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Performance portable ice-sheet modeling with MALI

High-resolution simulations of polar ice sheets play a crucial role in the ongoing effort to develop more accurate and reliable Earth system models for probabilistic sea-level projections. These simulations often require a massive amount of memory and computation from large supercomputing clusters to provide sufficient accuracy and resolution; therefore, it has become essential to ensure performance on these platforms. Many of today’s supercomputers contain a diverse set of computing architectures and require specific programming interfaces in order to obtain optimal efficiency. In an effort to avoid architecture-specific programming and maintain productivity across platforms, the ice-sheet modeling code known as MPAS-Albany Land Ice (MALI) uses high-level abstractions to integrate Trilinos libraries and the Kokkos programming model for performance portable code across a variety of different architectures. In this article, we analyze the performance portable features of MALI via a performance analysis on current CPU-based and GPU-based supercomputers. The analysis highlights not only the performance portable improvements made in finite element assembly and multigrid preconditioning within MALI with speedups between 1.26 and 1.82x across CPU and GPU architectures but also identifies the need to further improve performance in software coupling and preconditioning on GPUs. We perform a weak scalability study and show that simulations on GPU-based machines perform 1.24–1.92x faster when utilizing the GPUs. The best performance is found in finite element assembly, which achieved a speedup of up to 8.65x and a weak scaling efficiency of 82.6% with GPUs. We additionally describe an automated performance testing framework developed for this code base using a changepoint detection method. The framework is used to make actionable decisions about performance within MALI. We provide several concrete examples of scenarios in which the framework has identified performance regressions, improvements, and algorithm differences over the course of 2 years of development.

54 ENVIRONMENTAL SCIENCES↗

Insights from high-fidelity modeling of industrial rotary bell atomization

The global automotive industry sprayed over 2.6 billion liters of paint in 2018, much of which through electrostatic rotary bell atomization, a highly complex process involving the fluid mechanics of rapidly rotating thin films tearing apart into micrometer-thin filaments and droplets. Coating operations account for 65% of the energy usage in a typical automotive assembly plant, representing 10,000s of gigawatt-hours each year in the United States alone. Optimization of these processes would allow for improved robustness, reduced material waste, increased throughput, and significantly reduced energy usage. Here, we introduce a high-fidelity mathematical and algorithmic framework to analyze rotary bell atomization dynamics at industrially relevant conditions. Our approach couples laboratory experiment with the development of robust non-Newtonian fluid models; devises high-order accurate numerical methods to compute the coupled bell, paint, and gas dynamics; and efficiently exploits high-performance supercomputing architectures. These advances have yielded insight into key dynamics, including i) parametric trends in film, sheeting, and filament characteristics as a function of fluid rheology, delivery rates, and bell speed; ii) the impact of nonuniform film thicknesses on atomization performance; and iii) an understanding of spray composition via primary and secondary atomization. These findings result in coating design principles that are poised to improve energy- and cost-efficiency in a wide array of industrial and manufacturing settings.

