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Distance between images

Comparing two binary images and assigning a quantitative measure to this comparison finds its purpose in such tasks as image recognition, image compression, and image browsing. This quantitative measurement may be computed by utilizing the Hausdorff distance of the images represented as two-dimensional point sets. In this paper, we review two algorithms that have been proposed to compute this distance, and we present a parallel implementation of one of them on the MasPar parallel processor. We study their complexity and the results obtained by these algorithms for two different types of images: a set of displaced pairs of images of Gaussian densities, and a comparison of a Canny edge image with several edge images from a hierarchical region growing code.

Gualtieri, J. A.↗

Managing MDO Software Development Projects

Over the past decade, the NASA Langley Research Center developed a series of 'grand challenge' applications demonstrating the use of parallel and distributed computation and multidisciplinary design optimization. All but the last of these applications were focused on the high-speed civil transport vehicle; the final application focused on reusable launch vehicles. Teams of discipline experts developed these multidisciplinary applications by integrating legacy engineering analysis codes. As teams became larger and the application development became more complex with increasing levels of fidelity and numbers of disciplines, the need for applying software engineering practices became evident. This paper briefly introduces the application projects and then describes the approaches taken in project management and software engineering for each project; lessons learned are highlighted.

Townsend, J. C.↗

Scale Dependence of Cirrus Horizontal Heterogeneity Effects on TOA Measurements: MODIS Brightness Temperatures in the Thermal Infrared - Part I

This paper presents a study on the impact of cirrus cloud heterogeneities on MODIS simulated thermal infrared (TIR) brightness temperatures (BTs) at the top of the atmosphere (TOA) as a function of spatial resolution from 50 meters to 10 kilometers. A realistic 3-D (three-dimensional) cirrus field is generated by the 3DCLOUD model (average optical thickness of 1.4, cloudtop and base altitudes at 10 and 12 kilometers, respectively, consisting of aggregate column crystals of D (sub eff) equals 20 microns), and 3-D thermal infrared radiative transfer (RT) is simulated with the 3DMCPOL (3-D Monte Carlo Polarized) code. According to previous studies, differences between 3-D BT computed from a heterogenous pixel and 1-D (one-dimensional) RT computed from a homogeneous pixel are considered dependent at nadir on two effects: (i) the optical thickness horizontal heterogeneity leading to the plane-parallel homogeneous bias (PPHB); and the (ii) horizontal radiative transport (HRT) leading to the independent pixel approximation error (IPAE). A single but realistic cirrus case is simulated and, as expected, the PPHB mainly impacts the low-spatial resolution results (above approximately 250 meters), with averaged values of up to 5-7 K (thousand), while the IPAE mainly impacts the high-spatial resolution results (below approximately 250 meters) with average values of up to 1-2 K (thousand). A sensitivity study has been performed in order to extend these results to various cirrus optical thicknesses and heterogeneities by sampling the cirrus in several ranges of parameters. For four optical thickness classes and four optical heterogeneity classes, we have found that, for nadir observations, the spatial resolution at which the combination of PPHB and HRT effects is the smallest, falls between 100 and 250 meters. These spatial resolutions thus appear to be the best choice to retrieve cirrus optical properties with the smallest cloud heterogeneity-related total bias in the thermal infrared. For off-nadir observations, the average total effect is increased and the minimum is shifted to coarser spatial resolutions.

TOA↗

Overview of Ablative TPS Modeling at NASA Ames

Over the past decade, NASA has invested in efforts to build predictive thermal protection system (TPS) material models from the micro-scale to the macro-scale. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. Traditional material response and ablation modeling tools, such as the heritage code FIAT, and its multidimensional siblings, TITAN and 3dFIAT, are being complemented with newly developed software such as Icarus and PATO. Both of these programs are three-dimensional, finite-volume solvers that use unstructured meshes and 21st century programming paradigms to allow for efficient parallel simulations. FIAT and Icarus are also used for TPS sizing purposes. Today, these traditional tools are being supplemented with computational materials models at the atomistic level. The scales of interest range from computational chemistry (Density Functional Theory [DFT]), to atomistic simulations (Molecular Dynamics [MD]), to the microscale with the Porous Microstructure Analysis (PuMA) software that was recently awarded the 2022 NASA Software of the Year award. Finally, thermo-structural modeling is also of interest to the TPS Materials branch and done using commercial tools such as MSC MARC, MENTAT, NASTRAN and PATRAN. The present talk will also link the use of these computational tools to current NASA missions and projects associated with challenging and complex vehicles entries/reentries.

