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Machine Learning Based Aerosol and Ocean Color Joint Retrieval Algorithm for Multiangle Polarimeters over Coastal Waters

NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission, recently launched in February 2024, carries two multiangle polarimeters (MAPs): the UMBC Hyper-Angular Rainbow Polarimeter (HARP2) and SRON Spectropolarimeter for Planetary Exploration One (SPEXone). Measurements from these MAPs will greatly advance ocean ecosystem and aerosol studies as their measurements contain rich information on microphysical properties of aerosols and hydrosols. The Multi-Angular Polarimetric Ocean coLor (MAPOL) joint retrieval algorithm has been developed to retrieve aerosol and ocean color information, which uses a vector radiative transfer (RT) model as the forward model. The RT model is computationally expensive, which makes processing a large amount of data challenging. FastMAPOL was developed to expedite retrieval using neural networks to replace the RT forward models. As a prototype study, FastMAPOL was initially limited to open ocean applications where the ocean Inherent Optical Properties (IOPs) were parameterized in terms of one parameter: chlorophyll-a concentration (Chla). In this study we further expand the FastMAPOL joint retrieval algorithm to incorporate NN based forward models for coastal waters, which use multi-parameter bio-optical models. In addition, aerosols are represented by six components, i.e., fine mode non absorbing insoluble (FNAI), brown carbon (BrC), black carbon (BC), fine mode non absorbing soluble (FNAS), sea salt (SS) and non-spherical dust (Dust). Sea salt and dust are coarse mode aerosols, while the other components are in the fine mode. The sizes and spectral refractive indices are fixed for each aerosol component, while their abundances are retrievable. The multi-parameter bio-optical model and aerosol components are chosen to represent the coastal marine environment. The retrieval algorithm is applied to synthetic measurements in three different configurations ofMAPs in the PACE mission: HARP2 observations only, SPEXone observations only and combined HARP2 and SPEXone observations. The retrieval results from synthetic measurements show that for aerosol retrieval the SPEXone-only configuration works equally well with the HAPR2-only configuration. On the other hand, for ocean color retrieval the SPEXone instrument provides better information due to its larger spectral coverage. For the surface parameters (wind speed), HARP2 measurements provide better information due to its wide field of view. Combined measurement configuration HARP2+SPEXone performed the best to retrieve all aerosol, ocean color and surface parameters. We also studied the impact of sun glint to aerosol and ocean color retrievals. The retrieval test revealed that wind speed and absorbing aerosol retrieval improves significantly when including measurements at glint geometries. Furthermore, the retrieval algorithm is equipped with modules for atmospheric correction and bidirectional reflectance distribution (BRDF) correction to obtain the remote sensing reflectance, which enables ocean biogeochemistry studies using the PACE polarimeter data.

PACE↗

A Transmission Electron Microscopy Study of a Refractory Metal Grain from a Calcium-Aluminum-Rich Inclusion in the Leoville CV3 Chondrite

