentum beyond the extent of the Hadley circulation, but also the transport of trace species such as water vapor, water ice-clouds, dust and others. The northern hemisphere (NH) forced Rossby waves and resultant wave train are augmented in the RAC case: the modes are more intense and the wave train is shifted equatorward. Significant changes also occur within the subtropics and tropics. The Rossby wave train sets up, combined with the traveling synoptic period weather systems (i.e., cyclones and anticyclones), the geographic extent of storm zones (or storm tracks) within the NH. A variety of circulation features will be presented which indicate contrasts between the RAC and nonRAC cases, and which highlight key effects radiatively-active clouds have on physical and dynamical processes active in the current climate of Mars.

Atmospheric aerosols↗