materials modeling↗

Bayesian Optimization for Anything (BOA): An open-source framework for accessible, user-friendly Bayesian optimization

We introduce Bayesian Optimization for Anything (BOA), a high-level Bayesian Optimization (BO) framework and model wrapping toolkit, which presents a novel approach to simplifying BO, with the goal of making it more accessible and user-friendly, particularly for those with limited expertise in the field. BOA addresses common barriers in implementing BO, focusing on ease of use, reducing the need for deep domain knowledge, and cutting down on extensive coding requirements. A notable feature of BOA is its language-agnostic architecture, which facilitates broader application in various fields and to a wider audience. We showcase BOA's application through three examples: a high-dimensional optimization with parameters of the SWAT+ watershed model, a highly parallelized optimization of this intrinsically non-parallel model, and a multi-objective optimization of the FETCH Tree-Crown Hydrodynamics model. Furthermore, these test cases illustrate BOA's effectiveness in addressing complex optimization challenges in diverse scenarios.

54 ENVIRONMENTAL SCIENCES↗

All-electron APW+ lo calculation of magnetic molecules with the SIRIUS domain-specific package

We report APW+lo (augmented plane wave plus local orbital) density functional theory (DFT) calculations of large molecular systems using the domain specific SIRIUS multi-functional DFT package. The APW and FLAPW (full potential linearized APW) task and data parallelism options and the advanced eigen-system solver provided by SIRIUS can be exploited for performance gains in ground state Kohn–Sham calculations on large systems. This approach is distinct from our prior use of SIRIUS as a library backend to another APW+lo or FLAPW code. We benchmark the code and demonstrate performance on several magnetic molecule and metal organic framework systems. We show that the SIRIUS package in itself is capable of handling systems as large as a several hundred atoms in the unit cell without having to make technical choices that result in the loss of accuracy with respect to that needed for the study of magnetic systems.

Chemistry↗

Materials response under hypersonic flow conditions probed by multi-modal diagnostics in a benchtop wind tunnel

In this LDRD “Materials response under hypersonic flow conditions probed by multi-modal diagnostics in a benchtop wind tunnel” a peer-reviewed lab-scale hypersonic wind tunnel (WT) was planned to be assembled in-house, along with time and space resolved and related flow and materials diagnostics to derive high quality measurements and the science that is able to inform the development of our modeling and simulation codes for the hypersonic regime. The baseline capability to achieve Mach 3 flow was scheduled to be completed in Q4 2020, in the first year of the LDRD. However due to the COVID-19 delays and travel restrictions starting in March, 2020 this task could not be completed to carry out the materials response studies in-house, or those planned with external partners that were engaged during this LDRD (NASA Langley, NASA Ames, Texas A&M university, and Virginia Tech). Still, using our hypersonic computational fluid simulation codes, many of the hypersonic components have been designed (for Mach 3, 5, and 7) and procured (or in procurement phase), and a new dedicated hypersonic laboratory was facilitized, 2 WT test sections have been manufactured, and a Mach 3 nozzle was 3D printed for prototyping. In parallel, unique materials diagnostics have been tested under static conditions and fully specified and awaiting validation in our partner facilities. Due to the new hypersonic initiative announced in January, 2020 we proposed a related scope increase in hypersonics research requiring energy interactions and new diagnostics well beyond what could be supported by an LDRD ER. A decision was made to end the current LDRD ER and formally propose a new LDRD SI that leverages the current effort, which will be starting in FY21. As a result of the uniqueness of this LDRD work, our early efforts have been encouraged and well received in the hypersonic research community, and is now part of multiple unsolicited internal and external project proposals expected to be funded in the coming years, which is encouraging to make LLNL a leader in experimentally probing extreme physics of local energetics critical to hypersonics.