Introduction: Calcium-aluminum-rich inclusions (CAIs) are an important component of chondritic meteorites. They can contain materials that are thermodynamically predicted and isotopically age dated to be among the first-formed solids in our solar system [1-5]. Observed in some CAIs are micron to sub-micron sized inclusions rich in Fe, Ni, and high-Z elements such as Pt, Os, Ir and W, in the form of refractory metal nuggets (RMNs), fremdlinges, and ‘nugget like objects’ (NLOs) [1,6]. Refractory siderophile elements such as Os, Ir and Ru are thermodynamically predicted to condense at temperatures well in excess of the major CAI phases such as melilite, perovskite, spinel and hibonite [2,7-9]. These refractory metal inclusions in CAIs can therefore serve as probes into the thermodynamic landscape of the early solar protoplanetary disk. Here we report on a refractory grain identified in a CAI of the Leoville CV3 chondrite. This work is part of an ongoing effort to gain insight into the thermochemistry of the early solar system through systematic analyses of the structure and chemistry of various components in CAIs [10-13]. Sample and Analytical Techniques: A fluffy type A CAI (Fig. 1A) was identified in a section of the Leoville, CV3 chondrite (Center for Meteorite Studies, Arizona State University collection, #821_C_3) using a JOEL-JXA 8530F electron microprobe at Arizona State University. Backscattered electron (BSE) imaging and energy-dispersive X-ray spectroscopy (EDS) were used to identify refractory metal grains in the CAI using a Thermo Fisher (formerly FEI) Helios NanoLab 660 G3 focused-ion-beam scanning-electron microscope (FIBSEM) located at the Kuiper Materials Imaging and Characterization Facility (KMICF) at the Lunar and Planetary Laboratory, University of Arizona. The FIB is equipped with an EDAX EDS system. We selected one of the larger (micron-sized) refractory metal grains, designated as ‘Spud’ (Fig. 1B) for further analysis. ‘Spud’ was extracted and thinned to electron transparency (<100 nm) using the FIB-SEM located in KMICF, following methods described by [14- 15]. The FIB section was analyzed using a 200 keV Hitachi HF5000 scanning transmission electron microscope (S/TEM) located at KMICF. The HF5000 is equipped with cold-field emission gun, 3rd-order spherical aberration corrector for STEM imaging, and an Oxford Instruments X-Max N 100 TLE energydispersive spectroscopy (EDS) system with dual 100 mm2 windowless silicon-drift detectors (Ω = 2.0 sr). Selected-area electron-diffraction (SAED) patterns were acquired to aid in determination of crystallinity and phase. Results: The mineralogy, texture, and morphology of the CAI are consistent with that of a fluffy type A (FTA) CAI [16]. BSE imaging at high magnifications revealed grains with high contrast, indicative of compositions rich in elements of higher atomic number relative to surrounding material. These high-Z grains have sizes that range from ∼250 nm to 4 µm. EDS analyses confirm that the bright grains are metal-rich inclusions. A minor fraction of the grains are composed of only Fe and Ni, but the majority (∼60%) of the identified inclusions also contained various refractory siderophiles including Os, Ru, Zr, Ir and Mo. EDS analysis on the FIB-SEM of Spud shows that it contains Fe, Ni, Mo and Ru. High-angle annular dark-field (HAAFD) imaging and EDS mapping in the TEM (Fig. 2) show that Spud occurs in melilite (Ca1.9Al1.99Si1.06O7). Spud contains a subhedral to anhedral morphology and is compositionally heterogenous (polyphasic, Fig. 2). Local spatial correlation occurs among Fe, Ni, and Pt, and also among Os, Ru, and Mo. SAED patterns show that the Fe-Ni-Pt, Fe-Os-Mo-Ru and Fe-Pt regions are crystalline. Discussion: CAIs can contain various types of inclusions rich in Fe, Ni and refractory siderophiles such as Os, Ru, W and Pt [1]. RMNs are micron-sized, single phase alloy grains and can contain Os, Ir, Ru and Rh [1,7,17]. NLOs are also micron-sized inclusions, but contain two phases, a refractory metal, and an oxide [6]. Fremdlinge are the largest of such inclusions (tens of microns in size) and are complex aggregates of Fe-Ni alloy, silicates, oxides, and sulfides [1,17]. While the size of Spud matches previous descriptions of RMNs and NLOs, Spud is neither a single-phase alloy like RMNs, nor does it contain one metal phase and one oxide like NLOs. Spud does not match the above described categories of refractory metal inclusions. The presence of refractory siderophiles such as Mo, Os, Ru, and Pt suggests a high-temperature origin. Thermodynamic modelling by [7] indicates condensation temperatures of 1917 K, 1693 K, 1613 K and 1415 K for Os, Mo, Ru and Pt respectively. These models also show that following the initial condensation of a refractory metal, alloying of solutes such as Fe, Ni and W, occurs in levels proportional to their partial pressures in the surrounding gas. Such alloying occurs at temperatures above the condensation temperatures of common CAI phases such as melilite (1529 K), perovskite (1441 K), spinel (197 K) and forsterite (1354 K) [2]. The polyphasic nature of Spud could be the result of such high-temperature alloying, possibly shortly after the condensation of Mo and Ru at 1693 K and 1613 K respectively. That Spud occurs as an inclusion is consistent with it having formed prior to and at temperature above that of its host melilite in this FTA CAI, which is qualitatively consistent with such prior thermodynamic modeling. Further, the polyphasic nature of Spud is similar to refractory grains from a FTA CAI in the Northwest Africa (NWA) 8323, CV3 chondrite [11-13]. These data suggest that such refractory metal grains could have been widespread in the inner and early solar protoplanetary disk and represent some of the earliest formed solids to have condensed. Acknowledgments: Research and instrumentation supported by NASA grants #NNX12AL47G, #NNX15AJ22G and #80NSSC19K0509, and NSF grants #1531243 and #0619599. Fig 2. STEM data on ‘Spud’. HAADF Image (Top) False-color EDS Maps (Bottom) References: [1] MacPherson G. J. (2014) T. of Geochem. Vol I: Met. And Cosmochem. Processes, 139-179. [2] Lodders K. (2003) ApJ, 591, 1220-1247. [3] Ebel D. S. (2006) Met. & the Early S. Sys. II., 253- 277. [4] Amelin Y. (2002) Science, 297, 1678-1683. [5] Connelly J.N. et.al. (2012) Science, 338, 651-655. [6] Schwander D. et al. (2015) GCA, 18, 70-87. [7] Palme H. and Wlotzka F. (1976) EPSL, 33, 45-60. [8] Berg T. et al. (2009) ApJ, 702, 172-176. [9] Liffman K. et al. (2021) Icarus, 221, 89-105. [10] Zega T.J. et al. (2021) PSJ, 2, 115. [11] Ramprasad T. et al. (2020) LPSC LI, Abstract #2472. [12] Ramprasad T. et al. (2021) Microscopy & Microanalysis, S1, 2792-2794. [13] Ramprasad T. et al. (2021) 84th MetSoc, Abstract #6123. [14] Zega T.J. et al. (2007) MAPS, 42, 1373-1386. [15] Ramprasad T. et al. (2022) MAPS, in revision. [16] Grossman L. (1975), GCA, 39, 433-454. [17] El Goresy A. et al. (1978) LPSC IX, Abstract#1100

T. Ramprasad↗

Direct numerical simulation of turbulent dispersion of evaporative aerosol clouds produced by an intense expiratory event

Airborne particles are a major route for transmission of COVID-19 and many other infectious diseases. When a person talks, sings, coughs, or sneezes, nasal and throat secretions are spewed into the air. After a short initial fragmentation stage, the expelled material is mostly composed of spherical particles of different sizes. While the dynamics of the largest droplets are dominated by gravitational effects, the smaller aerosol particles, mostly transported by means of hydrodynamic drag, form clouds that can remain afloat for long times. In subsaturated air environments, the dependence of pathogen-laden particle dispersion on their size is complicated due to evaporation of the aqueous fraction. Particle dynamics can significantly change when ambient conditions favor rapid evaporation rates that result in a transition from buoyancyto-drag dominated dispersion regimes. To investigate the effect of particle size and evaporation on pathogen-laden cloud evolution, a direct numerical simulation of a mild cough was coupled with an evaporative Lagrangian particle advection model. The results suggest that while the dispersion of cough particles in the tails of the size distribution are unlikely to be disrupted by evaporative effects, preferential aerosol diameters (30-40 μm) may exhibit significant increases in the residence time and horizontal range under typical ambient conditions. Using estimations of the viral concentration in the spewed fluid and the number of ejected particles in a typical respiratory event, we obtained a map of viral load per volume of air at the end of the cough and the number of virus copies per inhalation in the emitter vicinity.