97 MATHEMATICS AND COMPUTING↗

NASA Tech Briefs, September 2013

Topics include: ISS Ammonia Leak Detection Through X-Ray Fluorescence; A System for Measuring the Sway of the Vehicle Assembly Building; Fast, High-Precision Readout Circuit for Detector Arrays; Victim Simulator for Victim Detection Radar; Hydrometeor Size Distribution Measurements by Imaging the Attenuation of a Laser Spot; Quasi-Linear Circuit; High-Speed, High-Resolution Time-to-Digital Conversion; Li-Ion Battery and Supercapacitor Hybrid Design for Long Extravehicular Activities; Ultrasonic Low-Friction Containment Plate for Thermal and Ultrasonic Stir Weld Processes; High-Powered, Ultrasonically Assisted Thermal Stir Welding; Next-Generation MKIII Lightweight HUT/Hatch Assembly; Centrifugal Sieve for Gravity-Level-Independent Size; Segregation of Granular Materials; Ion Exchange Technology Development in Support of the Urine Processor Assembly; Nickel-Graphite Composite Compliant Interface and/or Hot Shoe Material; UltraSail CubeSat Solar Sail Flight Experiment; Mechanism for Deploying a Long, Thin-Film Antenna From a Rover; Counterflow Regolith Heat Exchanger; Acquisition and Retaining Granular Samples via a Rotating Coring Bit; Very-Low-Cost, Rugged Vacuum System; Medicine Delivery Device With Integrated Sterilization and Detection; FRET-Aptamer Assays for Bone Marker Assessment, C-Telopeptide, Creatinine, and Vitamin D; Multimode Directional Coupler for Utilization of Harmonic Frequencies from TWTAs; Dual-Polarization, Multi-Frequency Antenna Array for use with Hurricane Imaging Radiometer; Complementary Barrier Infrared Detector (CBIRD) Contact Methods; Autonomous Control of Space Nuclear Reactors; High-Power, High-Speed Electro-Optic Pockels Cell Modulator; Covariance Analysis Tool (G-CAT) for Computing Ascent, Descent, and Landing Errors; Enigma Version 12; Micrometeoroid and Orbital Debris (MMOD) Shield Ballistic Limit Analysis Program; Spitzer Telemetry Processing System; Planetary Protection Bioburden Analysis Program; Wing Leading Edge RCC Rapid Response Damage Prediction Tool (IMPACT2); ISSM: Ice Sheet System Model; Automated Loads Analysis System (ATLAS); Integrated Main Propulsion System Performance Reconstruction Process/Models. Phoenix Telemetry Processor; Contact Graph Routing Enhancements Developed in ION for DTN; GFEChutes Lo-Fi; Advanced Strategic and Tactical Relay Request Management for the Mars Relay Operations Service; Software for Generating Troposphere Corrections for InSAR Using GPS and Weather Model Data; Ionospheric Specifications for SAR Interferometry (ISSI); Implementation of a Wavefront-Sensing Algorithm; Sally Ride EarthKAM - Automated Image Geo-Referencing Using Google Earth Web Plug-In; Trade Space Specification Tool (TSST) for Rapid Mission Architecture (Version 1.2); Acoustic Emission Analysis Applet (AEAA) Software; Memory-Efficient Onboard Rock Segmentation; Advanced Multimission Operations System (ATMO); Robot Sequencing and Visualization Program (RSVP); Automating Hyperspectral Data for Rapid Response in Volcanic Emergencies; Raster-Based Approach to Solar Pressure Modeling; Space Images for NASA JPL Android Version; Kinect Engineering with Learning (KEWL); Spacecraft 3D Augmented Reality Mobile App; MPST Software: grl_pef_check; Real-Time Multimission Event Notification System for Mars Relay; SIM_EXPLORE: Software for Directed Exploration of Complex Systems; Mobile Timekeeping Application Built on Reverse-Engineered JPL Infrastructure; Advanced Query and Data Mining Capabilities for MaROS; Jettison Engineering Trajectory Tool; MPST Software: grl_suppdoc; PredGuid+A: Orion Entry Guidance Modified for Aerocapture; Planning Coverage Campaigns for Mission Design and Analysis: CLASP for DESDynl; and Space Place Prime.

Source record↗

Ghost imaging second harmonic generation microscopy

Second harmonic generation (SHG) microscopy is useful for visualizing interfaces and sub-structures within a wide range of materials due to the propensity for SHG to occur in non-centrosymmetric environments. However, since SHG is a nonlinear process generally necessitating small focal sizes for higher peak powers, a raster scanning approach is usually needed to build an SHG image over a significant sample size. While raster scanning is effective, there is a cost in terms of the time needed to acquire the image and, also, some materials cannot withstand the higher optical intensities within the small focal volume. As such, we describe a SHG microscopy approach based on ghost imaging (GI), which enables imaging data to be collected in parallel rather than sequentially as in raster scanning techniques. We experimentally demonstrate the approach and combine GI-SHG with compressive sensing to make further substantial gains in reducing the amount of sampling required for image reconstruction. Furthermore, GI-SHG is shown to have significant advantages for imaging in highly scattering environments, partly because GI is a background-free approach requiring spatial correlations between photons that travel two paths, with one path entirely devoid of sample interaction. This basic property of GI means that only the photons that travel unimpeded through the sample preserve the spatial correlations needed to reconstruct the image, while more scattered photons do not contribute to the overall GI signal. Finally, we compare the image quality and sampling properties of three different reconstruction algorithms used for compressive sensing.

