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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Quantum Alternating Operator Ansatz for Satisfiability Problems

Here, we comparatively study, through large-scale numerical simulation, the performance across a large set of Quantum Alternating Operator Ansatz (QAOA) implementations for finding approximate and optimum solutions to unconstrained combinatorial optimization problems. Our survey includes over 100 different mixing unitaries, and we combine each mixer with both the standard phase separator unitary representing the objective function and a thresholded version. Our numerical tests for randomly chosen instances of the unconstrained optimization problems Max 2-SAT and Max 3-SAT reveal that the traditional transverse-field mixer with the standard phase separator performs best for problem sizes of 8 through 14 variables, while the recently introduced Grover mixer with thresholding wins at problems of size 6. This result (i) corrects earlier work suggesting that the Grover mixer is a superior mixer based only on results from problems of size 6, thus illustrating the need to push numerical simulation to larger problem sizes to more accurately predict performance; and (ii) it suggests that more complicated mixers and phase separators may not improve QAOA performance.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2019

Acoustic Phased Array Quantification of Quiet Technology Demonstrator 3 Advanced Inlet Liner Noise Component

Acoustic phased array flyover noise measurements were acquired as part of the Boeing 737 MAX-7 NASA Advanced Inlet Liner segment of the Quiet Technology Demonstrator 3 (QTD3) flight test program. This paper reports on the processes used for separating and quantifying the engine inlet, exhaust and airframe noise source components and provides sample phased array-based comparisons of the component noise source levels associated with the inlet liner treatment configurations. Full scale flyover noise testing of NASA advanced inlet liners was conducted as part of the Quiet Technology Demonstrator 3 flight test program in July and August of 2018. Details on the inlet designs and testing are provided in the companion paper of Reference 1. The present paper provides supplemental details relating to the acoustic phased array portion of the analyses provided in Ref. 1. In brief, the test article was a Boeing 737MAX-7 aircraft with a modified right hand (starboard side) engine inlet, which consisted of either a production inlet liner, a NASA designed inlet liner or a simulated hard wall configuration (accomplished by applying speed tape over the inlet acoustic treatment areas). In all three configurations, the engine forward fan case acoustic panel was replaced with a unperforated (hardwall) panel. No other modifications to any other acoustic treatment areas were made. The left hand (port side) engine was a production engine and was flown at idle thrust for all measurements in order to isolate the effects of the inlet liners to the right hand engine. As described in Ref. 1, the NASA inlet treatment consists of laterally cut slots (cut perpendicular to the flow direction) which are designed to reduce excrescence drag while maintaining or exceeding the liner acoustic noise reduction capabilities. The NASA inlet liner consists of a Multi-Degree of Freedom (MDOF) design with two breathable septum layers inserted into each honeycomb cell [1]. The aircraft noise measurements were acquired for both takeoff (flaps 1 setting, gear up) and approach (flaps 30 gear up and gear down) configurations. The inlet and flight test configurations are summarized in Table 1. Table 1: Inlet Treatment and Flight Configurations Inlet Forward Fan Case Aircraft Production Hardwall Flaps 1, gear up; flaps 30 gear up; flaps 30 gear down NASA Hardwall Flaps 1, gear up; flaps 30 gear up; flaps 30 gear down Hardwall Hardwall Flaps 1, gear up; flaps 30 gear up; flaps 30 gear down III.Test Description and Hardware The flight testing was conducted at the Grant County airport in Moses Lake, WA, between 27 July and 6 August 2018. The noise measurement instrumentation included 8 flush dish microphones arranged in a noise certification configuration as well as an 840 microphone phased array. The flush dish microphones were used to quantify the levels and differences in levels between the various inlet treatments. The phased array was used to separate and quantify the narrowband (tonal) and broadband noise component levels from the engine inlet/exhaust and from the airframe. Phased array extraction of the broadband component was critical to this study because it allowed for the separation of the inlet component from the total airplane level noise even when it was significantly below the total level. Figure 1 provides an overview of the phased array microphone layout as well as a detailed image of an individual phased array microphone mounted in a plate holder (the microphone sensor is the dot in the center of the plate). The ground plane ensemble array microphones (referred to as “ensemble array” in this paper) were mounted in plates with “flower petal” edges designed to minimize edge scattering effects. Fig. 1 Flyover test microphone layout. The phased array configuration was the result of a progressive development of concepts originally implemented in Ref. 2 and refined over the following years, consisting namely of multiple multi-arm logarithmic spiral subarrays designed to cover overlapping frequency ranges and optimized for various aircraft emission angles. For the present case, the signals from all 840 microphones were acquired on a single system. The 840 microphones were parsed into 11 primary subarray sets spanning from smallest to largest aperture size and labeled accordingly as “a, b, …, k”, where “a” corresponds to the smallest fielded subarray and “k” corresponds to the largest aperture subarray. The apertures ranged from approximately 10 ft to 427 ft in size (in the flight direction) with the subarrays consisting of between 215 and 312 microphones. Figure 2 shows three such subarrays, k, h and a. As done in Ref. 2, microphones were shared between subarrays in order to reduce total channel count. Fig. 2 Sample subarray sizes (20° from overhead – refer to Figure 3a discussion). In addition to the above, each of the 11 primary subarray sets consisted of four subarrays optimized to provide near equivalent array spatial resolution in both the flight and lateral directions within 30 degrees of overhead (i.e., airplane directly above the center of the array), namely, at angles  of 0, ±10, ±20 and ±30 degrees relative to overhead where angle  is defined as shown in Figure 3a. This allowed for optimized aircraft noise measurements from 60 to 120 degree emission angle.6 An example of this pletharray design is shown in Figure 3b for the k subarray. When the aircraft is at overhead, the microphones indicated by the blue markers are used for beamforming. When the aircraft is at angles ±10 degrees from overhead, both the blue and red colored microphones are used, and so on for the ±20 and ±30 degree aircraft locations. See Ref. 3 for extensive details on pletharray design for aeroacoustic phased array testing. 6 In the discussions that follow, emission angle values are used. These are the angles at the time sound is emitted relative to the engine axis and are calculated based on flight path angle, body aircraft body angle with respect to the relative wind direction, and engine axis angle relative to aircraft body angle.