60 APPLIED LIFE SCIENCES↗

Mars Orbiter Sample Return Power Design

Mars has greatly intrigued scientists and the general public for many years because, of all the planets, its environment is most like Earth's. Many scientists believe that Mars once had running water, although surface water is gone today. The planet is very cold with a very thin atmosphere consisting mainly of CO2. Mariner 4, 6, and 7 explored the planet in flybys in the 1960s and by the orbiting Mariner 9 in 1971. NASA then mounted the ambitious Viking mission, which launched two orbiters and two landers to the planet in 1975. The landers found ambiguous evidence of life. Mars Pathfinder landed on the planet on July 4, 1997, delivering a mobile robot rover that demonstrated exploration of the local surface environment. Mars Global Surveyor is creating a highest-resolution map of the planet's surface. These prior and current missions to Mars have paved the way for a complex Mars Sample Return mission planned for 2003 and 2005. Returning surface samples from Mars will necessitate retrieval of material from Mars orbit. Sample mass and orbit are restricted to the launch capability of the Mars Ascent Vehicle. A small sample canister having a mass less than 4 kg and diameter of less than 16 cm will spend from three to seven years in a 600 km orbit waiting for retrieval by a second spacecraft consisting of an orbiter equipped with a sample canister retrieval system, and a Earth Entry Vehicle. To allow rapid detection of the on-orbit canister, rendezvous, and collection of the samples, the canister will have a tracking beacon powered by a surface mounted solar array. The canister must communicate using RF transmission with the recovery vehicle that will be coming in 2006 or 2009 to retrieve the canister. This paper considers the aspect and conclusion that went into the design of the power system that achieves the maximum power with the minimum risk. The power output for the spherical orbiting canister was modeled and plotted in various views of the orbit by the Satellite Orbit Analysis Program (SOAP).

Mardesich, N.↗

Experimental and Computational Analysis of NEAMS Pebble Bed Reactors

The Advanced High-Temperature Pebble Bed Reactor concept leverages a particle-based fuel format consisting of discrete spherical graphite pebbles arrayed in a packed bed architecture. Thermal regulation achieved via flow of gas (e.g., helium) or liquid (e.g., molten salt) coolants through the void spaces between pebbles in the bed (characteristic pebble diameters: ~ 6 cm, gas cooled; ~ 3 cm, liquid cooled). This design is of interest owing to inherent advantages including passive safety features and highly efficient heat transfer characteristics that enable high power densities to be achieved. Fully leveraging these advantages requires a fundamental understanding of the complex coolant flow structure within the pebble-shaped fuel bed. Unfortunately, complexities associated with non-invasively probing the micro-scale flow phenomena within the complex network of void spaces between pebbles have hindered efforts to characterize the underlying transport phenomena. Without this fundamental foundation, it becomes challenging to rationally construct macroscopic transport models based upon volume averages of micro-scale parameters that accurately capture the observed flow behavior. Consequently, this lack of fundamental knowledge has limited previous work to coarse comparisons between theory and extremely limited experimental data. Moreover, these comparisons have been made only in terms of integral or macroscopic results. Therefore, multipoint measurements with a high level of spatial and temporal resolution are critically needed to fully map the complex flow patterns and to provide data at high spatial density to permit accurate volume averaging in the pebble bed. For this project, we performed a coordinated experimental and computational effort to quantitatively map the full-field velocity and temperature fields in the interstitial spaces within the pebble bed. The major accomplishments of this project included the important knowledge acquired for the flow mixing and heat transfer in the interstitial pore scales, the effects of flow mixing in the near-wall and far-wall regions, and the by-pass flows of pebble bed systems. The produced high-resolution experimental data (not broadly available in existing literature) were then used for the numerical studies enabling the refinement and validation of standard simulation tools (Nek5000).

42 ENGINEERING↗

Wavespace-Based Coherent Deconvolution

Array deconvolution is commonly used in aeroacoustic analysis to remove the influence of a microphone array's point spread function from a conventional beamforming map. Unfortunately, the majority of deconvolution algorithms assume that the acoustic sources in a measurement are incoherent, which can be problematic for some aeroacoustic phenomena with coherent, spatially-distributed characteristics. While several algorithms have been proposed to handle coherent sources, some are computationally intractable for many problems while others require restrictive assumptions about the source field. Newer generalized inverse techniques hold promise, but are still under investigation for general use. An alternate coherent deconvolution method is proposed based on a wavespace transformation of the array data. Wavespace analysis offers advantages over curved-wave array processing, such as providing an explicit shift-invariance in the convolution of the array sampling function with the acoustic wave field. However, usage of the wavespace transformation assumes the acoustic wave field is accurately approximated as a superposition of plane wave fields, regardless of true wavefront curvature. The wavespace technique leverages Fourier transforms to quickly evaluate a shift-invariant convolution. The method is derived for and applied to ideal incoherent and coherent plane wave fields to demonstrate its ability to determine magnitude and relative phase of multiple coherent sources. Multi-scale processing is explored as a means of accelerating solution convergence. A case with a spherical wave front is evaluated. Finally, a trailing edge noise experiment case is considered. Results show the method successfully deconvolves incoherent, partially-coherent, and coherent plane wave fields to a degree necessary for quantitative evaluation. Curved wave front cases warrant further investigation. A potential extension to nearfield beamforming is proposed.

Bahr, Christopher J.↗

The Far-Infrared Polarization Spectrum of Ρ Ophiuchi A from HAWC+/SOFIA Observations

We report on polarimetric maps made with HAWC+/SOFIA toward ρ Oph A, the densest portion of the ρ Ophiuchi molecular complex. We employed HAWC+ bands C (89 μm) and D (154 μm). The slope of the polarization spectrum was investigated by defining the quantity R(sub DC) = p(sub D)/p(sub C), where p(sub C) and p(sub D) represent polarization degrees in bands C and D, respectively. We find a clear correlation between R(sub DC) and the molecular hydrogen column density across the cloud. A positive slope (R(sub DC) > 1) dominates the lower-density and well- illuminated portions of the cloud, which are heated by the high-mass star Oph S1, whereas a transition to a negative slope (R(sub DC) < 1) is observed toward the denser and less evenly illuminated cloud core. We interpret the trends as due to a combination of (1) warm grains at the cloud outskirts, which are efficiently aligned by the abundant exposure to radiation from Oph S1, as proposed in the radiative torques theory; and (2) cold grains deep in the cloud core, which are poorly aligned owing to shielding from external radiation. To assess this interpretation, we developed a very simple toy model using a spherically symmetric cloud core based on Herschel data and verified that the predicted variation of R(sub DC) is consistent with the observations. This result introduces a new method that can be used to probe the grain alignment efficiency in molecular clouds, based on the analysis of trends in the far-infrared polarization spectrum.

