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DOE OSTI2021

On the mechanism of ionization oscillations in Hall thrusters

Low-frequency ionization oscillations involving plasma and neutral density (breathing modes) are the most violent perturbations in Hall thrusters for electric propulsion. Because of its simplicity, the zero-dimensional (0D) predator–prey model of two nonlinearly coupled ordinary differential equations for plasma and neutral density has often been used for the characterization of such oscillations and scaling estimates. In this work, we investigate the properties of its continuum analog, the one-dimensional (1D) system of two nonlinearly coupled equations in partial derivatives (PDEs) for plasma and neutral density. This is a more general model, of which the standard 0D predator–prey model is a special limit case. We show that the 1D model is stable and does not show any oscillations for the boundary conditions relevant to Hall thrusters and the uniform ion velocity. We then propose a reduced 1D model based on two coupled PDEs for plasma and neutral densities that is unstable and exhibit oscillations if the ion velocity profile with the near-the-anode back-flow (toward the anode) region is used. Comparisons of the reduced model with the predictions of the full model that takes into account the self-consistent plasma response show that the main properties of the breathing mode are well captured. In particular, it is shown that the frequency of the breathing mode oscillations is weakly dependent on the final ion velocity but shows a strong correlation with the width of the ion back-flow region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2013

Video Altimeter and Obstruction Detector for an Aircraft

Video-based altimetric and obstruction detection systems for aircraft have been partially developed. The hardware of a system of this type includes a downward-looking video camera, a video digitizer, a Global Positioning System receiver or other means of measuring the aircraft velocity relative to the ground, a gyroscope based or other attitude-determination subsystem, and a computer running altimetric and/or obstruction-detection software. From the digitized video data, the altimetric software computes the pixel velocity in an appropriate part of the video image and the corresponding angular relative motion of the ground within the field of view of the camera. Then by use of trigonometric relationships among the aircraft velocity, the attitude of the camera, the angular relative motion, and the altitude, the software computes the altitude. The obstruction-detection software performs somewhat similar calculations as part of a larger task in which it uses the pixel velocity data from the entire video image to compute a depth map, which can be correlated with a terrain map, showing locations of potential obstructions. The depth map can be used as real-time hazard display and/or to update an obstruction database.

Delgado, Frank J.↗

DOE OSTI2020

A direct numerical simulation of Jet A flame kernel quenching

The safe operation of aeronautical engines requires an understanding of flame ignition, propagation and extinction. In this study, direct numerical simulations are performed using a 29 species reduced chemical mechanism for jet fuel surrogate Jet A to understand the flame quenching process. Here, initially laminar spherical flames of varying sizes and equivalence ratios are subject to an identical periodic domain of decaying and isotropic high intensity turbulence with a turbulent Reynolds number of 2400. All cases become quenched, except for the larger kernel with lower Karlovitz number. An analysis of the flame structure shows broadened preheat zone, flame shortening on the product side, differential species diffusion and partial fuel pyrolysis in the fresh mixture. Two extinction mechanisms are identified arising from flame shortening and high flame stretch. Flame shortening occurs due to turbulence-chemistry interactions that resemble the flame–flame interaction in a laminar counterflow reactant-to-reactant configuration, which contorts and breaks up the ignition kernel. Flame stretch is a local effect that attenuates the heat release rate and causes the flame to retreat towards the product mixtures, similar to what has been observed for reactant-to-product laminar counterflow flames. Chemical explosive mode analysis was also performed to quantify the flame structure and local combustion mode. The diffusion–reaction balance in pinched-off flame islands favors extinction of these smaller structures, while auto-ignition modes are observed within the flame kernel after fresh mixture is engulfed and preheated in the product kernel. Statistics of the density-weighted displacement speed conditional on local combustion mode indicates strong correlation between the local extinction mode and negative displacement speed. The local balance between diffusion and reaction ultimately determines the propensity for local extinction in both laminar and turbulent flames, the extent of which has an impact on global flame propagation.