36 MATERIALS SCIENCE↗

Coupling of CTF and TRACE for Modeling of Transients

This report documents the improvements that have been made to the capabilities for coupling CTF to systems codes-specifically, the US Nuclear Regulatory Commission (NRC) TRACE code. An initial systems coupling capability had been set up previously using a nonoverlapping domain approach with the codes exchanging data at the core boundaries. The present work adds a new approach using overlapping domains, in which the system code models the core as well. A new input format has been added to allow the user to specify the physical quantities to be exchanged and their location in the system model, which gives the flexibility of applying one-way or two-way coupling between the codes using the desired data exchanges. In addition to applying thermal-hydraulics (T/H) boundary condition (BC) values obtained from TRACE, a capability was added to allow CTF to apply flow resistance feedback to TRACE to match the CTF core pressure drop. Support was added for executing parallel CTF models within the CTF-systems coupling. The system coupling capability was successfully applied to a parallel MSLB transient, demonstrating that both the one-way and two-way coupling behaved as expected and provided substantial improvements to numerical stability and routine compared to the previous nonoverlapping domain coupling. An initial capability was also developed for performing restart calculations in CTF which will be used in the future for restarting CTF-TRACE simulations at specific points in the transient simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The VTK-m User's Guide (V. 2.2)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗

Porting HEP Parameterized Calorimeter Simulation Code to GPUs

The High Energy Physics (HEP) experiments, such as those at the Large Hadron Collider (LHC), traditionally consume large amounts of CPU cycles for detector simulations and data analysis, but rarely use compute accelerators such as GPUs. As the LHC is upgraded to allow for higher luminosity, resulting in much higher data rates, purely relying on CPUs may not provide enough computing power to support the simulation and data analysis needs. As a proof of concept, we investigate the feasibility of porting a HEP parameterized calorimeter simulation code to GPUs. We have chosen to use FastCaloSim, the ATLAS fast parametrized calorimeter simulation. While FastCaloSim is sufficiently fast such that it does not impose a bottleneck in detector simulations overall, significant speed-ups in the processing of large samples can be achieved from GPU parallelization at both the particle (intra-event) and event levels; this is especially beneficial in conditions expected at the high-luminosity LHC, where extremely high per-event particle multiplicities will result from the many simultaneous proton-proton collisions. We report our experience with porting FastCaloSim to NVIDIA GPUs using CUDA. A preliminary Kokkos implementation of FastCaloSim for portability to other parallel architectures is also described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-density digital recording

The problems associated with high-density digital recording (HDDR) are discussed. Five independent users of HDDR systems and their problems, solutions, and insights are provided as guidance for other users of HDDR systems. Various pulse code modulation coding techniques are reviewed. An introduction to error detection and correction head optimization theory and perpendicular recording are provided. Competitive tape recorder manufacturers apply all of the above theories and techniques and present their offerings. The methodology used by the HDDR Users Subcommittee of THIC to evaluate parallel HDDR systems is presented.