Santos, Fabio P.↗

Second Annual Progress Report on Correlation Between Microstructure and Mechanical Properties of Neutron-Irradiated Ferritic-Martensitic and Austenitic Steels

Ferritic-martensitic steels G92-2b (an optimized Grade 92 heat), NF616 and T91, and austenitic stainless steel 800H and its Grain Boundary Engineering (GBE)-treated version 800H-TMP (ThermoMechanical Processing) were irradiated in the High Flux Isotope Reactor (HFIR) of Oak Ridge National Laboratory (ORNL) and the Advanced Test Reactor (ATR) of Idaho National Laboratory (INL). Selected G92-2b samples were irradiated up to 14.66 dpa in the HFIR at two temperature ranges: 400–496.7°C and 683.3– 720°C. NF616 and T91 were irradiated in the ATR up to 8.16 dpa with the irradiation temperatures ranged from 241°C to 447.5°C. Alloy 800H and 800H-TMP samples were irradiated in both the HFIR and the ATR. Selected 800H and 800H-TMP samples had HFIR irradiation to 1.28 dpa at 580°C and ATR irradiation up to 9.12 dpa at 359°C to 431°C. Vickers hardness measurements, fractography, and microstructural characterization were performed on the selected samples in the Low Activation Materials Design and Analysis (LAMDA) laboratory. Radiation-hardening of G92-2b was observed at the lower doses and lower irradiation temperatures (400- 496.7°C), with GB03 (0.52 dpa at 400°C) and GB04 (7.44 dpa at ~490°C) showing ~12% and ~8% hardening, respectively. Softening by ~14% was observed for GB05 (14.66 dpa at 496.7°C). Radiationsoftening of G92-2b was more prevalent at the higher irradiation temperatures (683.3-~720°C), with GB10 (0.46 dpa at 683.3°C), GB11 (7.44 dpa at ~720°C), and GB12 (14.63 dpa at ~720°C) showing ~8%, ~8%, and ~40% softening, respectively. Radiation-hardening of NF616 and T91 was observed with the hardness increased by ~37% to ~65% depending on the irradiation doses and irradiation temperatures. Within the studied irradiation conditions of NF616 and T91, samples with a higher dose had a larger hardness after irradiation. All the tested alloy 800H and 800H-TMP samples in this work showed radiation-hardening by ~96±7% to ~152±10%. Alloy 800H-TMP tended to have slightly smaller radiation-hardening than alloy 800H. The fractography results of G92-2b sample GB03, GB10, and GB11, together with the previously characterized fractography of GB04, GB05, and GB12, indicated that the ductility of G92-2b was maintained up to 14.66 dpa at the lower irradiation temperatures of 400-496.7°C, while some loss of ductility (less necking) was observed for higher doses at the higher irradiation temperatures of 683.3-720°C. This agrees with the previously reported tensile test results of G92-2b, where the elongation of G92-2b was reduced at higher doses at the higher irradiation temperatures. Dimple sizes increased at higher doses, which are more evident at the higher irradiation temperatures of 683.3-~720°C. The fractography of NF616 sample D2 (2.96 dpa at 291.5°C), D4 (5.91 dpa at 359°C), and D6 (8.16 dpa at 431°C) indicated loss of ductility with negligible necking for sample D2, while ductile failure for samples D4 and D6. Fractography of alloy 800H and 800H-TMP samples in various irradiation conditions showed ductile failure with obvious necking. Dimples were observed, with some of them containing large Ti-rich particles, in all the 800H/800H-TMP samples. Electron backscatter diffraction characterization of GB12 indicated the recovery of the lath structure, which was generally replaced by an equiaxed grain structure. Transmission electron microscopy (TEM) characterization showed the presence of frequent M 23 C 6 (M = primarily Cr), MX (M = primarily V), spherical Nb(C,N) precipitates, and occasional Laves phase precipitates in the G92-2b samples. MX precipitates with sizes of 20-30 nm were observed at boundaries of smaller grains, indicating the pinning effect of the V-rich precipitates. The lath structure recovery was more evident at the higher irradiation temperatures (683.3-~720°C), with decreased densities of line dislocations and M23C6 precipitates. The irradiated T91 (TA04) showed the growth of M23C6 precipitates to 101 ± 40 nm from the initial 68 ± 22 nm in the unirradiated condition. Dislocation loops of both {100} and {111} types were present in TA04. TEM characterization was also performed on the irradiated 800H (N4, N5, N6, and AR2) and 800H-TMP (P4, P5, P6, and HG1). Accumulation of M 23 C 6 precipitates at grain boundaries was observed in all the xii 800H/800H-TMP samples, and the presence of Ti(C,N) precipitates at grain boundaries and in the matrix was observed in the irradiated 800H-TMP. Some Ti(C,N) precipitates are embedded in the M 23 C 6 precipitates, maintaining specific orientation relationships between the precipitates and between the precipitate and matrix. In addition, nanoscale Si-rich clusters were observed in the matrix of all the 800H/800H-TMP samples, with EDS Si maps tending to have a lower contrast in 800H-TMP samples. Atom probe tomography was conducted on the same samples, supported by a Rapid Turnaround Examination project under Nuclear Science User Facilities. The results are being analyzed to be integrated with the TEM results for a confident description of the γ’ precipitates. Dislocation loops also formed in all the 800H/800H-TMP samples. The density and the average size of dislocation loops were quantified to be in the order of 10 22 – 10 23 m -3 and 11.7 – 15.9 nm, respectively, in the ATR-irradiated 800H/800H-TMP samples. The loop densities in irradiated 800H were higher than that in irradiated 800H-TMP under the same irradiation conditions. Further systematic data analyses, together with some complementary experiments, will be pursued for these samples to foster peer-reviewed journal article publications.