42 ENGINEERING↗

DOE OSTI2021

Partial connectomes of labeled dopaminergic circuits reveal non-synaptic communication and axonal remodeling after exposure to cocaine

Dopaminergic (DA) neurons exert profound influences on behavior including addiction. However, how DA axons communicate with target neurons and how those communications change with drug exposure remains poorly understood. We leverage cell type-specific labeling with large volume serial electron microscopy to detail DA connections in the nucleus accumbens (NAc) of the mouse (Mus musculus) before and after exposure to cocaine. We find that individual DA axons contain different varicosity types based on their vesicle contents. Spatially ordering along individual axons further suggests that varicosity types are non-randomly organized. DA axon varicosities rarely make specific synapses (<2%, 6/410), but instead are more likely to form spinule-like structures (15%, 61/410) with neighboring neurons. Days after a brief exposure to cocaine, DA axons were extensively branched relative to controls, formed blind-ended ‘bulbs’ filled with mitochondria, and were surrounded by elaborated glia. Finally, mitochondrial lengths increased by ~2.2 times relative to control only in DA axons and NAc spiny dendrites after cocaine exposure. We conclude that DA axonal transmission is unlikely to be mediated via classical synapses in the NAc and that the major locus of anatomical plasticity of DA circuits after exposure to cocaine are large-scale axonal re-arrangements with correlated changes in mitochondria.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Two drop tests of partial Hawker 4000 fuselage sections were conducted at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) to characterize the response of representative composite aerospace structure to dynamic impact loads. Test conditions were selected to induce damage into the composite structure in order to study material failure within a composite fuselage and evaluate the capability of finite element (FE) model analysis to predict that failure. The tests were simulated using FE models which were generated to isolate the effect of developmental data availability on predictive capability. FE Models of the tested fuselage sections were generated using two limited data sets. The first model configuration was reverse engineered from the test article with no information related to design or fabrication details which would be known only by the manufacturer. The second model was generated from data provided by the manufacturer but without additional material characterization test data. Models were developed using these methodologies for both fuselage sections tested. Correlation of each model to the tests conducted was evaluated in terms of damage, deformation, and cabin acceleration measurements. Correlation between the developed models and the tested fuselage sections showed that the reverse engineered model predicted the composite damage and cabin acceleration measured during test though it was limited due to lack of detail in the composite layup changes through the structure. The model developed using manufacturer specifications did not predict damage, due to limited material and component model characterization data, but it did predict acceleration on par with the reverse engineered model. Model capability and limitation sources identified were verified through correlation of a final model which was developed by combining the individual data sets. The combined model demonstrated that the addition of calibrated composite material models to accurate composite layup definitions and detailed geometry led to improved correlation of damage and acceleration response within the composite fuselage structures.

Crashworthiness↗

NASA NTRSDate not supplied

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Crashworthiness↗

NASA NTRS2001

Water Vapor Tracers as Diagnostics of the Regional Hydrologic Cycle

Numerous studies suggest that local feedback of surface evaporation on precipitation, or recycling, is a significant source of water for precipitation. Quantitative results on the exact amount of recycling have been difficult to obtain in view of the inherent limitations of diagnostic recycling calculations. The current study describes a calculation of the amount of local and remote geographic sources of surface evaporation for precipitation, based on the implementation of three-dimensional constituent tracers of regional water vapor sources (termed water vapor tracers, WVT) in a general circulation model. The major limitation on the accuracy of the recycling estimates is the veracity of the numerically simulated hydrological cycle, though we note that this approach can also be implemented within the context of a data assimilation system. In the WVT approach, each tracer is associated with an evaporative source region for a prognostic three-dimensional variable that represents a partial amount of the total atmospheric water vapor. The physical processes that act on a WVT are determined in proportion to those that act on the model's prognostic water vapor. In this way, the local and remote sources of water for precipitation can be predicted within the model simulation, and can be validated against the model's prognostic water vapor. As a demonstration of the method, the regional hydrologic cycles for North America and India are evaluated for six summers (June, July and August) of model simulation. More than 50% of the precipitation in the Midwestern United States came from continental regional sources, and the local source was the largest of the regional tracers (14%). The Gulf of Mexico and Atlantic regions contributed 18% of the water for Midwestern precipitation, but further analysis suggests that the greater region of the Tropical Atlantic Ocean may also contribute significantly. In most North American continental regions, the local source of precipitation is correlated with total precipitation. There is a general positive correlation between local evaporation and local precipitation, but it can be weaker because large evaporation can occur when precipitation is inhibited. In India, the local source of precipitation is a small percentage of the precipitation owing to the dominance of the atmospheric transport of oceanic water. The southern Indian Ocean provides a key source of water for both the Indian continent and the Sahelian region.