Kalil, F.↗

Autonomous sensor-based dual-arm satellite grappling

Dual-arm satellite grappling involves the integration of technologies developed in the Sensing and Perception (S&P) Subsystem for object acquisition and tracking, and the Manipulator Control and Mechanization (MCM) Subsystem for dual-arm control. S&P acquires and tracks the position, orientation, velocity, and angular velocity of a slowly spinning satellite, and sends tracking data to the MCM subsystem. MCM grapples the satellite and brings it to rest, controlling the arms so that no excessive forces or torques are exerted on the satellite or arms. A 350-pound satellite mockup which can spin freely on a gimbal for several minutes, closely simulating the dynamics of a real satellite is demonstrated. The satellite mockup is fitted with a panel under which may be mounted various elements such as line replacement modules and electrical connectors that will be used to demonstrate servicing tasks once the satellite is docked. The subsystems are housed in three MicroVAX II microcomputers. The hardware of the S&P Subsystem includes CCD cameras, video digitizers, frame buffers, IMFEX (a custom pipelined video processor), a time-code generator with millisecond precision, and a MicroVAX II computer. Its software is written in Pascal and is based on a locally written vision software library. The hardware of the MCM Subsystem includes PUMA 560 robot arms, Lord force/torque sensors, two MicroVAX II computers, and unimation pneumatic parallel grippers. Its software is written in C, and is based on a robot language called RCCL. The two subsystems are described and test results on the grappling of the satellite mockup with rotational rates of up to 2 rpm are provided.

Wilcox, Brian↗

Scalable High Performance Computing: Direct and Large-Eddy Turbulent Flow Simulations Using Massively Parallel Computers

This final report contains reports of research related to the tasks "Scalable High Performance Computing: Direct and Lark-Eddy Turbulent FLow Simulations Using Massively Parallel Computers" and "Devleop High-Performance Time-Domain Computational Electromagnetics Capability for RCS Prediction, Wave Propagation in Dispersive Media, and Dual-Use Applications. The discussion of Scalable High Performance Computing reports on three objectives: validate, access scalability, and apply two parallel flow solvers for three-dimensional Navier-Stokes flows; develop and validate a high-order parallel solver for Direct Numerical Simulations (DNS) and Large Eddy Simulation (LES) problems; and Investigate and develop a high-order Reynolds averaged Navier-Stokes turbulence model. The discussion of High-Performance Time-Domain Computational Electromagnetics reports on five objectives: enhancement of an electromagnetics code (CHARGE) to be able to effectively model antenna problems; utilize lessons learned in high-order/spectral solution of swirling 3D jets to apply to solving electromagnetics project; transition a high-order fluids code, FDL3DI, to be able to solve Maxwell's Equations using compact-differencing; develop and demonstrate improved radiation absorbing boundary conditions for high-order CEM; and extend high-order CEM solver to address variable material properties. The report also contains a review of work done by the systems engineer.

Morgan, Philip E.↗

Using the GeoFEST Faulted Region Simulation System

GeoFEST (the Geophysical Finite Element Simulation Tool) simulates stress evolution, fault slip and plastic/elastic processes in realistic materials, and so is suitable for earthquake cycle studies in regions such as Southern California. Many new capabilities and means of access for GeoFEST are now supported. New abilities include MPI-based cluster parallel computing using automatic PYRAMID/Parmetis-based mesh partitioning, automatic mesh generation for layered media with rectangular faults, and results visualization that is integrated with remote sensing data. The parallel GeoFEST application has been successfully run on over a half-dozen computers, including Intel Xeon clusters, Itanium II and Altix machines, and the Apple G5 cluster. It is not separately optimized for different machines, but relies on good domain partitioning for load-balance and low communication, and careful writing of the parallel diagonally preconditioned conjugate gradient solver to keep communication overhead low. Demonstrated thousand-step solutions for over a million finite elements on 64 processors require under three hours, and scaling tests show high efficiency when using more than (order of) 4000 elements per processor. The source code and documentation for GeoFEST is available at no cost from Open Channel Foundation. In addition GeoFEST may be used through a browser-based portal environment available to approved users. That environment includes semi-automated geometry creation and mesh generation tools, GeoFEST, and RIVA-based visualization tools that include the ability to generate a flyover animation showing deformations and topography. Work is in progress to support simulation of a region with several faults using 16 million elements, using a strain energy metric to adapt the mesh to faithfully represent the solution in a region of widely varying strain.

