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At least 1,567 records · Page 87

Cognitive factors associated with immersion in virtual environments

Immersion into the dataspace provided by a computer, and the feeling of really being there or 'presence', are commonly acknowledged as the uniquely important features of virtual reality environments. How immersed one feels appears to be determined by a complex set of physical components and affordances of the environment, and as yet poorly understood psychological processes. Pimentel and Teixeira say that the experience of being immersed in a computer-generated world involves the same mental shift of 'suspending your disbelief for a period of time' as 'when you get wrapped up in a good novel or become absorbed in playing a computer game'. That sounds as if it could be right, but it would be good to get some evidence for these important conclusions. It might be even better to try to connect these statements with theoretical positions that try to do justice to complex cognitive processes. The basic precondition for understanding Virtual Reality (VR) is understanding the spatial representation systems that localize our bodies or egocenters in space. The effort to understand these cognitive processes is being driven with new energy by the pragmatic demands of successful virtual reality environments, but the literature is largely sparse and anecdotal.

Psotka, Joseph↗

The Unusual X-Ray Collision Morphology of NGC 4782/4783 (3C 278)

Deep ROSAT HRI (High-Resolution Imager) imaging of the X-ray-emitting gas associated with the colliding elliptical galaxy pair NGC 4782/4783 reveals for the first time the complexity of the hot gas distribution in a pair of close interacting galaxies. The HRI image of NGC 4782/4783 shows hot gas around each galaxy, a high surface brightness X-ray bridge connecting the galaxy pair, tidal-like tails emerging from the two galaxies, and a sheet of gas at the interaction interface between the two galaxies. The hot gas distributions do not peak at the optical centers of the galaxies but are displaced in the same sense as the tidal distensions seen in the optical luminosity distributions. All of these remarkable features show the complexity of structure that develops in the hot gas distribution when both hydrodynamical and tidal forces come into play during collisions between ellipticals with hot gas components. Models by Borne and Colina of the bent two-sided radio jet 3C 278 (associated with NGC 4782) indicated that there must be a strong interaction between the hot gas components of NGC 4782,/4783 and that the deflection of the radio jets is likely caused by the ram pressure exerted on the jet plasma by the hot gas associated with the passing companion NGC 4783. These conclusions are qualitatively confirmed by the HRI image and substantiate the major role played by the hot interstellar medium, and its asymmetries, in the propagation and entrainment of radio jets in colliding radio host ellipticals.

Colina, Luis↗

Comparison of Ejection Events in the Jet and Accretion Disc Outflows in 3C 111

We present a comparison of the parameters of accretion disc outflows and the jet of the broad-line radio galaxy 3C 111 on sub-pc scales. We make use of published X-ray observations of ultra-fast outflows (UFOs) and new 43 GHz VLBA images to track the jet knots ejection. We find that the superluminal jet coexists with the mildly relativistic outflows on sub-pc scales, possibly indicating a transverse stratification of a global flow. The two are roughly in pressure equilibrium, with the UFOs potentially providing additional support for the initial jet collimation. The UFOs are much more massive than the jet, but their kinetic power is probably about an order of magnitude lower, at least for the observations considered here. However, their momentum flux is equivalent and both of them are powerful enough to exert a concurrent feedback impact on the surrounding environment. A link between these components is naturally predicted in the context of MHD models for jet/outflow formation. However, given the high radiation throughput of AGNs, radiation pressure should also be taken into account. From the comparison with the long-term 2-10 keV RXTE light curve we find that the UFOs are preferentially detected during periods of increasing flux. We also find the possibility to place the UFOs within the known X-ray dips-jet ejection cycles, which has been shown to be a strong proof of the disc-jet connection, in analogue with stellar-mass black holes. However, given the limited number of observations presently available, these relations are only tentative and additional spectral monitoring is needed to test them conclusively.