Bosilovich, Michael G.↗

DOE OSTI2025

Moiré-driven topological electronic crystals in twisted graphene

In a dilute two-dimensional electron gas, Coulomb interactions can stabilize the formation of a Wigner crystal. Although Wigner crystals are topologically trivial, it has been predicted that electrons in a partially filled band can break continuous translational symmetry and time-reversal symmetry spontaneously, resulting in a type of topological electron crystal known as an anomalous Hall crystal. Here we report signatures of a generalized version of the anomalous Hall crystal in twisted bilayer–trilayer graphene, whose formation is driven by the moiré potential. The crystal forms at a band filling of one electron per four moiré unit cells (ν = 1/4) and quadruples the unit-cell area, coinciding with an integer quantum anomalous Hall effect. The Chern number of the state is exceptionally tunable, and it can be switched reversibly between +1 and −1 by electric and magnetic fields. Several other topological electronic crystals arise in a modest magnetic field, originating from ν = 1/3, 1/2, 2/3 and 3/2. As a result, the quantum geometry of the interaction-modified bands is likely to be very different from that of the original parent band, which enables possible future discoveries of correlation-driven topological phenomena.

Electronic properties and materials↗

DOE OSTI2025

Restructuring of Benzimidazole-Based Copper Complexes during Electrochemical CO 2 Reduction

Copper-based molecular catalysts have been widely used for the electrochemical reduction of carbon dioxide (ERCO 2 ). However, establishing a correlation between structure and catalytic performance has been challenging due to the dynamic nature of these materials under ERCO 2 working conditions. Here, we report on the restructuring of the copper complexes [Cu(bzimpy)Cl 2 ] and [Cu(pyrben) 2 (NO 3 )]NO 3 during ERCO 2 in an acidic medium, evidencing its effects on the observed activity, selectivity, and stability. In situ X-ray absorption spectroscopy (XAS) suggested that, at sufficiently negative potentials, the Cu 2+ centers of both complexes are reduced to undercoordinated Cu 0 species. Pb underpotential deposition of post-ERCO 2 samples indicated that such Cu 0 species also present a dominant contribution of the (100) domain, which is in line with the high Faradaic efficiency toward C 2 products (∼45%) shown by both complexes at −1.24 V vs RHE. By combining online electrochemical mass spectrometry, in situ XAS, electron paramagnetic resonance (EPR), and quantitative product analysis, we found that [Cu(bzimpy)Cl 2 ] exhibits a partially reversible restructuring, regenerating the main complex moiety, [Cu(bzimpy)] 2+ , and its geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Extended quantum anomalous Hall states in graphene/hBN moiré superlattices