47 OTHER INSTRUMENTATION↗

Kraken2 Metagenomic Virus Database

The Database: Kraken2 [1] database built from a classification tree containing over 700k metagenomic viruses from JGI IMG/VR [2]. (1) Wood, D. E., Lu, J., and Langmead, B. (2019). Improved metagenomic analysis with Kraken 2. Genome Biol., 20(1), 1–13. doi: 10.1186/s13059-019-1891-0 (2) Paez-Espino D, Chen I-MA, Palaniappan K, Ratner A, Chu K, Szeto E, et al. IMG/VR: a database of cultured and uncultured DNA Viruses and retroviruses. Nucleic Acids Res. 2017;45:D457-65. For Paper: Title: A k-mer based approach for virus classification in metatranscriptomic and metagenomic samples identifies viral associations in the Populus phytobiome and autism brains Abstract Background Viruses are an underrepresented taxa in the study and identification of microbiome constituents; however, they play an important role in health, microbiome regulation, and transfer of genetic material. Only a few thousand viruses have been isolated, sequenced, and assigned a taxonomy, which further limits the ability to identify and quantify viruses in the microbiome. Additionally, the vast diversity of viruses represents a challenge for classification, not only in constructing a viral taxonomy, but also in identifying similarities between a virus' genotype and its phenotype. However, the diversity of viral sequences can be leveraged to classify their sequences in metagenomic and metatranscriptomic samples. Methods To identify viruses in transcriptomic and genomic samples, we developed a dynamic programming algorithm for creating a classification tree out of 715,672 metagenome viruses. To create the classification tree, we clustered proportional similarity scores generated from the k-mer profiles of each of the metagenome viruses. We then integrated the viral classification tree with the NCBI taxonomy for use with ParaKraken, a metagenomic/transcriptomic classifier. Results To illustrate the breadth of our utility for classifying viruses with ParaKraken, we analyzed data from a plant metagenome study identifying the differences between two Populus genotypes in three different compartments and on a human metatranscriptome study identifying the differences between Autism Spectrum Disorder patients and controls in post mortem brain biopsies. In the Populus study, we identified genotype and compartment specific viral signatures, while in the Autism study we identified a significant increased abundance of eight viral sequences in Autism brain biopsies. Conclusion Viruses represent an important aspect of the microbiome. The ability to classify viruses represents the first step in being able to better understand their role in the microbiome. The viral classification method presented here allows for more complete identification of viral sequences for use in identifying associations between viruses and the host and viruses and other microbiome members. Acknowledgements and Funding This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. This research was also supported by the Plant-Microbe Interfaces Scientific Focus Area in the Genomic Science Program, the Office of Biological and Environmental Research (BER) in the U.S. Department of Energy Office of Science, and by the Department of Energy, Laboratory Directed Research and Development funding (ProjectID 8321), at the Oak Ridge National Laboratory. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the US DOE under contract DE-AC05-00OR22725. This research used resources of the Compute and Data Environment for Science (CADES).

59 BASIC BIOLOGICAL SCIENCES↗

Dose Calibration of the ISS-RAD Fast Neutron Detector

The ISS-RAD instrument has been fabricated by Southwest Research Institute and delivered to NASA for flight to the ISS in late 2015 or early 2016. ISS-RAD is essentially two instruments that share a common interface to ISS. The two instruments are the Charged Particle Detector (CPD), which is very similar to the MSL-RAD detector on Mars, and the Fast Neutron Detector (FND), which is a boron-loaded plastic scintillator with readout optimized for the 0.5 to 10 MeV energy range. As the FND is completely new, it has been necessary to develop methodology to allow it to be used to measure the neutron dose and dose equivalent. This talk will focus on the methods developed and their implementation using calibration data obtained in quasi-monoenergetic (QMN) neutron fields at the PTB facility in Braunschweig, Germany. The QMN data allow us to determine an approximate response function, from which we estimate dose and dose equivalent contributions per detected neutron as a function of the pulse height. We refer to these as the "pSv per count" curves for dose equivalent and the "pGy per count" curves for dose. The FND is required to provide a dose equivalent measurement with an accuracy of 10% of the known value in a calibrated AmBe field. Four variants of the analysis method were developed, corresponding to two different approximations of the pSv per count curve, and two different implementations, one for real-time analysis onboard ISS and one for ground analysis. We will show that the preferred method, when applied in either real-time or ground analysis, yields good accuracy for the AmBe field. We find that the real-time algorithm is more susceptible to chance-coincidence background than is the algorithm used in ground analysis, so that the best estimates will come from the latter.