Tombesi, F.↗

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

The Runtime for Airspace Concept Evaluation (RACE) is an open-source software architecture and framework to build configurable, highly concurrent and distributed message-based systems that offer scalable, low-latency performance on commodity hardware. RACE was used in commercial aviation applications to rapidly build systems that span several machines (including synchronized displays), interface existing hardware simulators and other live data feeds, and incorporate sophisticated visualization components such as NASA WorldWind. These RACE applications validated elements of the FAA’s System Wide Information Management (SWIM) Program, handling up to 1000 messages/sec from diverse sources (SFDPS, TFM-DATA, TAIS, ASDE-X, ITWS and local ADS) for 4,500 simultaneous flights tracked in the next-generation air transportation system’s digital backbone. We have since generalized RACE to support Open Data Integration (ODIN) applications outside aviation. Systems built with RACE/ODIN can be deployed in the field, on commodity hardware, and operate with limited or intermittent connectivity to the outside world. Our primary use case is a web-server with local/persistent data storage that runs within and only serves the stakeholder network (e.g. an incident command post). We are tailoring the RACE/ODIN system to support wildland fire management for the upcoming NASA Wildland Fire Safety Demonstration Series. RACE-ODIN is under consideration for application in the Scalable Traffic Management for Emergency Response Operations project, or STEReO, which aims to create a system that can be deployed during emergencies, to coordinate multiple elements of disaster response. Such data sources predominantly come from existing services on the internet (e.g. weather and satellite data, imported from so called "edge servers") but can also include dynamic (real-time) data from computer simulations and within the stakeholder network (such as aircraft and personnel tracking information). We will present the architecture and ODIN system demonstration incorporating local data from instrumented power-line towers, interpolated weather data and geospatial data from space-based platforms.

Joseph C Coughlan↗

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

The Runtime for Airspace Concept Evaluation (RACE) is an open-source software architecture and framework to build configurable, highly concurrent and distributed message-based systems that offer scalable, low-latency performance on commodity hardware. RACE was used in commercial aviation applications to rapidly build systems that span several machines (including synchronized displays), interface existing hardware simulators and other live data feeds, and incorporate sophisticated visualization components such as NASA WorldWind. These RACE applications validated elements of the FAA’s System Wide Information Management (SWIM) Program, handling up to 1000 messages/sec from diverse sources (SFDPS, TFM-DATA, TAIS, ASDE-X, ITWS and local ADS) for 4,500 simultaneous flights tracked in the next-generation air transportation system’s digital backbone. We have since generalized RACE to support Open Data Integration (ODIN) applications outside aviation. Systems built with RACE/ODIN can be deployed in the field, on commodity hardware, and operate with limited or intermittent connectivity to the outside world. Our primary use case is a web-server with local/persistent data storage that runs within and only serves the stakeholder network (e.g. an incident command post). We are tailoring the RACE/ODIN system to support wildland fire management for the upcoming NASA Wildland Fire Safety Demonstration Series. RACE-ODIN is under consideration for application in the Scalable Traffic Management for Emergency Response Operations project, or STEReO, which aims to create a system that can be deployed during emergencies, to coordinate multiple elements of disaster response. Such data sources predominantly come from existing services on the internet (e.g. weather and satellite data, imported from so called "edge servers") but can also include dynamic (real-time) data from computer simulations and within the stakeholder network (such as aircraft and personnel tracking information). We will present the architecture and ODIN system demonstration incorporating local data from instrumented power-line towers, interpolated weather data and geospatial data from space-based platforms.