Electrons in topological flat bands can form new topological states driven by correlation effects. The pentalayer rhombohedral graphene/hexagonal boron nitride (hBN) moiré superlattice was shown to host fractional quantum anomalous Hall effect (FQAHE) at approximately 400 mK, triggering discussions around the underlying mechanism and role of moiré effects. In particular, new electron crystal states with non-trivial topology have been proposed. Here, in this paper, we report electrical transport measurements in rhombohedral pentalayer and tetralayer graphene/hBN moiré superlattices at electronic temperatures down to below 40 mK. We observed two more fractional quantum anomalous Hall (FQAH) states and smaller R xx values in pentalayer devices than those previously reported. In the new tetralayer device, we observed FQAHE at moiré filling factors v = 3/5 and 2/3. With a small current at the base temperature, we observed a new extended quantum anomalous Hall (EQAH) state and magnetic hysteresis, where R xy = h/e 2 and vanishing R xx spans a wide range of v from 0.5 to 1.3. At increased temperature or current, EQAH states disappear and partially transition into the FQAH liquid. Furthermore, we observed displacement field-induced quantum phase transitions from the EQAH states to the Fermi liquid, FQAH liquid and the likely composite Fermi liquid. Our observations established a new topological phase of electrons with quantized Hall resistance at zero magnetic field and enriched the emergent quantum phenomena in materials with topological flat bands.

36 MATERIALS SCIENCE↗

NASA NTRS1992

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

DOE OSTI2018

Cold Spray NDE for Porosity and Other Process Anomalies

This paper describes a technology review of non-destructive examination (NDE) methods that can be applied to cold spray coatings. Cold spray is a process for depositing metal powder at high velocity so that it bonds to the substrate metal without significant heating that would be likely to cause additional residual tensile stresses. Coatings in the range from millimeters to centimeters are possible at relatively high deposition rates. Cold spray coatings that may be used for hydroelectric components that are subject to erosion, corrosion, wear, and cavitation damage are of interest. The topic of cold spray NDE is treated generally however and may be considered applicable to virtually any cold spray application except where there are constraints of the hydroelectric component application that bear special consideration. Hydroelectric turbine components are primarily made from low carbon and austenitic stainless steels. They are typically very large components that are partially assembled on-site. Transport of these components within the hydroelectric facility and away from the hydroelectric facility is challenging due to the component’s size and weight, high cost of disassembly, and the confined space of the dam. One method for prolonging component life is application of cold spray and thermal powder metal coatings to the components most susceptible to erosion, corrosion, cracking, and mechanical wear. Process controls and visual inspections have historically been applied to cold spray application; however, quantitative NDE could detect anomalies not readily apparent from such a visual examination. Optical profilometry, Eddy current, ultrasound, and hardness tests are shown for one set of good, fair, and poor Nickle-Chrome (NiCr) on 304 stainless steel (304SS) cold spray samples to demonstrate inspection possibilities. The primary indicator of cold spray quality is the cold spray porosity that is most directly measured with witness-sample destructive examinations (DE) – mostly photo-micrographs. These DE generated porosity values are correlated with optical profilometry, eddy current, ultrasound, and hardness test NDE methods to infer the porosity and other Information of interest. These parameters of interest primarily include: • Porosity primarily caused by improper process conditions (temperature, gas velocity, spray standoff, spray angle, powder size, condition, surface cleanliness, surface oxide, etc.). • Presence/absence of the cold spray coating including possible over-sprayed voids • Coating thickness Optical profilometry measurements of surface roughness trended with porosity plus if compared with a reference measurement or reference drawing would provide information on the coating thickness. Ultrasound could provide similar surface profile information plus attenuation measurements trended with porosity. The ultrasound measurements however may be limited to geometries where the substrate back-wall is normal to the cold spray surface and not too thick. Eddy current showed a strong correlation with porosity. Eddy currents can also be sensitive to cracks and do not need fluid coupling to make measurements. Eddy currents however are not sensitive to coating thicknesses in most cases. Vickers hardness measurements also tracked well with porosity. These types of hardness measurements however are also not sensitive to coating thickness. An NDE program may include multiple measurements. Acknowledgement: This work is sponsored by Bonneville Power Administration (BPA) under their technology innovation project program. Such support does not constitute BPA endorsement of views expressed in this work.