Brusniak, Leon↗
DOE OSTI2022

On the additivity of climate responses to the volcanic and solar forcing in the early 19th century

The early 19th century was the coldest period over the past 500 years, when strong tropical volcanic events and a solar minimum coincided. The 1809 unidentified eruption and the 1815 Tambora eruption happened consecutively during the Dalton minimum of solar irradiance; however, the relative role of the two forcing (volcano and solar) agents is still unclear. In this study, we examine the responses from a set of early 19th century simulations with combined and separated volcanic and solar forcing agents, as suggested in the protocol for the past1000 experiment of the Paleoclimate Modelling Intercomparison Project – Phase 4 (PMIP4). From 20-member ensemble simulations with the Max Planck Institute Earth system model (MPI-ESM1.2-LR), we find that the volcano- and solar-induced surface cooling is additive in the global mean/large scale, regardless of combining or separating the forcing agents. The two solar reconstructions (SATIRE (Spectral and Total Irradiance REconstruction-Millennia model) and PMOD (Physikalisch-Meteorologisches Observatorium Davos)) contribute to a cooling before and after 1815 of ~0.05 and ~0.15 K monthly average near-surface air cooling, respectively, indicating a limited solar contribution to the early 19th century cold period. The volcanic events provide the main cooling contributions, inducing a surface cooling that peaks at ~0.82 K for the 1809 event and ~1.35 K for Tambora. After the Tambora eruption, the temperature in most regions increases toward climatology largely within 5 years, along with the reduction of volcanic forcing. In the northern extratropical oceans, the temperature increases slowly at a constant rate until 1830, which is related to the reduction of seasonality and the concurrent changes in Arctic sea-ice extent. The albedo feedback of Arctic sea ice is found to be the main contributor to the Arctic amplification of the cooling signal. Several non-additive responses to solar and volcanic forcing happen on regional scales. In the atmosphere, the stratospheric polar vortex tends to strengthen when combining both volcano and solar forcing, even though the two forcing agents separately induce opposite-sign changes in stratospheric temperatures and zonal winds. In the ocean, when combining the two forcings, additional surface cold water propagates to the northern extratropics from the additional solar cooling in the tropics, which results in regional cooling along the propagation. Overall, this study not only quantifies the surface responses from combinations of the volcano and solar forcing, but also highlights the components that cannot be simply added from the responses of the individual forcing agents, indicating that a relatively small forcing agent (such as solar in early 19th century) can impact the response from the large forcing (such as the 1815 Tambora eruption) when considering regional climates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Planar shock-induced bubble collapse and jetting in water captured via X-ray phase contrast imaging