Guillaume P Brat↗

Microgravity-Driven Optic Nerve/Sheath Biomechanics Simulations

Visual Impairment and Intracranial Pressure (VIIP) syndrome is a concern for long-duration space flight. Current thinking suggests that the ocular changes observed in VIIP syndrome are related to cephalad fluid shifts resulting in altered fluid pressures [1]. In particular, we hypothesize that increased intracranial pressure (ICP) drives connective tissue remodeling of the posterior eye and optic nerve sheath (ONS). We describe here finite element (FE) modeling designed to understand how altered pressures, particularly altered ICP, affect the tissues of the posterior eye and optic nerve sheath (ONS) in VIIP. METHODS: Additional description of the modeling methodology is provided in the companion IWS abstract by Feola et al. In brief, a geometric model of the posterior eye and optic nerve, including the ONS, was created and the effects of fluid pressures on tissue deformations were simulated. We considered three ICP scenarios: an elevated ICP assumed to occur in chronic microgravity, and ICP in the upright and supine positions on earth. Within each scenario we used Latin hypercube sampling (LHS) to consider a range of ICPs, ONH tissue mechanical properties, intraocular pressures (IOPs) and mean arterial pressures (MAPs). The outcome measures were biomechanical strains in the lamina cribrosa, optic nerve and retina; here we focus on peak values of these strains, since elevated strain alters cell phenotype and induce tissue remodeling. In 3D, the strain field can be decomposed into three orthogonal components, denoted as first, second and third principal strains. RESULTS AND CONCLUSIONS: For baseline material properties, increasing ICP from 0 to 20 mmHg significantly changed strains within the posterior eye and ONS (Fig. 1), indicating that elevated ICP affects ocular tissue biomechanics. Notably, strains in the lamina cribrosa and retina became less extreme as ICP increased; however, within the optic nerve, the occurrence of such extreme strains greatly increased as ICP was elevated (Fig. 2). In particular, c. 48 of simulations in the elevated ICP condition showed peak strains in the optic nerve that exceeded the strains expected on earth. Such extreme strains are likely important, since they represent a larger signal for mechano-responsive resident cells [2]. The models predicted little to no anterior motion of the prelaminar neural tissue (optic nerve swelling, or papilledema, secondary to axoplasmic stasis), typically seen with elevated ICP. Specialized FE models to capture axoplasmic stasis would be required to study papilledema. These results suggest that the most notable effect of elevated ICP may occur via direct optic nerve loading, rather than through connective tissue deformation. These FE models can inform the design of future studies designed to bridge the gap between biomechanics and pathophysiological function in VIIP.

biomechanics↗

A Visual Understanding of Circular Dichroism Spectroscopy

Mapping chemical and structural properties to electronic and magnetic responses is critical to many applications such as quantum information science, where the precise storage and transmission of unique information is paramount. Specifically, constructing molecules and materials that provide strong polarized responses at tunable frequencies and with large anisotropies is key to optical processing of quantum information. Chiral molecules provide chiroptical response to circularly polarized light, making them attractive for quantum information science and other applications related to sensing, polarized photodetectors, and spintronics. Predicting a molecular design, a priori, with large anisotropies to circularly polarized light is challenging due to the complex interplay between electric and magnetic components of the optical response. In this work, we explore a visual representation of the electronic chiroptical response by decomposing the rotary strength into its constituent components. Here, we make use of the intuitive electronic oscillator framework to develop classical intuition regarding the rotary strength and its constituents. We explore three model chemical systems that exhibit local and global chirality. Our analysis reveals that local chirality necessarily exhibits competition between the local chiral center and chirality induced in other fragments of the molecule, resulting in both unexpected nonmonotonic trends and sign flips in chemically adjacent geometries. Furthermore, we can visually distinguish between local and global chirality via examination of the transition chiral tensor. Interestingly, we make strong connections to ferromagnetic and antiferromagnetic spin systems in that chiroptically inactive transitions exhibit antiferromagnetic-like alternating orbital patterns while active transitions show domain formation in an ferromagnetic-like alignment that produces a net chiroptical response.

36 MATERIALS SCIENCE↗

A procedure for calculating the damping in multi-element space structures

A procedure for analyzing the damping in a multielement space structure connected by joints is described, in which distributed material damping and discrete nonlinear joint properties are incorporated into a linear analysis. The procedure involves four steps: (1) creation of a linear undamped finite element model; (2) experimental measurements of the transient response of a truss member in free fall tests to obtain material damping properties; with these properties incorporated into a linear damped finite element model of the structure; (3) the identification of the nonlinear joint properties using the force-state mapping technique; and (4) linearization of the identified nonlinear components, which are then incorporated into the linear damped model to create the linearized damped finite element model.