36 MATERIALS SCIENCE↗

Mapping the dark matter in the NGC 5044 group with ROSAT: Evidence for a nearly homogeneous cooling flow with a cooling wake

The NGC 5044 group of galaxies was observed by the ROSAT Position Sensitive Proportional Counter (PSPC) for 30 ks during its reduced pointed phase (1991 July). Due to the relatively cool gas temperature in the group (kT = 0.98 +/- 0.02 keV) and the excellent photon statistics (65,000 net counts), we are able to determine precisely a number of fundamental properties of the group within 250 kpc of the central galaxy. In particular, we present model-independent measurements of the total gravitating mass, the temperature and abundance profiles of the gas, and the mass accretion rate. Between 60 and 250 kpc, the gas is nearly isothermal with T varies as r(exp (-0.13 +/- 0.03)). The total gravitating mass of the group can be unambiguously determined from the observed density and temperature profiles of the gas using the equation of hydrostatic equilibrium. Within 250 kpc, the gravitating mass is 1.6 x 10(exp 13) solar mass, yielding a mass-to-light ratio of 130 solar mass/solar luminosity. The baryons (gas and stars) comprise 12% of the total mass within this radius. At small radii, the temperature clearly increases outward and attains a maximum value at 60 kpc. The positive temperature gradient in the center of the group confirms the existence of a cooling flow. The cooling flow region extends well beyond the temperature maximum with a cooling radius between 100 and 150 kpc. There are two distinct regions in the cooling flow separated by the temperature maximum. In the outer region, the gas is nearly isothermal with a unifor m Fe abundance of approximately 80% solar, the flow is nearly homogeneous with dot-M= 20 to 25 solar mass/year, the X-ray contours are spherically symmetric, and rho(sub gas) varies as r(exp -1.6). In the inner region, the temperature profile has a positive gradient, the mass accretion rate decreases rapidly inward, the gas density profile is steeper, and the X-ray image shows some substrucutre. NGC 5044 is offset from the centroid of the outer X-ray contours indicating that the central galaxy may have a residual velocity with respect to the center of the group potential. There is also a linear X-ray feature with an extent of approximately 30 kpc with one end coincident with NGC 5044. The X-ray emission from this feature is softer than the ambient gas. We interpret this feature as a 'cooling wake' formed by the accreting gas as it is gravitationally focused into the wake of NGC 5044. One of the most surprising results of our PSPC observation is the discovery of a nearly homogeneous cooling flow. Prior results concerning the mass accretion profile in cooling flows indicate that dot-M varies as r. This relation implies that significant mass deposition occurs at large radii which generates an inhomogeneous flow. The mass accretion rate in the NGC 5044 group is essentially a constant beyond 40 kpc (well within the cooling radius). Significant mass deposition (a declining dot-M) does not commence until the gas accretes to within 40 kpc of the group center where the radiative cooling time is approximately equals 10(exp 9) year. Th is radius also corresponds to the temperature maximum, the break in gas density profile, and the onset of structure in the X-ray image. A Hubble constant of H(sub 0) = 50 km/sec/Mpc is used throughout the paper.

David, Laurence P.↗

Improved Maneuver Reconstructions for the GRAIL Orbiters

Maneuver reconstructions for the Gravity Recovery and Interior Laboratory (GRAIL) A and B lunar orbiters were improved through updates to the orbit determination filter and dynamic models. Consistent reconstructions of the 27 GRAIL A and B maneuvers from the Trans-Lunar Cruise phase in the fall of 2011 through the Transition to Science Formation phase in February 2012 were performed. Standard methods of orbit determination were applied incorporating the latest dynamic models and filter strategies developed by the GRAIL Navigation and Science Teams, including a high resolution, 420 x 420 degree and order lunar spherical harmonic gravity field model. For Trans-Lunar Cruise for GRAIL-A (TLC-A), all maneuvers executed with delta V errors below 5.50 +/- 0.50 mm/s and pointing errors below 0.25 degrees. GRAIL-A lunar orbit maneuvers had delta V errors below 30.0 mm/s and pointing errors below 0.51 degrees. For TLC-B, all maneuvers executed with delta V errors below 8.60 +/- 1.41 mm/s and pointing errors below 0.300 degrees. GRAIL-B maneuvers in lunar orbit executed with maximum delta V errors of 25.0 mm/s and pointing error of 0.43 degrees. These maneuver reconstructions will enable the GRAIL Navigation Team to better characterize the main engine performance of each spacecraft. This will help the Navigation Team to navigate low (greater than 8 km) altitude orbits during the extended mission phase in the fall of 2012.

lunar mapping↗

A New and General Formulation of the Parametric HFGMC Micromechanical Method for Three-Dimensional Multi-Phase Composites

The recent two-dimensional (2-D) parametric formulation of the high fidelity generalized method of cells (HFGMC) reported by the authors is generalized for the micromechanical analysis of three-dimensional (3-D) multiphase composites with periodic microstructure. Arbitrary hexahedral subcell geometry is developed to discretize a triply periodic repeating unit-cell (RUC). Linear parametric-geometric mapping is employed to transform the arbitrary hexahedral subcell shapes from the physical space to an auxiliary orthogonal shape, where a complete quadratic displacement expansion is performed. Previously in the 2-D case, additional three equations are needed in the form of average moments of equilibrium as a result of the inclusion of the bilinear terms. However, the present 3-D parametric HFGMC formulation eliminates the need for such additional equations. This is achieved by expressing the coefficients of the full quadratic polynomial expansion of the subcell in terms of the side or face average-displacement vectors. The 2-D parametric and orthogonal HFGMC are special cases of the present 3-D formulation. The continuity of displacements and tractions, as well as the equilibrium equations, are imposed in the average (integral) sense as in the original HFGMC formulation. Each of the six sides (faces) of a subcell has an independent average displacement micro-variable vector which forms an energy-conjugate pair with the transformed average-traction vector. This allows generating symmetric stiffness matrices along with internal resisting vectors for the subcells which enhances the computational efficiency. The established new parametric 3-D HFGMC equations are formulated and solution implementations are addressed. Several applications for triply periodic 3-D composites are presented to demonstrate the general capability and varsity of the present parametric HFGMC method for refined micromechanical analysis by generating the spatial distributions of local stress fields. These applications include triply periodic composites with inclusions in the form of a cavity, spherical inclusion, ellipsoidal inclusion, discontinuous aligned short fiber. A 3-D repeating unit-cell for foam material composite is simulated.