Zeitlin, C.↗

SPARC: Structural properties associated with residue constraints

SPARC facilitates the generation of plausible hypotheses regarding underlying biochemical mechanisms by structurally characterizing protein sequence constraints. Such constraints appear as residues co-conserved in functionally related subgroups, as subtle pairwise correlations (i.e., direct couplings), and as correlations among these sequence features or with structural features. SPARC performs three types of analyses. First, based on pairwise sequence correlations, it estimates the biological relevance of alternative conformations and of homomeric contacts, as illustrated here for death domains. Second, it estimates the statistical significance of the correspondence between directly coupled residue pairs and interactions at heterodimeric interfaces. Third, given molecular dynamics simulated structures, it characterizes interactions among constrained residues or between such residues and ligands that: (a) are stably maintained during the simulation; (b) undergo correlated formation and/or disruption of interactions with other constrained residues; or (c) switch between alternative interactions. We illustrate this for two homohexameric complexes: the bacterial enhancer binding protein (bEBP) NtrC1, which activates transcription by remodeling RNA polymerase (RNAP) containing σ 54 , and for DnaB helicase, which opens DNA at the bacterial replication fork. Based on the NtrC1 analysis, we hypothesize possible mechanisms for inhibiting ATP hydrolysis until ADP is released from an adjacent subunit and for coupling ATP hydrolysis to restructuring of σ 54 binding loops. Based on the DnaB analysis, we hypothesize that DnaB ‘grabs’ ssDNA by flipping every fourth base and inserting it into cavities between subunits and that flipping of a DnaB-specific glutamine residue triggers ATP hydrolysis.

97 MATHEMATICS AND COMPUTING↗

A Comparison between Invariant and Equivariant Classical and Quantum Graph Neural Networks

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, have greatly motivated the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, we can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we provide a fair and comprehensive comparison of classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their area under the curve (AUC) scores, the quantum networks were found to outperform the classical networks. However, seeing the computational advantage of quantum networks in practice may have to wait for the further development of quantum technology and its associated application programming interfaces (APIs).

Forestano, Roy T. (ORCID:0000000203552076)↗

Seasonal Surface Spectral Emissivity Derived from VIIRS Data

Surface emissivity is essential for many remote-sensing applications including the retrieval of surface skin temperature from satellite-based infrared measurements, the determination of cloud detection thresholds, and the estimation of the surface longwave radiation emission, an important component of the energy budget of the surface-atmosphere interface. The CERES (Clouds and the Earth’s Radiant Energy System) Project is measuring broadband shortwave and longwave radiances and deriving cloud properties from the MODIS on Terra and Aqua and from the VIIRS on NOAA-19 and NOAA-20 orbiters to produce combined global radiation and cloud property data sets. Zhou et al. (IEEE Trans. Geosci. Remote Sens., 49, 2011) used Infrared Atmospheric Sounding Interferometer (IASI) data to create a high spectral resolution surface emissivity atlas for remote sensing and modeling applications. The IASI measures spectral radiances between 3.62 and 15.5 µm. The VIIRS I4 channel width is from 3.55 to 3.93 µm, while MODIS Band 20 is from 3.66 to 3.84 µm. Comparisons of top-of-atmosphere (TOA) radiance calculations with MODIS and VIIRS observations for these bands suggest that the IASI emissivity atlas near 3.7 µm may not be suitable for CERES cloud retrievals. In this paper, the IASI emissivities for the VIIRS and MODIS bands centered near 11µm are used to derive surface skin temperature from nighttime MODIS/VIIRS data. The Goddard Earth Observing System for Instrument Teams (GEOS-IT) numerical weather analyses provide temperature and water vapor profiles fused to correct the observed radiances for atmospheric absorption and emission. Global seasonal emissivity maps are then derived for the VIIRS and MODIS 3.7µm bands that are consistent with the derived skin temperatures and the observed TOA radiances. These seasonal climatology maps will be validated and used in CERES Edition 5 and other CERES-related cloud retrieval algorithms to provide improved clear-sky radiances and derived cloud properties.