Crawley, E. F.↗

Correlation Techniques as Applied to Pose Estimation in Space Station Docking

The telerobotic assembly of space-station components has become the method of choice for the International Space Station (ISS) because it offers a safe alternative to the more hazardous option of space walks. The disadvantage of telerobotic assembly is that it does not provide for direct arbitrary views of mating interfaces for the teleoperator. Unless cameras are present very close to the interface positions, such views must be generated graphically, based on calculated pose relationships derived from images. To assist in this photogrammetric pose estimation, circular targets, or spots, of high contrast have been affixed on each connecting module at carefully surveyed positions. The appearance of a subset of spots essentially must form a constellation of specific relative positions in the incoming digital image stream in order for the docking to proceed. Spot positions are expressed in terms of their apparent centroids in an image. The precision of centroid estimation is required to be as fine as 1I20th pixel, in some cases. This paper presents an approach to spot centroid estimation using cross correlation between spot images and synthetic spot models of precise centration. Techniques for obtaining sub-pixel accuracy and for shadow, obscuration and lighting irregularity compensation are discussed.

Rollins, J. Michael↗

Intelligent Patching of Conceptual Geometry for CFD Analysis

The iPatch computer code for intelligently patching surface grids was developed to convert conceptual geometry to computational fluid dynamics (CFD) geometry (see figure). It automatically uses bicubic B-splines to extrapolate (if necessary) each surface in a conceptual geometry so that all the independently defined geometric components (such as wing and fuselage) can be intersected to form a watertight CFD geometry. The software also computes the intersection curves of surface patches at any resolution (up to 10.4 accuracy) specified by the user, and it writes the B-spline surface patches, and the corresponding boundary points, for the watertight CFD geometry in the format that can be directly used by the grid generation tool VGRID. iPatch requires that input geometry be in PLOT3D format where each component surface is defined by a rectangular grid {(x(i,j), y(i,j), z(i,j)):1less than or equal to i less than or equal to m, 1 less than or equal to j less than or equal to n} that represents a smooth B-spline surface. All surfaces in the PLOT3D file conceptually represent a watertight geometry of components of an aircraft on the half-space y greater than or equal to 0. Overlapping surfaces are not allowed, but could be fixed by a utility code "fixp3d". The fixp3d utility code first finds the two grid lines on the two surface grids that are closest to each other in Hausdorff distance (a metric to measure the discrepancies of two sets); then uses one of the grid lines as the transition line, extending grid lines on one grid to the other grid to form a merged grid. Any two connecting surfaces shall have a "visually" common boundary curve, or can be described by an intersection relationship defined in a geometry specification file. The intersection of two surfaces can be at a conceptual level. However, the intersection is directional (along either i or j index direction), and each intersecting grid line (or its spine extrapolation) on the first surface should intersect the second surface. No two intersection relationships will result in a common intersection point of three surfaces. The output files of iPatch are IGES, d3m, and mapbc files that define the CFD geometry in VGRID format. The IGES file gives the NURBS definition of the outer mold line in the geometry. The d3m file defines how the outer mold line is broken into surface patches whose boundary curves are defined by points. The mapbc file specifies what the boundary condition is on each patch and the corresponding NURBS surface definition of each non-planar patch in the IGES file.

Li, Wu↗

Validation Assessment for the Soil Moisture Active Passive (SMAP) Level 4 Carbon (L4_C) Data Product Version 5