Haj-Ali, Rami↗

Hubble Space Telescope observations of the dwarf Nova Z Chamaeleontis through two eruption cycles

We have obtained the first high-speed photometry of the eclipsing dwarf nova Z Cha at ultraviolet wavelengths with the Hubble Space Telescope (HST). We observed the eclipse roughly every 4 days over two cycles of the normal eruptions of Z Cha, giving a uniquely complete coverage of its outburst cycle. The accretion disk dominated the ultraviolet light curve of Z Cha at the peak of an eruption; the white dwarf, the bright spot on the edge of the disk, and the boundary layer were all invisible. We were able to obtain an axisymmetric map of the accretion disk at this time only by adopting a flared disk with an opening angle of approximately 8 deg. The run of brightness temperature with radius in the disk at the peak of the eruption was too flat to be consistent with a steady state, optically thick accretion disk. The local rate of mass flow through the disk was approximately 5 x 10(exp -10) solar masses/yr near the center of the disk and approximately 5 x 10(exp -9) solar masses/yr near the outer edge. The white dwarf, the accretion disk, and the boundary layer were all significant contributors to the ultraviolet flux on the descending branches of the eruptions. The temperature of the white dwarf during decline was 18,300 K less than T(sub wd) less than 21,800 K, which is significantly greater than at minimum light. Six days after the maximum of an eruption Z Cha has faded to near minimum light at ultraviolet wavelenghts, but was still approximately 70% brighter at minimum light in the B band. About one-quarter of the excess flux in the B band came from the accretion disk. Thus, the accretion disk faded and became invisible at ultraviolet wavelengths before it faded at optical wavelenghts. The disk did, however, remain optically thick and obscured the lower half of the white dwarf at ultraviolet and possibly at optical wavelenghts for 2 weeks after the eruption ended. By the third week after eruptiuons the eclipse looked like a simple occultation of an unobscured, spherical white dwarf by a dark secondary star. The center of the accretion disk was, therfore, optically thin at ultraviolet wavelenghts and the boundary layer was too faint to be visible.

Robinson, E. L.↗

Ionization cones and radio ejecta in active galaxies

We report radio mapping at three frequencies of the Seyfert 2 galaxy NGC 5252, which is known to exhibit a spectacular pair of 'ionization cones' in optical emission-line images. The radio structure of the galaxy comprises an unresolved (less than 50 pc) source coincident with the optical nucleus, weak, narrow features extending approximately equal to 900 pc to north and south from the nucleus, and an unresolved radio source some 10 kpc from the nucleus. The inner parts of the extended radio structure and the off-nuclear source align well with the axis of the ionization cones. There are currently 11 Seyfert galaxies known to possess an ionization cone or a bi-cone; 8 of these galaxies also contain a linear (double, triple, or jet-like) nuclear radio structure. For this limited, incomplete sample, there is a tight alignment between cone and radi axes: the formal mean difference between the measured projections of these axes on the sky is only 6 deg, and the alignment may well be better than this at the location(s) closer to the nucleus where the collimation occurs. Although the degree of collimation is much worse for the ionizing photons than for the radio plasma, it is clear that they are collimated by the same, or coplanar, nulcear disks or tori. In particular, if the ionization cones result from absorption by dusty tori on the pc scale and the radio ejecta from accretion disks around the central black hole, the absence of differential precession indicates that either the gravitating mass distribution is close to spherical or the dusty torus has settled into a preferred plane. The cones currently known in late-type (but not early-type) spirals show a trend to align with the axis of the galaxy stellar disk. We argue that this alignment is either an observational selection effect or indicates that the gas accreted to power the nuclear activity has an internal origin in late-type spirals, but may have an external origin (e.g., a galaxy merger) in early-types. .

Wilson, A. S.↗

An Empirical State Error Covariance Matrix Orbit Determination Example

State estimation techniques serve effectively to provide mean state estimates. However, the state error covariance matrices provided as part of these techniques suffer from some degree of lack of confidence in their ability to adequately describe the uncertainty in the estimated states. A specific problem with the traditional form of state error covariance matrices is that they represent only a mapping of the assumed observation error characteristics into the state space. Any errors that arise from other sources (environment modeling, precision, etc.) are not directly represented in a traditional, theoretical state error covariance matrix. First, consider that an actual observation contains only measurement error and that an estimated observation contains all other errors, known and unknown. Then it follows that a measurement residual (the difference between expected and observed measurements) contains all errors for that measurement. Therefore, a direct and appropriate inclusion of the actual measurement residuals in the state error covariance matrix of the estimate will result in an empirical state error covariance matrix. This empirical state error covariance matrix will fully include all of the errors in the state estimate. The empirical error covariance matrix is determined from a literal reinterpretation of the equations involved in the weighted least squares estimation algorithm. It is a formally correct, empirical state error covariance matrix obtained through use of the average form of the weighted measurement residual variance performance index rather than the usual total weighted residual form. Based on its formulation, this matrix will contain the total uncertainty in the state estimate, regardless as to the source of the uncertainty and whether the source is anticipated or not. It is expected that the empirical error covariance matrix will give a better, statistical representation of the state error in poorly modeled systems or when sensor performance is suspect. In its most straight forward form, the technique only requires supplemental calculations to be added to existing batch estimation algorithms. In the current problem being studied a truth model making use of gravity with spherical, J2 and J4 terms plus a standard exponential type atmosphere with simple diurnal and random walk components is used. The ability of the empirical state error covariance matrix to account for errors is investigated under four scenarios during orbit estimation. These scenarios are: exact modeling under known measurement errors, exact modeling under corrupted measurement errors, inexact modeling under known measurement errors, and inexact modeling under corrupted measurement errors. For this problem a simple analog of a distributed space surveillance network is used. The sensors in this network make only range measurements and with simple normally distributed measurement errors. The sensors are assumed to have full horizon to horizon viewing at any azimuth. For definiteness, an orbit at the approximate altitude and inclination of the International Space Station is used for the study. The comparison analyses of the data involve only total vectors. No investigation of specific orbital elements is undertaken. The total vector analyses will look at the chisquare values of the error in the difference between the estimated state and the true modeled state using both the empirical and theoretical error covariance matrices for each of scenario.