Geophyical Finite Element Simulation Tool (GeoFEST↗

GLUE Code: A framework handling communication and interfaces between scales

Many scientific applications are inherently multiscale in nature. Such complex physical phenomena often require simultaneous execution and coordination of simulations spanning multiple time and length scales. This is possible by combining expensive small-scale simulations (such as molecular dynamics simulations) with larger scale simulations (such continuum limit/hydro solvers) to allow for considerably larger systems using task and data parallelism. However, the granularity of the tasks can be very large and often leads to load imbalance. Traditionally, we use approximations to streamline the computation of the more costly interactions and this introduces trade-offs between simulation cost and accuracy. In recent years, the available computational power and the advances in machine learning have made computing these scale-bridging interactions and multiscale simulations more feasible. One driving application has been plasma modeling in inertial confinement fusion (ICF), which is fundamentally multiscale in nature. This requires deep understanding of how to extrapolate microscopic information into macroscopically relevant scales. For example, in ICF one needs an accurate understanding of the connection between experimental observables and the underlying microphysics. The properties of the larger scales are often affected by the microscale behavior incorporated usually into the equations of state and ionic and electronic transport coefficients (Liboff, 1959; Rinderknecht et al., 2014; Rosenberg et al., 2015; Ross et al., 2017). Instead of incorporating this information using reliable molecular dynamics (MD) simulations, one often needs to use theoretical models, due to the inability of MD to reach engineering scales (Glosli et al., 2007; Marinak et al., 1998). One approach to resolve this issue is by coupling two MD simulations of different scales via force interpolation, e.g., the AdResS method (Krekeler et al., 2018; Nagarajan et al., 2013). Another approach, which we will pursue in the scope of this work, is by enabling scale bridging between MD simulations and meso/macro-scale models through the development and support of application programming interfaces that these different applications can interact through.

54 ENVIRONMENTAL SCIENCES↗

Bidirectional Reflectance of a Macroscopically Flat, High-Albedo Particulate Surface: An Efficient Radiative Transfer Solution and Applications to Regoliths

Many remote sensing applications rely on accurate knowledge of the bidirectional reflection function (BRF) of surfaces composed of discrete, randomly positioned scattering particles. Theoretical computations of BRFs for plane-parallel particulate layers are usually reduced to solving the radiative transfer equation (RTE) using one of existing exact or approximate techniques. Since semi-empirical approximate approaches are notorious for their low accuracy, violation of the energy conservation law, and ability to produce unphysical results, the use of numerically exact solutions of RTE has gained justified popularity. For example, the computation of BRFs for macroscopically flat particulate surfaces in many geophysical publications is based on the adding-doubling (AD) and discrete ordinate (DO) methods. A further saving of computer resources can be achieved by using a more efficient technique to solve the plane-parallel RTE than the AD and DO methods. Since many natural particulate surfaces can be well represented by the model of an optically semi-infinite, homogeneous scattering layer, one can find the BRF directly by solving the Ambartsumian's nonlinear integral equation using a simple iterative technique. In this way, the computation of the internal radiation field is avoided and the computer code becomes highly efficient and very accurate and compact. Furthermore, the BRF thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. In this paper, we discuss numerical aspects and the computer implementation of this technique, examine the applicability of the Henyey-Greenstein phase function and the sigma-Eddington approximation in BRF and flux calculations, and describe sample applications demonstrating the potential effect of particle shape on the bidirectional reflectance of flat regolith surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web, and can be applied to a wide range of remote sensing problems. BRF computations for undulated (macroscopically rough) surfaces are more complicated and often rely on time consuming Monte Carlo procedures. This approach is especially inefficient for optically thick, weakly absorbing media (e.g., snow and desert surfaces at visible wavelengths since a photon may undergo many internal scattering events before it exists the medium or is absorbed. However, undulated surfaces can often be represented as collections of locally flat tilted facets characterized by the BRF found from the traditional plane parallel RTE. In this way the MOnte Carlo procedure could be used only to evaluate the effects of surface shadowing and multiple surface reflections, thereby bypassing the time-consuming ray tracing inside the medium and providing a great savings of CPU time.