The post-launch Cal/Val phase of the SMAP mission is guided by two primary objectives for each science product team: 1) to calibrate, verify, and improve the performance of the science algorithms, and 2) validate accuracies of the science data products as specified in the SMAP Level-1 mission science requirements. Algorithm science and product maintenance activities during the SMAP extended mission phase have also involved periodic algorithm calibration and product refinements to maintain or enhance product consistency and performance as well as science utility. This report provides an assessment of the latest (Version 5) SMAP Level 4 Carbon (L4_C) product. The L4_C Version 5 (v5) global record now spans more than six years (March 2015 – present) of SMAP operations and has benefited from five major reprocessing updates to the operational product. These reprocessing events and L4_C product release updates have incorporated various algorithm refinements and calibration adjustments to account for similar refinements to the upstream GEOS land model assimilation system, SMAP brightness temperatures, and MODIS vegetation inputs used for L4_C processing. The SMAP L4_C algorithms utilize a terrestrial carbon flux model informed by daily surface and root zone soil moisture information contributed from the SMAP Level 4 Soil Moisture (L4_SM) product along with optical remote sensing-based (e.g. MODIS-based) land cover and canopy fractional photosynthetic active radiation (fPAR), and other ancillary biophysical data. The carbon flux model estimates global daily net ecosystem CO2 exchange (NEE) and the component carbon fluxes, namely, vegetation gross primary production (GPP) and soil heterotrophic respiration (Rh). Other L4_C product elements include surface (~0-5 cm depth) soil organic carbon (SOC) stocks and associated environmental constraints to these processes, including soil moisture-related controls on GPP and ecosystem respiration (Kimball et al. 2014, Jones et al. 2017). The L4_C product addresses SMAP carbon cycle science objectives by: 1) providing a direct link between terrestrial carbon fluxes and underlying freeze/thaw and soil moisture-related constraints to these processes, 2) documenting primary connections between terrestrial water, energy and carbon cycles, and 3) improving understanding of terrestrial carbon sink activity. The SMAP L4_C algorithms and operational product are mature and at a CEOS Validation Stage 4 level (Jackson et al. 2012) based on extensive validation of the multi-year record against a diverse array of independent benchmarks, well characterized global performance, and systematic refinements gained from five major reprocessing events. There are no Level-1 mission science requirements for the L4_C product; however, self-imposed requirements have been established focusing on NEE as the primary product field for validation, and on demonstrating L4_C accuracy and success in meeting product science requirements (Jackson et al. 2012). The other L4_C product fields also have strong utility for carbon science applications (e.g., Liu et al. 2019, Endsley et al. 2020); however, analysis of these other fields is considered secondary relative to primary validation activities focusing on NEE. The L4_C targeted accuracy requirements are to meet or exceed a mean unbiased root-mean-square error (ubRMSE, or standard deviation of the error) for NEE of 1.6 g C m-2 d-1 and 30 g C m-2 yr-1, emphasizing northern (≥45°N) boreal and arctic ecosystems; this accuracy is similar to that of tower eddy covariance measurement-based observations (Baldocchi 2008). Methods used for the latest v5 L4_C product performance and validation assessment have been established from the SMAP Cal/Val plan and previous studies (Jackson et al. 2012, Jones et al. 2017) and include: 1) consistency evaluations of the product fields against earlier product releases (version 4 or earlier); 2) comparisons of daily carbon flux estimates with independent tower eddy 4covariance measurement-based daily carbon (CO2) flux observations from core tower validation sites (CVS); and 3) consistency checks against other global carbon products, including soil carbon inventory records, global GPP records derived from tower observation upscaling methods, and satellite-based observations of canopy solar induced chlorophyll fluorescence (SIF) as a surrogate for GPP. Metrics used to evaluate relative agreement between L4_C product fields and observational benchmarks include correlation (r-value), RMSE differences, bias and model sensitivity diagnostics. Following these validation criteria, the present report provides a validation assessment of the latest L4_C product release (v5). Detailed descriptions of the L4_C algorithm and additional global product accuracy and performance results are given elsewhere (Jones et al. 2017, Endsley et al. 2020). The v5 L4_C product replaces earlier product versions and continues to show: (i) accuracy and performance levels meeting or exceeding SMAP L4_C science requirements; (ii) improvement over the previous product version (version 4); and (iii) suitability for a diversity of science applications. Example L4_C applications from the recent literature include clarifying environmental trends and controls on the northern terrestrial carbon sink (Liu et al. 2019), diagnosing drought-related impacts on ecosystem productivity (Li et al. 2020), and regional monitoring of cropland conditions for projecting annual yields (Wurster et al. 2020). 2EXPECTED L4_C ALGORITHM AND PRODUCTPERFORMANCE The L4_C algorithm performance, including variance and uncertainty estimates of model outputs, was determined during the mission pre-launch phase through spatially explicit model sensitivity studies using available model inputs similar to those currently being used for operational production and evaluating the resulting model simulations over the observed range of northern (≥45 °N) and global conditions (Kimball et al. 2012, Entekhabi et al. 2014). The L4_C algorithm options were also evaluated during the mission prelaunch phase, including deriving canopy fPAR from lower order NDVI (Normalized Difference Vegetation Index) inputs in lieu of using MODIS (MOD15) fPAR; and including an explicit model representation of boreal fire disturbance recovery impacts. These results indicated that the L4_C accuracy requirements (i.e., NEE ubRMSE ≤ 30 g C m-2 yr-1or ≤ 1.6 g C m-2 d-1) could be met from the baseline algorithms over more than 82% and 89% of global and northern vegetated land areas, respectively (Yi et al. 2013, Kimball et al. 2014). The global L4_C algorithm error budget for NEE derived during the mission prelaunch phase indicated that the estimated NEE ubRMSE uncertainty is proportional to GPP and is therefore larger in higher biomass productivity areas, including forests and croplands (Kimball et al. 2014). Likewise, NEE ubRMSE uncertainty is expected to be lower in less-productive areas, including grasslands and shrublands. Expected model NEE ubRMSE levels were also generally within targeted accuracy levels for characteristically less-productive boreal and Arctic biomes, even though relative model error as a proportion of total productivity (NEE RMSE / GPP) may be large in these areas. The estimated NEE uncertainty was lower than expected in some warmer tropical high biomass productivity areas (e.g. Amazon rainforest) because of reduced low temperature and moisture constraints to the L4_C respiration calculations so that the bulk of model uncertainty is contributed by GPP in these areas. Model NEE uncertainty in the African Congo was estimated to