Frisbee, Joseph H., Jr.↗

A 70th Degree Lunar Gravity Model (GLGM-2) from Clementine and other tracking data

A spherical harmonic model of the lunar gravity field complete to degree and order 70 has been developed from S band Doppler tracking data from the Clementine mission, as well as historical tracking data from Lunar Orbiters 1-5 and the Apollo 15 and 16 subsatellites. The model combines 361,000 Doppler observations from Clementine with 347,000 historical observations. The historical data consist of mostly 60-s Doppler with a noise of 0.25 to several mm/s. The Clementine data consist of mostly 10-s Doppler data, with a data noise of 0.25 mm/s for the observations from the Deep Space Network, and 2.5 mm/s for the data from a naval tracking station at Pomonkey, Maryland. Observations provided Clementine, provide the strongest satellite constraint on the Moon's low-degree field. In contrast the historical data, collected by spacecraft that had lower periapsis altitudes, provide distributed regions of high-resolution coverage within +/- 29 deg of the nearside lunar equator. To obtain the solution for a high-degree field in the absence of a uniform distribution of observations, we applied an a priori power law constraint of the form 15 x 10(exp -5)/sq l which had the effect of limiting the gravitational power and noise at short wavelengths. Coefficients through degree and order 18 are not significantly affected by the constraint, and so the model permits geophysical analysis of effects of the major basins at degrees 10-12. The GLGM-2 model confirms major features of the lunar gravity field shown in previous gravitational field models but also reveals significantly more detail, particularly at intermediate wavelengths (10(exp 3) km). Free-air gravity anomaly maps derived from the new model show the nearside and farside highlands to be gravitationally smooth, reflecting a state of isostatic compensation. Mascon basins (including Imbrium, Serenitatis, Crisium, Smythii, and Humorum) are denoted by gravity highs first recognized from Lunar Orbiter tracking. All of the major mascons are bounded by annuli of negative anomalies representing significant subsurface mass deficiencies. Mare Orientale appears as a minor mascon surrounded by a horseshoe-shaped gravity low centered on the Inner and Outer Rook rings that is evidence of significant subsurface structural heterogeneity. Although direct tracking is not available over a significant part of the lunar farside, GLGM-2 resolves negative anomalies that correlate with many farside basins, including South Pole-Aitken, Hertzsprung, Korolev, Moscoviense, Tsiolkovsky, and Freundlich-Sharonov.

Lemonie, Frank G. R.↗

Topography of the Moon from the Clementine Lidar

Range measurements from the lidar instrument carried aboard the Clementine spacecraft have been used to produce an accurate global topographic model of the Moon. This paper discusses the function of the lidar; the acquisition, processing, and filtering of observations to produce a global topographic model; and the determination of parameters that define the fundamental shape of the Moon. Our topographic model: a 72nd degree and order spherical harmonic expansion of lunar radii, is designated Goddard Lunar Topography Model 2 (GLTM 2). This topographic field has an absolute vertical accuracy of approximately 100 m and a spatial resolution of 2.5 deg. The field shows that the Moon can be described as a sphere with maximum positive and negative deviations of approx. 8 km, both occurring on the farside, in the areas of the Korolev and South Pole-Aitken (S.P.-Aitken) basins. The amplitude spectrum of the topography shows more power at longer wavelengths as compared to previous models, owing to more complete sampling of the surface, particularly the farside. A comparison of elevations derived from the Clementine lidar to control point elevations from the Apollo laser altimeters indicates that measured relative topographic heights generally agree to within approx. 200 in over the maria. While the major axis of the lunar gravity field is aligned in the Earth-Moon direction, the major axis of topography is displaced from this line by approximately 10 deg to the cast and intersects the farside 24 deg north of the equator. The magnitude of impact basin topography is greater than the lunar flattening (approx. 2 km) and equatorial ellipticity (approx. 800 m), which imposes a significant challenge to interpreting the lunar figure. The floors of mare basins are shown to lie close to an equipotential surface, while the floors of unflooded large basins, except for S.P.-Aitken, lie above this equipotential. The radii of basin floors are thus consistent with a hydrostatic mechanism for the absence of significant farside maria except for S.P.-Aitken, whose depth and lack of mare require significant internal compositional and/or thermal heterogeneity. A macroscale surface roughness map shows that roughness at length scales of 10(exp 1) - 10(exp 2) km correlates with elevation and surface age.

Smith, David E.↗

Pauling’s rules for oxide-based minerals: A re-examination based on quantum mechanical constraints and modern applications of bond-valence theory to Earth materials