Shock wave–bubble interactions in water manifest rich dynamics driven by a combination of strong pressure and density mismatches. They have a wide variety of applications, including the injection of pharmaceuticals, and through scaling, enable the exploration of various aspects of high-energy-density systems such as inertial confinement fusion. In this work, the interaction between a micrometric nitrogen bubble and a planar shock wave, characterized by a Mach number of M = 1.24 and a peak pressure of p max = 0.57 , is experimentally recorded using ultra-high-speed x-ray phase contrast imaging. Highly resolved radiographs provide access to all phase discontinuities along the beam path, offering quantities such as the time-varying bubble size, the speed of a jet produced during the bubble collapse, and the time evolution of the shock wave front, which are critical benchmark data for numerical scheme validation. This study addresses the lack of well-characterized, repeatable, and high spatiotemporal resolution experiments at negative Atwood numbers by providing shock–bubble visualization and corresponding numerical simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

2023 American Society for Mass Spectrometry (ASMS) 71st Annual Conference on Mass Spectrometry and Allied Topics

Introduction (120 words max) Understanding metal-cluster chemistry occuring at solvent boundaries in the aqueous and organic phases has applications in environments from cellular processes to nuclear fuel reprocessing. Transport of metal ions at the boundaries from aqueous to organic phases involves forming a metal-ligand complex, and wherever the initial metal coordination environment is significantly different from the final one, the metal transitions through a series of transient species in passing from one phase to another. Here an investigation of the role of coordination in the chemistry of the transient species using gas-phase measurements that are free of solvent effects to better understand the binding of complexes of metals with triphenylphosphine chalcogenide ligands, examining metal-ligand homo- and hetero-dimers to better understand transient species. Methods (120 word max) Mass spectrometry and collision induced dissociation (CID) experiments were performed with a Bruker (Billerica, MA, USA) micrOTOF-Q II quadrupole time-of-flight mass spectrometer (QTOF) and Bruker amaZon speed ETD (ion trap). High resolution/high mass accuracy spectra were generated using the QTOF. External calibration was performed with Agilent (Santa Clara, CA, USA) ESI-L Low Concentration tuning mix. Both mass spectrometers were equipped with either the electrospray ionization source or nanospray sources. Metal samples were prepared between 40 – 60 uM of the metal-ligand complex in 25% water and 75% acetonitrile. Metal-ion clusters were isolated and subjected to collision induced dissociation. Density functional theory calculations were performed. Preliminary Data or Plenary Speakers Abstract (300 words max) Metal ion clusters with triphenylphosphine chalcogenide ligands were observed for group I metals with triphenylphosphine chalcogenide samples in the mass spectrum upon electrospray ionization. For each metal ligand complex of interest, the parent ion was isolated and collision induced dissociation fragmentation spectra were acquired. We observed clusters of group I metal with triphenylphosphine oxide, triphenyl phosphine sulfide, and triphenylphosphine selenide, with homodimers and heterodimer formation. In samples where the ligands were mixed, we observed mixed sodium ligand clusters at varying amounts. These mixed ligand clusters were fragmented. Metal clusters of mixed ligand dimers containing triphenylphosphine oxide showed preferential loss of the other ligand, either triphenylphosphine sulfide or triphenyl selenide. In samples with mixed triphenylphosphine sulfide and triphenylphosphine selenium ligands, sodium bound similarly between the ligands, and losses were more evenly split, showing loss ratio upon CID with losses of triphenylphosphine sulfide:triphenylphosphine selenide 43:57 ratio observed on CID. These results suggest that the oxide binds significantly more strongly than either the selenium or sulfur triphenylphosphine ligand, and the sulfur and selenium ligands are more evenly bound. Calculations were performed using density functional theory to calculate likely structures and bond energies between the group I metal and the ligands. Novel Aspect Novel analysis of sodium bound dimers with chalcogenide triphenylphosphine ligands were investigated using mass spectrometry and theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Temperature dependence of London penetration depth anisotropy in superconductors with anisotropic order parameters