SMAP↗

A Multi-Faceted Approach to Demonstrating Multi-Functional Integrated Medical Devices to Advance Earth-Independent Medical Operations

INTRODUCTION TO MIM DEVICES Multi-functional Integrated Medical (MIM) devices conveniently incorporate multiple medical system capabilities within one device. The NASA Exploration Medical Integrated Product Team (XM-IPT) sponsored a market survey and trade study which identified the Tempus ProTM and the LifeBot 10® as the MIM devices that best met the evaluation criteria of the trade study. The Tempus ProTM (Remote Diagnostic Technologies, Ltd., Philips Corp., Farnborough, UK) and LifeBot 10® (LifeBot Health, Chicago, IL) both provide vital sign measurements such as blood pressure, electrocardiograms, heart rate, end tidal CO2, respiration rate, pulse oximetry and temperature along with ultrasound imaging. A video laryngoscopy capability is unique to the Tempus ProTM, while the LifeBot 10® supports connectivity with a digital stethoscope, otoscope, eye exam camera, and dermatoscope. Both devices include procedural guidance capabilities and have various data transmission and report generation features. TECHNOLOGY DEMONSTRATIONS NASA’s exploration-class missions will have severe resource constraints, long return trip durations, significant communication delays, and limited resupply opportunities. The medical systems of these missions will need to fit within an Earth-Independent Medical Operations (EIMO) construct. Key features of an EIMO medical system include: 1) technologies that support the prevention, diagnosis, and treatment of spaceflight medical events; 2) components that meet mass, volume, power and crew time/training constraints; 3) consideration of the medical skill level of the astronaut caregiver; 4) collection, storage and analysis of medical data within a central data architecture; and 5) incorporation of appropriate guidance and support tools that allow crew autonomy. Evaluations are underway to determine if it will be beneficial to include MIM devices within exploration medical systems by conducting a series of planned technical demonstrations. Exploration Atmosphere Chamber studies are being performed to determine MIM functionality in a high oxygen concentration atmosphere. A side-by-side comparison of the Tempus ProTM and LifeBot 10® will be performed during ground-based demonstrations. Use of the MIM devices within an EIMO medical scenario simulation will be practiced during ground-based demonstrations in preparation for International Space Station (ISS) demonstrations of the MIM device. These various demonstrations are designed to gather evidence for or against the inclusion of MIM devices within an EIMO medical system. EXPECTED DEMONSTRATION OUTCOMES Information will be gained about the feasibility, benefits, and challenges of using a multifunctional, all-in-one, medical device for medical diagnosis. Information will also be collected about performance differences as available ground support decreases. Gaining this understanding will allow for further development of exploration medical system capabilities, which take the EIMO construct into consideration.