Glass, Samuel W.↗

DOE OSTI2020

Learning and meta-learning of stochastic advection–diffusion–reaction systems from sparse measurements

Physics-informed neural networks (PINNs) were recently proposed in [18] as an alternative way to solve partial differential equations (PDEs). A neural network (NN) represents the solution, while a PDE-induced NN is coupled to the solution NN, and all differential operators are treated using automatic differentiation. Here, we first employ the standard PINN and a stochastic version, sPINN, to solve forward and inverse problems governed by a non-linear advection–diffusion–reaction (ADR) equation, assuming we have some sparse measurements of the concentration field at random or pre-selected locations. Subsequently, we attempt to optimise the hyper-parameters of sPINN by using the Bayesian optimisation method (meta-learning) and compare the results with the empirically selected hyper-parameters of sPINN. In particular, for the first part in solving the inverse deterministic ADR, we assume that we only have a few high-fidelity measurements, whereas the rest of the data is of lower fidelity. Hence, the PINN is trained using a composite multi-fidelity network, first introduced in [12], that learns the correlations between the multi-fidelity data and predicts the unknown values of diffusivity, transport velocity and two reaction constants as well as the concentration field. For the stochastic ADR, we employ a Karhunen–Loève (KL) expansion to represent the stochastic diffusivity, and arbitrary polynomial chaos (aPC) to represent the stochastic solution. Correspondingly, we design multiple NNs to represent the mean of the solution and learn each aPC mode separately, whereas we employ a separate NN to represent the mean of diffusivity and another NN to learn all modes of the KL expansion. For the inverse problem, in addition to stochastic diffusivity and concentration fields, we also aim to obtain the (unknown) deterministic values of transport velocity and reaction constants. The available data correspond to 7spatial points for the diffusivity and 20 space–time points for the solution, both sampled 2000 times. We obtain good accuracy for the deterministic parameters of the order of 1–2% and excellent accuracy for the mean and variance of the stochastic fields, better than three digits of accuracy. In the second part, we consider the previous stochastic inverse problem, and we use Bayesian optimisation to find five hyper-parameters of sPINN, namely the width, depth and learning rate of two NNs for learning the modes. Here, we obtain much deeper and wider optimal NNs compared to the manual tuning, leading to even better accuracy, i.e., errors less than 1% for the deterministic values, and about an order of magnitude less for the stochastic fields.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

First observations of mesospheric dynamics with a partial reflection radar in Hawaii (22 deg N, 160 deg W)

A partial-reflection MF radar was installed at the Pacific Missile Range Facility on Kanai, Hawaii in September 1990. The wind measurements obtained with this radar system in Hawaii during the first year of operation are reviewed. The data reveal a broad spectrum of motions ranging from a mix of the equatorial mesopause semiannual oscillation (MSAO) and the annual mean cycle at middle and high latitudes in the zonal mean structure to low-frequency, tidal, and gravity wave motions at higher frequencies. The zonal mean wind structure is characterized by a downward progression of strong eastward and westward phases of the MSAO from approximately January to July. An eastward maximum of about 60/ms near 80 km during January and February is found, which descends rapidly, and a westward maximum of about 50 ms near 85 km during March and April is found, which descends much more slowly. The second MSAO cycle is greatly suppressed relative to the first due to the reversal of the correlation between this and the annual cycle at higher latitudes from July to December.

Fritts, David C.↗

NASA NTRS1994

Photosynthetic fractionation of 13C and concentrations of dissolved CO2 in the central equatorial Pacific during the last 255,000 years