Surface Emissivity↗

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

transient↗

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

transient↗

Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing

Modern quantum chemistry algorithms are increasingly able to accurately predict molecular properties that are useful for chemists in research and education. Despite this progress, performing such calculations is currently unattainable to the wider chemistry community, as they often require domain expertise, computer programming skills, and powerful computer hardware. In this review, we outline methods to eliminate these barriers using cutting-edge technologies. We discuss the ingredients needed to create accessible platforms that can compute quantum chemistry properties in real time, including graphical processing units–accelerated quantum chemistry in the cloud, artificial intelligence–driven natural molecule input methods, and extended reality visualization. We end by highlighting a series of exciting applications that assemble these components to create uniquely interactive platforms for computing and visualizing spectra, 3D structures, molecular orbitals, and many other chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parallel Simulation of Unsteady Turbulent Flames

Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics within each LES grid cell. Finite-rate kinetics can be included without any closure and this approach actually provides a means to predict the turbulent rates and the turbulent flame speed. The subgrid combustion model requires resolution of the local time scales associated with small-scale mixing, molecular diffusion and chemical kinetics and, therefore, within each grid cell, a significant amount of computations must be carried out before the large-scale (LES resolved) effects are incorporated. Therefore, this approach is uniquely suited for parallel processing and has been implemented on various systems such as: Intel Paragon, IBM SP-2, Cray T3D and SGI Power Challenge (PC) using the system independent Message Passing Interface (MPI) compiler. In this paper, timing data on these machines is reported along with some characteristic results.

Menon, Suresh↗

Science Opportunity Analyzer (SOA) Version 8

SOA allows scientists to plan spacecraft observations. It facilitates the identification of geometrically interesting times in a spacecraft s orbit that a user can use to plan observations or instrument-driven spacecraft maneuvers. These observations can then be visualized multiple ways in both two- and three-dimensional views. When observations have been optimized within a spacecraft's flight rules, the resulting plans can be output for use by other JPL uplink tools. Now in its eighth major version, SOA improves on these capabilities in a modern and integrated fashion. SOA consists of five major functions: Opportunity Search, Visualization, Observation Design, Constraint Checking, and Data Output. Opportunity Search is a GUI-driven interface to existing search engines that can be used to identify times when a spacecraft is in a specific geometrical relationship with other bodies in the solar system. This function can be used for advanced mission planning as well as for making last-minute adjustments to mission sequences in response to trajectory modifications. Visualization is a key aspect of SOA. The user can view observation opportunities in either a 3D representation or as a 2D map projection. Observation Design allows the user to orient the spacecraft and visualize the projection of the instrument field of view for that orientation using the same views as Opportunity Search. Constraint Checking is provided to validate various geometrical and physical aspects of an observation design. The user has the ability to easily create custom rules or to use official project-generated flight rules. This capability may also allow scientists to easily assess the cost to science if flight rule changes occur. Data Output allows the user to compute ancillary data related to an observation or to a given position of the spacecraft along its trajectory. The data can be saved as a tab-delimited text file or viewed as a graph. SOA combines science planning functionality unique to both JPL and the sponsoring spacecraft. SOA is able to ingest JPL SPICE Kernels that are used to drive the tool and its computations. A Percy search engine is then included that identifies interesting time periods for the user to build observations. When observations are then built, flight-like orientation algorithms replicate spacecraft dynamics to closely simulate the flight spacecraft s dynamics. SOA v8 represents large steps forward from SOA v7 in terms of quality, reliability, maintainability, efficiency, and user experience. A tailored agile development environment has been built around SOA that provides automated unit testing, continuous build and integration, a consolidated Web-based code and documentation storage environment, modern Java enhancements, and a focus on usability

Witoff, Robert J.↗

Phase Shift Interferometer and Growth Set Up to Step Pattern Formation During Growth From Solutions. Influence of the Oscillatory solution Flow on Stability