Since their introduction in 1929, Pauling’s five rules have been used by scientists from many disciplines to rationalize and predict stable arrangements of atoms and coordination polyhedra in crystalline solids; amorphous materials such as silicate glasses and melts; nanomaterials, poorly crystalline solids; aqueous cation and anion complexes; and sorption complexes at mineral-aqueous solution interfaces. The predictive power of these simple yet powerful rules was challenged recently by George et al. (2020), who performed a statistical analysis of the performance of Pauling’s five rules for about 5000 oxide crystal structures. They concluded that only 13% of the oxides satisfy the last four rules simultaneously and that the second rule has the most exceptions. They also found that Pauling’s first rule is satisfied for only 66% of the coordination environments tested and concluded that no simple rule linking ionic radius to coordination environment will be predictive due to the variable quality of univalent radii. We address these concerns and discuss quantum mechanical calculations that complement Pauling’s rules, particularly his first (radius sum and radius ratio rule) and second (electrostatic valence rule) rules. We also present a more realistic view of the bonded radii of atoms, derived by determining the local minimum in the electron density distribution measured along trajectories between bonded atoms known as bond paths, i.e., the bond critical point (rc). Electron density at the bond critical point is a quantum mechanical observable that correlates well with Pauling bond strength. Moreover, a metal atom in a polyhedron has as many bonded radii as it has bonded interactions, resulting in metal and O atoms that may not be spherical. O atoms, for example, are not spherical in many oxide-based crystal structures. Instead, the electron density of a bonded oxygen is often highly distorted or polarized, with its bonded radius decreasing systematically from ~1.38 Å when bonded to highly electropositive atoms like sodium to 0.64 Å when bonded to highly electronegative atoms like nitrogen. Bonded radii determined for metal atoms match the Shannon (1976) radii for more electropositive atoms, but the match decreases systematically as the electronegativities of the M atoms increase. As a result, significant departures from the radius ratio rule in the analysis by George et al. (2020) is not surprising. We offer a modified, more fundamental version of Pauling’s first rule and demonstrate that the second rule has a one-to-one connection between the electron density accumulated between the bonded atoms at the bond critical point and the Pauling bond strength of the bonded interaction. Pauling’s second rule implicitly assumes that bond strength is invariant with bond length for a given pair of bonded atoms. Many studies have since shown that this is not the case, and Brown and Shannon (1973) developed an equation and a set of parameters to describe the relation between bond length and bond strength, now redefined as bond valence to avoid confusion with Pauling bond-strength. Brown (1980) used the valence-sum rule, together with the path rule and the valence-matching principle, as the three axioms of bond-valence theory (BVT), a powerful method for understanding many otherwise elusive aspects of crystals and also their participation in dynamic processes. We show how a priori bond-valence calculations can predict unstrained bond-lengths and how bond-valence mapping can locate low-Z atoms in a crystal structure (e.g., Li) or examine possible diffusion pathways for atoms through crystal structures. In addition, we briefly discuss Pauling’s third, fourth, and fifth rules, the first two of which concern the sharing of polyhedron elements (edges and faces) and the common instability associated with structures in which a polyhedron shares an edge or face with another polyhedron and contains high-valence cations. The olivine [α-(MgxFe1–x)2SiO4] crystal structure is used to illustrate the distortions from hexagonal close-packing of O atoms caused by metal-metal repulsion across shared polyhedron edges. We conclude by discussing several applications of BVT to Earth materials, including the use of BVT to: (1) locate H+ ions in crystal structures, including the location of protons in the crystal structures of nominally anhydrous minerals in Earth’s mantle; (2) determine how strongly bonded (usually anionic) structural units interact with weakly bonded (usually cationic) interstitial complexes in complex uranyl-oxide and uranyl-oxysalt minerals using the valence-matching principle; (3) calculate Lewis acid strengths of cations and Lewis base strengths of anions; (4) determine how (H2O) groups can function as bond-valence transformers by dividing one bond into two bonds of half the bond valence; (5) help characterize products of sorption reactions of aqueous cations (e.g., Co2+ and Pb2+) and oxyanions [e.g., selenate (Se6+O4)2- and selenite (Se4+O3)2-] at mineral-aqueous solution interfaces and the important role of protons in these reactions; and (6) help characterize the local coordination environments of highly charged cations (e.g., Zr4+, Ti4+, U4+, U5+, and U6+) in silicate glasses and melts.

Geochemistry & Geophysics↗

MCNP Simulations of Measurement of Insulation Compaction in the Cryogenic Rocket Fuel Tanks at Kennedy Space Center by Fast/Thermal Neutron Techniques

MCNP simulations have been run to evaluate the feasibility of using a combination of fast and thermal neutrons as a nondestructive method to measure of the compaction of the perlite insulation in the liquid hydrogen and oxygen cryogenic storage tanks at John F. Kennedy Space Center (KSC). Perlite is a feldspathic volcanic rock made up of the major elements Si, AI, Na, K and 0 along with some water. When heated it expands from four to twenty times its original volume which makes it very useful for thermal insulation. The cryogenic tanks at Kennedy Space Center are spherical with outer diameters of 69-70 feet and lined with a layer of expanded perlite with thicknesses on the order of 120 cm. There is evidence that some of the perlite has compacted over time since the tanks were built 1965, affecting the thermal properties and possibly also the structural integrity of the tanks. With commercially available portable neutron generators it is possible to produce simultaneously fluxes of neutrons in two energy ranges: fast (14 Me V) and thermal (25 me V). The two energy ranges produce complementary information. Fast neutrons produce gamma rays by inelastic scattering, which is sensitive to Fe and O. Thermal neutrons produce gamma rays by prompt gamma neutron activation (PGNA) and this is sensitive to Si, Al, Na, K and H. The compaction of the perlite can be measured by the change in gamma ray signal strength which is proportional to the atomic number densities of the constituent elements. The MCNP simulations were made to determine the magnitude of this change. The tank wall was approximated by a I-dimensional slab geometry with an 11/16" outer carbon steel wall, an inner stainless wall and 120 cm thick perlite zone. Runs were made for cases with expanded perlite, compacted perlite or with various void fractions. Runs were also made to simulate the effect of adding a moderator. Tallies were made for decay-time analysis from t=0 to 10 ms; total detected gamma-rays; detected gamma-rays from thermal neutron reactions d. detected gamma-rays from non-thermal neutron reactions and total detected gamma-rays as a function of depth into the annulus volume. These indicated a number of possible independent metrics of perlite compaction. For example the count rate for perlite elements increased from 3600 to 8500 cps for an increase in perlite density from 6 lbs/lcf to 16.5 lbs/cf. Thus the MCNP simulations have confirmed the feasibility of using neutron methods to map the compaction of perlite in the walls of the cryogenic tanks.

Livingston, R. A.↗