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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29

NCSTRL+: Adding Multi-Discipline and Multi-Genre Support to the Dienst Protocol Using Clusters and Buckets

We describe NCSTRL+, a unified, canonical digital library for scientific and technical information (STI). NCSTRL+ is based on the Networked Computer Science Technical Report Library (NCSTRL), a World Wide Web (WWW) accessible digital library (DL) that provides access to over 100 university departments and laboratories. NCSTRL+ implements two new technologies: cluster functionality and publishing buckets. We have extended Dienst, the protocol underlying NCSTRL, to provide the ability to cluster independent collections into a logically centralized digital library based upon subject category classification, type of organization, and genres of material. The bucket construct provides a mechanism for publishing and managing logically linked entities with multiple data forms as a single object. The NCSTRL+ prototype DL contains the holdings of NCSTRL and the NASA Technical Report Server (NTRS). The prototype demonstrates the feasibility of publishing into a multi-cluster DL, searching across clusters, and storing and presenting buckets of information.

Nelson, Michael L.↗

Evolution of Scientific and Technical Information Distribution

World Wide Web (WWW) and related information technologies are transforming the distribution of scientific and technical information (STI). We examine 11 recent, functioning digital libraries focusing on the distribution of STI publications, including journal articles, conference papers, and technical reports. We introduce 4 main categories of digital library projects: based on the architecture (distributed vs. centralized) and the contributor (traditional publisher vs. authoring individual/organization). Many digital library prototypes merely automate existing publishing practices or focus solely on the digitization of the publishing cycle output, not sampling and capturing elements of the input. Still others do not consider for distribution the large body of "gray literature." We address these deficiencies in the current model of STI exchange by suggesting methods for expanding the scope and target of digital libraries by focusing on a greater source of technical publications and using "buckets," an object-oriented construct for grouping logically related information objects, to include holdings other than technical publications.

Esler, Sandra↗

Flightspeed Integral Image Analysis Toolkit

The Flightspeed Integral Image Analysis Toolkit (FIIAT) is a C library that provides image analysis functions in a single, portable package. It provides basic low-level filtering, texture analysis, and subwindow descriptor for applications dealing with image interpretation and object recognition. Designed with spaceflight in mind, it addresses: Ease of integration (minimal external dependencies) Fast, real-time operation using integer arithmetic where possible (useful for platforms lacking a dedicated floatingpoint processor) Written entirely in C (easily modified) Mostly static memory allocation 8-bit image data The basic goal of the FIIAT library is to compute meaningful numerical descriptors for images or rectangular image regions. These n-vectors can then be used directly for novelty detection or pattern recognition, or as a feature space for higher-level pattern recognition tasks. The library provides routines for leveraging training data to derive descriptors that are most useful for a specific data set. Its runtime algorithms exploit a structure known as the "integral image." This is a caching method that permits fast summation of values within rectangular regions of an image. This integral frame facilitates a wide range of fast image-processing functions. This toolkit has applicability to a wide range of autonomous image analysis tasks in the space-flight domain, including novelty detection, object and scene classification, target detection for autonomous instrument placement, and science analysis of geomorphology. It makes real-time texture and pattern recognition possible for platforms with severe computational restraints. The software provides an order of magnitude speed increase over alternative software libraries currently in use by the research community. FIIAT can commercially support intelligent video cameras used in intelligent surveillance. It is also useful for object recognition by robots or other autonomous vehicles

Thompson, David R.↗

Java Image I/O for VICAR, PDS, and ISIS

This library, written in Java, supports input and output of images and metadata (labels) in the VICAR, PDS image, and ISIS-2 and ISIS-3 file formats. Three levels of access exist. The first level comprises the low-level, direct access to the file. This allows an application to read and write specific image tiles, lines, or pixels and to manipulate the label data directly. This layer is analogous to the C-language "VICAR Run-Time Library" (RTL), which is the image I/O library for the (C/C++/Fortran) VICAR image processing system from JPL MIPL (Multimission Image Processing Lab). This low-level library can also be used to read and write labeled, uncompressed images stored in formats similar to VICAR, such as ISIS-2 and -3, and a subset of PDS (image format). The second level of access involves two codecs based on Java Advanced Imaging (JAI) to provide access to VICAR and PDS images in a file-format-independent manner. JAI is supplied by Sun Microsystems as an extension to desktop Java, and has a number of codecs for formats such as GIF, TIFF, JPEG, etc. Although Sun has deprecated the codec mechanism (replaced by IIO), it is still used in many places. The VICAR and PDS codecs allow any program written using the JAI codec spec to use VICAR or PDS images automatically, with no specific knowledge of the VICAR or PDS formats. Support for metadata (labels) is included, but is format-dependent. The PDS codec, when processing PDS images with an embedded VIAR label ("dual-labeled images," such as used for MER), presents the VICAR label in a new way that is compatible with the VICAR codec. The third level of access involves VICAR, PDS, and ISIS Image I/O plugins. The Java core includes an "Image I/O" (IIO) package that is similar in concept to the JAI codec, but is newer and more capable. Applications written to the IIO specification can use any image format for which a plug-in exists, with no specific knowledge of the format itself.