We have assembled an experimental setup based on Michelson interferometry with the growing crystal surface as one of the reflective surfaces. The crystallization part of the device allows optical monitoring of a face of a crystal growing at temperature stable within 0.05 C in a flow of solution of controlled direction and speed. The reference arm of the interferometer contains a liquid crystal element that allows controlled shifts of the phase of the interferograms. We employ an image-processing algorithm, which combines five images with a pi/2 phase difference between each pair of images. The images are transferred to a computer by a camera capable of capturing 60 frames per second. The device allows data collection on surface morphology and kinetics during the face layers growth over a relatively large area (approximately 4 sq. mm) in situ and in real time during growth. The estimated depth resolution of the phase shifting interferometry is approximately 50 Angstroms. The data will be analyzed in order to reveal and monitor step bunching during the growth process. The crystal chosen as a model for study in this work is KH2PO4 (KDP). This optically non-linear material is widely used in frequency doubling applications. There have been a number of studies of the kinetics of KDP crystallization that can serve as a benchmark for our investigations. However, so far, systematic quantitative characteristics of step interaction and bunching are missing. We intend to present our first quantitative results on the onset, initial stages and development of instabilities in moving step trains on vicinal crystal surfaces at varying supersaturation, flow rate, and flow direction. Behavior of a vicinal face growing from solution flowing normal to the steps and periodically changing its direction in time was considered theoretically. It was found that this oscillating flow reduces both stabilization and destabilization effects resulted from the unidirectional solution flow directed up the step stream and down the step stream. This reduction of stabilization and destabilization comes from effective mixing which entangles the phase shifts between the spatially periodic interface perturbation and the concentration wave induced by this perturbation. Numerical results and simplified mixing criterion will be discussed.

Chernov, Alex A.↗

Seasonal Surface Spectral Emissivity Derived From MODIS Data

Surface emissivity is essential for many remote-sensing applications including the retrieval of surface skin temperature from satellite-based infrared measurements, the determination of cloud detection thresholds, and the estimation of the surface longwave radiation emission, an important component of the energy budget of the surface-atmosphere interface. The CERES (Clouds and the Earth’s Radiant Energy System) Project is measuring broadband shortwave and longwave radiances and deriving cloud properties from the MODIS on Terra and Aqua and from the VIIRS on NOAA-19 and NOAA-20 orbiters to produce combined global radiation and cloud property data sets. Zhou et al. (IEEE Trans. Geosci. Remote Sens., 49, 2011) used Infrared Atmospheric Sounding Interferometer (IASI) data to create a high spectral resolution surface emissivity atlas for remote sensing and modeling applications. The IASI measures spectral radiances between 3.62 and 15.5 μm. The VIIRS I4 channel width is from 3.55 to 3.93 μm, while MODIS Band 20 is from 3.66 to 3.84 m. Comparisons of top-of-atmosphere (TOA) radiance calculations with MODIS and VIIRS observations for these bands relative to bands in the mid-infrared suggest that the IASI emissivity atlas near 3.7 µm may not be suitable for CERES cloud retrievals. In this paper, the IASI emissivities for the VIIRS and MODIS bands centered near 11m are used to derive surface skin temperature from nighttime MODIS/VIIRS data. The Goddard Earth Observing System for Instrument Teams (GEOS-IT) numerical weather analyses provide temperature and water vapor profiles fused to correct the observed radiances for atmospheric absorption and emission. Global seasonal emissivity maps are then derived for the VIIRS and MODIS 3.7-m bands that are consistent with the derived skin temperatures and the observed TOA radiances. These seasonal climatology maps are validated and will be used in CERES Edition 5 and other CERES-related cloud retrieval algorithms to provide improved clear-sky radiances and derived cloud properties.

Surface Emissivity↗

Optimized Tandem Catalyst Patterning for CO 2 Reduction Flow Reactors

Tandem catalysis involves two or more catalysts arranged in proximity within a single reaction vessel, with the aim of synergistically aligning the catalysts’ reaction pathways to maximize overall system performance. This study presents a proof of concept showing the integration of continuum transport modeling with design optimization in a simplified two-dimensional flow reactor setup for electrochemical CO 2 reduction. Ag catalysts provide the CO 2 ⟶ CO reaction capability, and Cu catalysts provide the CO ⟶ high-value products reaction capability. Given a set of input parameters, the optimization algorithm uses adjoint methods to modify the Ag/Cu surface patterning in order to maximize the current density toward high-value products, such as ethylene. The optimized designs yield significant performance enhancement especially at more negative applied voltages (i.e., stronger surface reactions) and for larger numbers of patterning sections. For an applied voltage of −1.7 V vs. SHE, the 12-section optimized design increases the current density toward ethylene by up to 65% compared to the unoptimized 2-section design. For the optimized cases, observed differences in the production and consumption of CO (the key intermediate species) and minimized zones of low CO reactant surface concentration on Cu sections explain the improved reactor performance.

CO2 reduction↗

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

Turbine Electrified Energy Management↗