Here, we study the effects of anisotropic order parameters on the temperature dependence of London penetration depth anisotropy γ λ ( T ) . After MgB 2 , this dependence is commonly attributed to distinct gaps on multiband Fermi surfaces in superconductors. We have found, however, that the anisotropy parameter may depend on temperature also in one-band materials with anisotropic order parameters Δ ( T , k F ) ; a few such examples are given. We have also found that for different order parameters, the temperature dependence of Δ ( T ) / Δ ( 0 ) can be represented with good accuracy by the interpolation suggested by Einzel, which simplifies considerably the evaluation of γ λ ( T ) . Of particular interest are mixed order parameters of two symmetries for which γ λ ( T ) may go through a maximum for a certain relative weight of two phases. Also, for this case we find that the ratio Δ max ( 0 ) / T c may exceed substantially the weak-coupling limit of 1.76. It, however, does not imply strong coupling; rather, it is due to significantly anisotropic angular variation of Δ .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pressure Induced Topological Quantum Phase Transition in Weyl Semimetal T d -MoTe 2

In this paper, we report the temperature and pressure (p max ≃1.5 GPa) evolution of the crystal structure of the Weyl semimetal T d -MoTe 2 by combination of neutron diffraction and the X-ray total scattering experiments. We find that the fundamental non-centrosymmetric structure T d is fully suppressed and transforms into a centrosymmertic 1T' structure at a critical pressure of p cr ~ 1.2–1.4 GPa. This is strong evidence for a pressure induced quantum phase transition (QPT) between topological to a trivial electronic state. Although the topological QPT has strong effect on magnetoresistance, it is interesting that the superconducting (SC) critical temperature T c , the superfluid density, and the SC gap all change smoothly and continuously across p cr and no sudden effects are seen concomitantly with the suppression of the T d structure. This implies that the T c , and thus the SC pairing strength, is unaffected by the topological QPT. However, the QPT requires the change in the SC gap symmetry from non-trivial s +- to a trivial s ++ state, which we discuss in this work. Our systematic characterizations of the structure and SC properties associated with the topological QPT provide deep insight into the pressure induced phase diagram in this topological quantum material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

High Velocity Clouds

We calculate the thermal equilibrium gas temperature of high velocity clouds (HVCs) in the Galactic Halo. Our method accounts for the photoelectric heating from small grains and PAHs, and includes a detailed treatment of the ionization rates and heating due to the soft X-ray background and due to cosmic rays. Phase diagrams (thermal pressure P versus gas density n) are presented for gas with a range of dust/gas ratios (D/G) and a range of metallicities (Z). Variations in D/G affect mainly the photoelectric heating rate, while variations in Z affect both the photoelectric heating and gas cooling. Curves are shown for D/G = 1 (local value) to D/G less than approx. equal to 0.005 and for Z=1 (local value) to Z= 0.005. We find that a two phase medium (CNM + WNM) can be in pressure equilibrium with a hot (T approximately 1-2 x 10(exp 6) K) halo within a range of permitted pressures, P(sup min) to P(sup max). We take halo parameters consistent with observed properties of the soft X-ray background. In general, both P(sup min) and P(sup max) decrease with lower D/G due to a drop in photoelectric heating from grains, while. P(sup min) and P(sup max) increase with lower Z due to a drop in gas coolants. We demonstrate that successful two phase models can be constructed with pressure in the range 10(exp 3) less than approximately equal to P/k less than approximately equal to 10(exp 4) K cm(exp -3) consistent with the thermal pressure in the Galactic disk. In addition, using the observed relation between CNM density and distance in HVCs, (n = 75/fDkpc cm(exp -3); Wakker & Schwarz 1991, AA, 250, 484) we show that our pressure curves constrain the allowed range of HVC heights to be between 0.3 - 16 kpc.