B. E. Lewandowski↗

Quantifying and visualizing the microscopic degrees of freedom of grain boundaries in the Wigner–Seitz cell of the displacement-shift-complete lattice

Here we introduce a grain boundary (GB) translation vector, t ws , to describe and quantify the domain of the microscopic degrees of freedom of GBs. It has long been recognized that for fixed macroscopic degrees of freedom of a GB there exists a large multiplicity of states characterized by different relative grain translations. More recently another degree of freedom, [n], the number of GB atoms, has emerged and is now recognized as an equally important component of GB structural multiplicity. In this work, we show that all GB microstates can be uniquely characterized by their value of t ws , which is located within the Wigner–Seitz (WS) cell of the Displacement-Shift-Complete lattice (DSCL) of the GB. The GB translation vector captures information about both the translation state and the number of GB atoms. We show that the density of GB microstates inside the WS cell of the DSCL is not uniform and can form clusters that correspond to different GB phases. Further, the vectors connecting the centers of the clusters correspond to the Burgers vectors of GB phase junctions, which can be predicted without building the junctions. Using t ws , we quantify GB excess shear and argue that it is defined up to a DSCL vector, which has implications for thermodynamic equilibrium conditions. Additionally, this work generalizes the definition of the number of GB atoms [n] to asymmetric boundaries.

36 MATERIALS SCIENCE↗

Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase

Fatty acid kinase (Fak) is a two-component enzyme that generates acyl-phosphate for phospholipid synthesis. Fak consists of a kinase domain protein (FakA) that phosphorylates a fatty acid enveloped by a fatty acid binding protein (FakB). The structural basis for FakB function has been established, but little is known about FakA. Here, we used limited proteolysis to define three separate FakA domains: the amino terminal FakA_N, the central FakA_L, and the carboxy terminal FakA_C. The isolated domains lack kinase activity, but activity is restored when FakA_N and FakA_L are present individually or connected as FakA_NL. The X-ray structure of the monomeric FakA_N captures the product complex with ADP and two Mg 2+ ions bound at the nucleotide site. The FakA_L domain encodes the dimerization interface along with conserved catalytic residues Cys240, His282, and His284. AlphaFold analysis of FakA_L predicts the catalytic residues are spatially clustered and pointing away from the dimerization surface. Furthermore, the X-ray structure of FakA_C shows that it consists of two subdomains that are structurally related to FakB. Analytical ultracentrifugation demonstrates that FakA_C binds FakB, and site-directed mutagenesis confirms that a positively charged wedge on FakB meshes with a negatively charged groove on FakA_C. Finally, small angle X-ray scattering analysis is consistent with freely rotating FakA_N and FakA_C domains tethered by flexible linkers to FakA_L. These data reveal specific roles for the three independently folded FakA protein domains in substrate binding and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Conditional Pseudo-Reversible Normalizing Flow for Surrogate Modeling in Quantifying Uncertainty Propagation