Carbon isotopically based estimates of CO2 levels have been generated from a record of the photosynthetic fractionation of 13C [is equivalent to epsilon(p)] in a central equatorial Pacific sediment core that spans the last approximately 255 ka. Contents of 13C in phytoplanktonic biomass were determined by analysis of C37 alkadienones. These compounds are exclusive products of Prymnesiophyte algae which at present grow most abundantly at depths of 70-90 m in the central equatorial Pacific. A record of the isotopic composition of dissolved CO2 was constructed from isotopic analyses of the planktonic foraminifera Neogloboquadrina dutertrei, which calcifies at 70-90 m in the same region. Values of epsilon(p), derived by comparison of the organic and inorganic delta values, were transformed to yield concentrations of dissolved CO2 [is equivalent to c(e)] based on a new, site-specific calibration of the relationship between epsilon(p) and c(e). The calibration was based on reassessment of existing epsilon(p) versus c(e) data, which support a physiologically based model in which epsilon(p) is inversely related to c(e). Values of PCO2, the partial pressure of CO2 that would be in equilibrium with the estimated concentrations of dissolved CO2, were calculated using Henry's law and the temperature determined from the alkenone-unsaturation index U(K/37). Uncertainties in these values arise mainly from uncertainties about the appropriateness (particularly over time) of the site-specific relationship between epsilon(p) and 1/c(e). These are discussed in detail and it is concluded that the observed record of epsilon(p) most probably reflects significant variations in delta pCO2, the ocean-atmosphere disequilibrium, which appears to have ranged from approximately 110 microatmospheres during glacial intervals (ocean > atmosphere) to approximately 60 microatmospheres during interglacials. Fluxes of CO2 to the atmosphere would thus have been significantly larger during glacial intervals. If this were characteristic of large areas of the equatorial Pacific, then greater glacial sinks for the equatorially evaded CO2 must have existed elsewhere. Statistical analysis of air-sea pCO2 differences and other parameters revealed significant (p<0.01) inverse correlations of delta pCO2 with sea surface temperature and with the mass accumulation rate of opal. The former suggests response to the strength of upwelling, the latter may indicate either drawdown of CO2 by siliceous phytoplankton or variation of [CO2]/[Si(OH)4] ratios in upwelling waters.

NASA Discipline Exobiology↗

NASA NTRS2013

Timescale of Petrogenetic Processes Recorded in the Mount Perkins Magma System, Northern Colorado River Extension Corridor, Arizona

The Miocene Mt. Perkins Pluton is a small composite intrusive body emplaced in the shallow crust as four separate phases during the earliest stages of crustal extension. Phase 1 (oldest) consists of isotropic hornblende gabbro and a layered cumulate sequence. Phase 2 consists of quartz monzonite to quartz monzodiorite hosting mafic microgranitoid enclaves. Phase 3 is composed of quartz monzonite and is subdivided into mafic enclave-rich zones and enclave-free zones. Phase 4 consists of aphanitic dikes of mafic, intermediate and felsic compositions hosting mafic enclaves. Phases 2-4 enclaves record significant isotopic disequilibrium with surrounding granitoid host rocks, but collectively enclaves and host rocks form a cogenetic suite exhibiting systematic variations in Nd-Sr-Pb isotopes that correlate with major and trace elements. Phases 2-4 record multiple episodes of magma mingling among cogenetic hybrid magmas that formed via magma mixing and fractional crystallization at a deeper crustal. The mafic end-member was alkali basalt similar to nearby 6-4 Ma basalt with enriched OIB-like trace elements and Nd-Sr-Pb isotopes. The felsic end-member was a subalkaline crustal-derived magma. Phase 1 isotropic gabbro exhibits elemental and isotopic compositional variations at relatively constant SiO2, suggesting generation of isotropic gabbro by an open-system process involving two mafic end-members. One end-member is similar in composition to the OIB-like mafic end-member for phases 2-4; the second is similar to nearby 11-8 Ma tholeiite basalt exhibiting low epsilon (sub Nd), and depleted incompatible trace elements. Phase 1 cumulates record in situ fractional crystallization of an OIB-like mafic magma with isotopic evidence of crustal contamination by partial melts generated in adjacent Proterozoic gneiss. The Mt Perkins pluton records a complex history in a lithospheric scale magma system involving two distinct mantle-derived mafic magmas and felsic magma sourced in the crust. Mixing and fractional crystallization of these magmas at various levels in the crust generated a suite of intermediate composition magmas. U-Pb zircon SHRIMP ages of phase 1 (15.7 +/- 0.2 Ma), phase 3 (15.8 +/- 0.2 Ma) and phase 4 (15.4 +/- 0.3 Ma) document a 100-300k year timescale for petrogenetic processes recorded in the Mt Perkins magma system.