Wolfire, M. G.↗
NASA NTRS1983

Measurements of mantle wave velocities and inversion for lateral heterogeneity and anisotropy. I - Analysis of great circle phase velocities

The global lateral heterogeneity of the upper mantle is investigated using the classical Fourier-transform method of Sato(1958) and IDA/GDSN data from 25 1980 earthquakes. The great-circle phase velocities of 200 Love and 250 Rayleigh 100-330-sec-period fundamental-mode wave paths are determined and interpreted in terms of regional phase-velocity variation, using additional data on surface tectonics to extrapolate odd-harmonic information from the even-harmonic data. The results are presented in extensive tables, maps, and graphs. Regionalized inversion using the seven-region model of Okal (1977) is found to give maximum variance reductions of 65 percent for Love waves and 85 percent for Rayleigh waves, compared to 60 and 90 percent for l(max) = 2 inversion. Significant interregion differences are found in the regionalized Love-wave phase velocities.

Nakanishi, I.↗
NASA NTRS1980

Observations of a nonthermal ion layer at the plasma sheet boundary during substorm recovery

Measurements of the energy and angular distributions of energetic protons and alpha particles (not less than 30 keV/charge) in the geomagnetic tail are presented. The measurements were made during the recovery phase of a geomagnetic substorm on Apr. 19, 1978, with the Max-Planck-Institut/University of Maryland sensor system on the Isee 1 satellite. The measurements were also correlated with plasma observations made by the LASL/MPE instrument on Isee 1. The data reveal the presence of a thin nonthermal layer of protons and alpha particles at the plasma sheet boundary. The particles have their maximum flux at 60 keV/charge and are streaming highly collimated in the earthward direction. The alpha particle layer is confined within the proton layer. Many aspects of the observations are in agreement with an acceleration model near the neutral line proposed by Jaeger and Speiser (1974)

Moebius, E.↗
DOE OSTI2024

True random number generation using the spin crossover in LaCoO 3

While digital computers rely on software-generated pseudo-random number generators, hardware-based true random number generators (TRNGs), which employ the natural physics of the underlying hardware, provide true stochasticity, and power and area efficiency. Research into TRNGs has extensively relied on the unpredictability in phase transitions, but such phase transitions are difficult to control given their often abrupt and narrow parameter ranges (e.g., occurring in a small temperature window). Here we demonstrate a TRNG based on self-oscillations in LaCoO 3 that is electrically biased within its spin crossover regime. The LaCoO 3 TRNG passes all standard tests of true stochasticity and uses only half the number of components compared to prior TRNGs. Assisted by phase field modeling, we show how spin crossovers are fundamentally better in producing true stochasticity compared to traditional phase transitions. As a validation, by probabilistically solving the NP-hard max-cut problem in a memristor crossbar array using our TRNG as a source of the required stochasticity, we demonstrate solution quality exceeding that using software-generated randomness.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

On the Observed Changes in Upper Stratospheric and Mesospheric Temperatures from UARS HALOE