We introduce a conditional pseudo-reversible normalizing flow (PR-NF) that directly learns conditional probability distributions from noisy physical models to efficiently quantify both forward and inverse uncertainty propagation. Traditional surrogate modeling approaches approximate only the deterministic component of physical models, requiring separate noise characterization and computationally expensive sampling methods for inverse problems. Here, in this work, we develop the conditional PR-NF model to directly learn and efficiently generate samples from the conditional probability density functions (PDFs). The training process utilizes dataset consisting of input-output pairs without requiring prior knowledge about the noise and the function. Once trained, our model efficiently generates samples from conditional PDFs for any input within the training domain. Moreover, the pseudo-reversibility feature allows for the use of fully connected neural network architectures, which simplifies the implementation and enables theoretical analysis. We provide a rigorous convergence analysis of the conditional PR-NF model, showing its ability to converge to the target conditional PDF using the Kullback−Leibler divergence. To demonstrate the effectiveness of our method, we apply it to several benchmark tests and a real-world geologic carbon storage problem.

97 MATHEMATICS AND COMPUTING↗

Elemental and isotopic abundances in the solar wind

The use of collecting foils and lunar material to assay the isotopic composition of the solar wind is reviewed. Arguments are given to show that lunar surface correlated gases are likely to be most useful in studying the history of the solar wind, though the isotopic abundances are thought to give a good approximation to the solar wind composition. The results of the analysis of Surveyor material are also given. The conditions leading to a significant component of the interstellar gas entering the inner solar system are reviewed and suggestions made for experimental searches for this fraction. A critical discussion is given of the different ways in which the basic solar composition could be modified by fractionation taking place between the sun's surface and points of observation such as on the Moon or in interplanetary space. An extended review is made of the relation of isotopic and elemental composition of the interplanetary gas to the dynamic behavior of the solar corona, especially processes leading to fractionation. Lastly, connection is made between the subject of composition, nucleosynthesis and the convective zone of the sun, and processes leading to modification of initial accretion of certain gases on the Earth and Moon.

Geiss, J.↗

Very high-resolution observations of compact radio sources in the directions of supernova remnants

Compact radio sources whose positions lie within the outlines of supernova remnants may be the stellar remnants of supernova explosions and, if they are related to the supernova remnants, may be used to explore the nature of any morphological connection between the Galactic and extragalactic radio sources. Three such compact sources, G 127.11+0.54, CL 4, and 2051+433, have been observed at 10.65 GHz with an array of very long baseline interferometers having elements in the USA and West Germany. The radio source 2051+433 was also observed briefly at 5.01 GHz. The measured size of CL 4 at 10.65 GHz is about 0.0005 arcsec and seems to be dominated by the effects of interstellar scattering. No fringes were seen in 2051+433, and results indicate there is no compact component of 2051+433 smaller than 0.001 arcsec radiating at 10.65 GHz above a level of about 50 mJy. The possibility is presented that G 127.11+0.54 is a Galactic object. It is found to consist of two components separated by about 0.002 arcsec and oriented perpendicular to both the radio bridge of the supernova remnant G 127.1+0.5 and the underlying optical image. G 127.11+0.54, if Galactic, lies at the extreme low-luminosity end of an apparent continuum of Galactic and extragalactic compact radio source luminosities.

Geldzahler, B. J.↗

Nearly-grazing optimal trajectories for noncoplanar, aeroassisted orbital transfer

This paper discusses aeroassisted orbital transfer maneuvers under the assumption that the terminal orbital inclinations are different. Both GEO-to-LEO and LEO-to-LEO transfers are considered in connection with a spacecraft which is controlled during the atmospheric pass via the angle of attack and the angle of bank. Within the framework of classical optimal control, the following problems are studied: the minimization of the total characteristic velocity (P1); the minimization of the time integral of the square of the path inclination (P5); and the minimization of the peak heating rate (Q1). Numerical solutions are obtained by means of the sequential gradient-restoration logarithm for optimal control problems under the conditions that, for the problem (P1), the plane change components are optimized, while for the problems (P5) and (Q1), the plane change components are kept at the levels determined for problem (P1). The engineering implications of the solutions are discussed, in order to determine the most useful solutions in the light of energy requirements and heat transfer requirements.

Miele, A.↗