Danielson, Lisa R.↗

NASA NTRS2014

Transitional Disks Associated with Intermediate-Mass Stars: Results of the SEEDS YSO Survey

Protoplanetary disks are where planets form, grow, and migrate to produce the diversity of exoplanet systems we observe in mature systems. Disks where this process has advanced to the stage of gap opening, and in some cases central cavity formation, have been termed pre-transitional and transitional disks in the hope that they represent intermediate steps toward planetary system formation. Recent reviews have focussed on disks where the star is of solar or sub-solar mass. In contrast to the sub-millimeter where cleared central cavities predominate, at H-band some T Tauri star transitional disks resemble primordial disks in having no indication of clearing, some show a break in the radial surface brightness profile at the inner edge of the outer disk, while others have partially to fully cleared gaps or central cavities. Recently, the Meeus Group I Herbig stars, intermediate-mass PMS stars with IR spectral energy distributions often interpreted as flared disks, have been proposed to have transitional and pre-transitional disks similar to those associated with solar-mass PMS stars, based on thermal-IR imaging, and sub-millimeter interferometry. We have investigated their appearance in scattered light as part of the Strategic Exploration of Exoplanets and Disks with Subaru (SEEDS), obtaining H-band polarimetric imagery of 10 intermediate-mass stars with Meeus Group I disks. Augmented by other disks with imagery in the literature, the sample is now sufficiently large to explore how these disks are similar to and differ from T Tauri star disks. The disk morphologies seen in the Tauri disks are also found for the intermediate-mass star disks, but additional phenomena are found; a hallmark of these disks is remarkable individuality and diversity which does not simply correlate with disk mass or stellar properties, including age, including spiral arms in remnant envelopes, arms in the disk, asymmetrically and potentially variably shadowed outer disks, gaps, and one disk where only half of the disk is seen in scattered light at H. We will discuss our survey results in terms of spiral arm theory, dust trapping vortices, and systematic differences in the relative scale height of these disks compared to those around Solar-mass stars. For the disks with spiral arms we discuss the planet-hosting potential, and limits on where giant planets can be located. We also discuss the implications for imaging with extreme adaptive optics instruments. Grady is supported under NSF AST 1008440 and through the NASA Origins of Solar Systems program on NNG13PB64P. JPW is supported NSF AST 100314. 0) in marked contrast to protoplanetary disks, transitional disks exhibit wide range of structural features1) arm visibility correlated with relative scale height in disk2) asymmetric and possibly variable shadowing of outer portions some transitional disks3) confirm pre-transitional disk nature of Oph IRS 48, MWC 758, HD 169142, etc.

Protoplanetary disks↗

DOE OSTI2018

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

The self-interaction error (SIE) is one of the major drawbacks of practical exchange-correlation functionals for Kohn-Sham density functional theory. Despite this, the use of methods that explicitly remove SIE from approximate density functionals is scarce in the literature due to their relatively high computational cost and lack of consistent improvement over standard modern functionals. Here, we assess the performance of a novel approach recently proposed by Pederson, Ruzsinszky, and Perdew for performing self-interaction free calculations in density functional theory based on Fermi-orbitals. To this end, we employ test sets consisting of reaction energies that are considered particularly sensitive to SIE. We found that the parameter-free Fermi-Löwdin orbital self-interaction correction method combined with standard local spin density approximation (LSDA) and Perdew-Burke-Ernzerhof (PBE) functionals gives a much better estimate of reaction energies compared to their parent LSDA and PBE functionals for most of the reactions in these two sets. They also perform on par with the global PBE0 and range-separated LC-ωPBE hybrids, which partially eliminate the SIE by including Hartree-Fock exchange. This shows the potential of the Fermi-Löwdin orbital self-interaction corrected (FLOSIC) method for practical density functional calculations without SIE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