Mishchenko, Michael I.↗

NASA Tech Briefs, September 2009

opics covered include: Filtering Water by Use of Ultrasonically Vibrated Nanotubes; Computer Code for Nanostructure Simulation; Functionalizing CNTs for Making Epoxy/CNT Composites; Improvements in Production of Single-Walled Carbon Nanotubes; Progress Toward Sequestering Carbon Nanotubes in PmPV; Two-Stage Variable Sample-Rate Conversion System; Estimating Transmitted-Signal Phase Variations for Uplink Array Antennas; Board Saver for Use with Developmental FPGAs; Circuit for Driving Piezoelectric Transducers; Digital Synchronizer without Metastability; Compact, Low-Overhead, MIL-STD-1553B Controller; Parallel-Processing CMOS Circuitry for M-QAM and 8PSK TCM; Differential InP HEMT MMIC Amplifiers Embedded in Waveguides; Improved Aerogel Vacuum Thermal Insulation; Fluoroester Co-Solvents for Low-Temperature Li+ Cells; Using Volcanic Ash to Remove Dissolved Uranium and Lead; High-Efficiency Artificial Photosynthesis Using a Novel Alkaline Membrane Cell; Silicon Wafer-Scale Substrate for Microshutters and Detector Arrays; Micro-Horn Arrays for Ultrasonic Impedance Matching; Improved Controller for a Three-Axis Piezoelectric Stage; Nano-Pervaporation Membrane with Heat Exchanger Generates Medical-Grade Water; Micro-Organ Devices; Nonlinear Thermal Compensators for WGM Resonators; Dynamic Self-Locking of an OEO Containing a VCSEL; Internal Water Vapor Photoacoustic Calibration; Mid-Infrared Reflectance Imaging of Thermal-Barrier Coatings; Improving the Visible and Infrared Contrast Ratio of Microshutter Arrays; Improved Scanners for Microscopic Hyperspectral Imaging; Rate-Compatible LDPC Codes with Linear Minimum Distance; PrimeSupplier Cross-Program Impact Analysis and Supplier Stability Indicator Simulation Model; Integrated Planning for Telepresence With Time Delays; Minimizing Input-to-Output Latency in Virtual Environment; Battery Cell Voltage Sensing and Balancing Using Addressable Transformers; Gaussian and Lognormal Models of Hurricane Gust Factors; Simulation of Attitude and Trajectory Dynamics and Control of Multiple Spacecraft; Integrated Modeling of Spacecraft Touch-and-Go Sampling; Spacecraft Station-Keeping Trajectory and Mission Design Tools; Efficient Model-Based Diagnosis Engine; and DSN Simulator.

Source record↗

Investigation into Scalable and Detection-Enhanced Satellite Conjunction Assessment

Imaging opportunities (viewable conjunctions) of Resident Space Objects (RSOs) by satellites are not continuously discovered. We propose to continuously produce and report viewable conjunctions among objects in orbit. Viewable conjunctions are events in space and time when a satellite may favorably view a Resident Space Object (RSO). Favorability is defined by a set of constraints, e.g., solar illumination, distance between observer and target, orbital location for viewable event. Computing viewable conjunctions requires calculation of orbital propagation while considering constraints based on the state vectors of position, velocity, with covariance for both satellite and RSO. We propose two parallel lanes of effort: acceleration and research. The objective of acceleration is to avoid missed opportunities and reduce latency for satellite maneuver requests through continuous prediction and reporting of viewable conjunctions. The effort will begin by deploying currently available software on dedicated systems and continue with optimizing the code for high performance computing hardware. The research lane aims to expand RSO inspection and modeling capabilities. Among our current research ideas are spectral characterization of RSO materials and planning multiple observations to recover RSO 3D form. Computing resources at Oak Ridge National Laboratory (ORNL) are available for the acceleration work. Laika, Maxar conjunction prediction dashboard software, and Bluesim, Maxar orbital propagation software, are expected to be the first software in the acceleration lane. Laike and Bluesim are to be provided by the sponsor, and output will be made accessible through its dashboard. Deliverables will follow a gated schedule to the sponsor. ORNL will provide progressively more robust viewable conjunction assessments from both modelled and actual ephemerides.

97 MATHEMATICS AND COMPUTING↗