Temperature versus pressure or T(p) time series from the Halogen Occultation Experiment (HALOE) on the Upper Atmosphere Research Satellite (UARS) have been extended and re-analyzed for the period of 1991-2005 and for the upper stratosphere and mesosphere in 10-degree wide latitude zones from 60S to 60N. Even though sampling from a solar occultation experiment is somewhat limited, it is shown to be quite adequate for developing both the seasonal and longer-term variations in T(p). Multiple linear regression (MLR) techniques were used in the re-analyses for the seasonal and the significant interannual, solar cycle (SC-like or decadal-scale), and linear trend terms. A simple SC-like term of 11-yr period was fitted to the time series residuals after accounting for the seasonal and interannual terms. Highly significant SC-like responses were found for both the upper mesosphere and the upper stratosphere. The phases of these SC-like terms were checked for their continuity with latitude and pressure-altitude, and in almost all cases they are directly in-phase with that of standard proxies for the solar flux variations. The analyzed, max minus min, responses at low latitudes are of order 1 K, while at middle latitudes they are as large as 3 K in the upper mesosphere. Highly significant, linear cooling trends were found at middle latitudes of the middle to upper mesosphere (about -2 K/decade), at tropical latitudes of the middle mesosphere (about -1 K/decade), and at 2 hPa (or order -1 K/decade).

Remsberg, Ellis E.↗
DOE OSTI2025

Complexions at the iron-magnetite interface

Synthesizing distinct phases and controlling crystalline defects are key concepts in materials design. These approaches are often decoupled, with the former grounded in equilibrium thermodynamics and the latter in nonequilibrium kinetics. By unifying them through defect phase diagrams, we can apply phase equilibrium models to thermodynamically evaluate defects—including dislocations, grain boundaries, and phase boundaries—establishing a theoretical framework linking material imperfections to properties. Using scanning transmission electron microscopy (STEM) with differential phase contrast (DPC) imaging, we achieve the simultaneous imaging of heavy Fe and light O atoms, precisely mapping the atomic structure and chemical composition at the iron-magnetite (Fe/Fe 3 O 4 ) interface. We identify a well-ordered two-layer interface-stabilized phase state (referred to as complexion) at the Fe[001]/Fe 3 O 4 [001] interface. Using density-functional theory (DFT), we explain the observed complexion and map out various interface-stabilized phases as a function of the O chemical potential. The formation of complexions increases interface adhesion by 20% and alters charge transfer between adjacent materials, impacting transport properties. Our findings highlight the potential of tunable defect-stabilized phase states as a degree of freedom in materials design, enabling optimized corrosion protection, catalysis, and redox-driven phase transitions, with applications in materials sustainability, efficient energy conversion, and green steel production.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Synoptic Study of an X-Ray Nova in Outburst (ADP 2000)

In the completed work listed above, we present an X--ray spectral and timing analysis of 4131543-47 during its 2002 outburst based on 49 pointed observations obtained using the Rossi X-ray Timing Explorer (RXTE). The outburst reached a peak intensity of 4.2 Crab in the 2-12 keV band and declined by a factor of 32 throughout the month-long observation. A 21.9+/-0.6 mJy radio flare was detected at 1026.75 MHz two days before the X-ray maximum; the radio source was also detected late in the outburst, after the X-ray source entered the hard state. The X-ray light curve exhibits the classic shape of a rapid rise and an exponential decay. The spectrum is soft and dominated by emission from the accretion disk. The continuum is fit with a multicolor disk blackbody (kT-max = 1.04 keV) and a power-law (Gamma -2.7). Midway through the decay phase, a strong low-frequency quasi-periodic oscillation (QPO; nu = 7.3-8.1 Hz) was present for several days. The spectra feature a broad Fe K line that is asymmetric, suggesting that the line is due to relativistic broadening rather than Gomptonization. Relativistic Laor models provide much better fits to the line than non-relativistic Gaussian models, particularly near the beginning and end of our observations. The line fits yield estimates for the inner disk radius that are within 6 GM/c 2; this result and additional evidence indicates that this black hole may have a non-zero angular momentum. In current work, we are in the process of analyzing a huge set of RXTE data (-100 pointed observations) for H1743-322, which was in eruption throughout most of 2003. The source s behavior is remarkable. It displays all of the canonical X-ray states, sometimes in unusual ways. In this short report, we feature a single important result, namely, the detection of a pair of high-frequency QPOs. The bright flaring behavior is of special interest. During the flares the shape of the power spectrum and the presence of low-frequency QPOs indicate that the source is in the steep power-law (SPL or very high) state. It is in this state that the high-frequency QPOs, which are believed to emanate from the very inner accretion disk, were oberved. Specifically, we observe a 240 Hz QPO at a significance of 4.7sigma and a 162 Hz QPO at 3.7sigma. The higher frequency QPO was discovered by Homan et al. in an independent data set; they also found marginal evidence (2.5sigma)

McClintock, Jeffrey↗
DOE OSTI2021

Metal nitride materials for solar-thermal ammonia production [Slides]

Solar Thermal Ammonia Production has the potential to synthesize ammonia in a green, renewable process that can greatly reduce the carbon footprint left by the conventional Haber-Bosch reaction. Co 3 Mo 3 N has been identified as a potential candidate for ammonia production. It is synthesized via oxide precursor synthesis followed by nitridation under 10% H 2 /N 2 . The synthesis method can be extended to other candidate nitrides. The Co 3 Mo 3 N → Co 6 Mo 6 N reduction is demonstrated on TGA with rapid kinetics. The formation of NH 3 is qualitatively observed, but not quantitatively determined. The material retains crystal structure, but no secondary phases are observed in XRD. Partial re-nitridation back to CMN331 of ~35% of max nitridation is observed. Reaction parameters in TGA differ from experimental conditions in the literature. Experiments at Georgia Tech better mimic re-nitridation conditions with more sensitive, quantitative analytical techniques (GC-MS). The ASU NH 3 synthesis/re-nitridation reactor is under development and will permit experiments (reduction/re-nitridation) under precisely controlled T, pH 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Comment on 'A non-mass-dependent isotopic fractionation effect' by F. Robert, J. Halbout and J. Baudon

The fractionation model of Robert et al. (1988) treats the gas-phase isotopic exchange reaction between kinetically excited atoms aX and diatomic MbX yielding bX and MaX and finds an abundance-dependent fractionation superimposed on the usual mass dependent fractionation. This paper shows that the treatment of Robert et al. is in error and presents a more straightforward treatment of the same system. This model shows only mass-dependent fractionation.

Sund, Mark T.↗
NASA NTRS2008

On the Response of Halogen Occultation Experiment (HALOE) Stratospheric Oxone and Temperature to the 11-yr Solar Cycle Forcing

Results are presented on responses in 14-yr time series of stratospheric ozone and temperature from the Halogen Occultation Experiment (HALOE) of the Upper Atmosphere Research Satellite (UARS) to a solar cycle (SC-like) variation. The ozone time series are for ten, 20-degree wide, latitude bins from 45S to 45N and for thirteen "half-Umkehr" layers of about 2.5 km thickness and extending from 63 hPa to 0.7 hPa. The temperature time series analyses were restricted to pressure levels in the range of 2 hPa to 0.7 hPa. Multiple linear regression (MLR) techniques were applied to each of the 130 time series of zonally-averaged, sunrise plus sunset ozone points over that latitude/pressure domain. A simple, 11-yr periodic term and a linear trend term were added to the final MLR models after their seasonal and interannual terms had been determined. Where the amplitudes of the 11-yr terms were significant, they were in-phase with those of the more standard proxies for the solar uv-flux. The max minus min response for ozone is of order 2 to 3% from about 2 to 5 hPa and for the latitudes of 45S to 45N. There is also a significant max minus min response of order 1 K for temperature between 15S and 15N and from 2 to 0.7 hPa. The associated linear trends for ozone are near zero in the upper stratosphere. Negative ozone trends of 4 to 6%/decade were found at 10 to 20 hPa across the low to middle latitudes of both hemispheres. It is concluded that the analyzed responses from the HALOE data are of good quality and can be used to evaluate the responses of climate/chemistry models to a solar cycle forcing.

Remsberg, E. E.↗