Deen, Robert G.↗

PVM Wrapper

PVM Wrapper is a software library that makes it possible for code that utilizes the Parallel Virtual Machine (PVM) software library to run using the message-passing interface (MPI) software library, without needing to rewrite the entire code. PVM and MPI are the two most common software libraries used for applications that involve passing of messages among parallel computers. Since about 1996, MPI has been the de facto standard. Codes written when PVM was popular often feature patterns of {"initsend," "pack," "send"} and {"receive," "unpack"} calls. In many cases, these calls are not contiguous and one set of calls may even exist over multiple subroutines. These characteristics make it difficult to obtain equivalent functionality via a single MPI "send" call. Because PVM Wrapper is written to run with MPI- 1.2, some PVM functions are not permitted and must be replaced - a task that requires some programming expertise. The "pvm_spawn" and "pvm_parent" function calls are not replaced, but a programmer can use "mpirun" and knowledge of the ranks of parent and child tasks with supplied macroinstructions to enable execution of codes that use "pvm_spawn" and "pvm_parent."

Katz, Daniel↗

Conceptual Model of Quantities, Units, Dimensions, and Values

JPL collaborated with experts from industry and other organizations to develop a conceptual model of quantities, units, dimensions, and values based on the current work of the ISO 80000 committee revising the International System of Units & Quantities based on the International Vocabulary of Metrology (VIM). By providing support for ISO 80000 in SysML via the International Vocabulary of Metrology (VIM), this conceptual model provides, for the first time, a standard-based approach for addressing issues of unit coherence and dimensional analysis into the practice of systems engineering with SysML-based tools. This conceptual model provides support for two kinds of analyses specified in the International Vocabulary of Metrology (VIM): coherence of units as well as of systems of units, and dimension analysis of systems of quantities. To provide a solid and stable foundation, the model for defining quantities, units, dimensions, and values in SysML is explicitly based on the concepts defined in VIM. At the same time, the model library is designed in such a way that extensions to the ISQ (International System of Quantities) and SI Units (Systeme International d Unites) can be represented, as well as any alternative systems of quantities and units. The model library can be used to support SysML user models in various ways. A simple approach is to define and document libraries of reusable systems of units and quantities for reuse across multiple projects, and to link units and quantity kinds from these libraries to Unit and QuantityKind stereotypes defined in SysML user models.

Rouquette, Nicolas F.↗

Orbiter/External Tank Mate 3-D Solid Modeling

This research and development project presents an overview of the work completed while attending a summer 2004 American Society of Engineering Education/National Aeronautics and Space Administration (ASEE/NASA) Faculty Fellowship. This fellowship was completed at the Kennedy Space Center, Florida. The scope of the project was to complete parts, assemblies, and drawings that could be used by Ground Support Equipment (GSE) personnel to simulate situations and scenarios commonplace to the space shuttle Orbiter/External Tank (ET) Mate (50004). This mate takes place in the Vehicle Assembly Building (VAB). These simulations could then be used by NASA engineers as decision-making tools. During the summer of 2004, parts were created that defined the Orbiter/ET structural interfaces. Emphasis was placed upon assemblies that included the Orbiter/ET forward attachment (EO-1), aft left thrust strut (EO-2), aft right tripod support structure (EO-3), and crossbeam and aft feedline/umbilical supports. These assemblies are used to attach the Orbiter to the ET. The Orbiter/ET Mate assembly was then used to compare and analyze clearance distances using different Orbiter hang angles. It was found that a 30-minute arc angle change in Orbiter hang angle affected distance at the bipod strut to Orbiter yoke fitting 8.11 inches. A 3-D solid model library was established as a result of this project. This library contains parts, assemblies, and drawings translated into several formats. This library contains a collection of the following files: sti for sterolithography, stp for neutral file work, shrinkwrap for compression. tiff for photoshop work, jpeg for Internet use, and prt and asm for Pro/Engineer use. This library was made available to NASA engineers so that they could access its contents to make angle, load, and clearance analysis studies. These decision-making tools may be used by Pro/Engineer users and non-users.

Godfrey, G. S.↗

Simscape Modeling of a Custom Closed-Volume Tank

The library for Mathworks Simscape does not currently contain a model for a closed volume fluid tank where the ullage pressure is variable. In order to model a closed-volume variable ullage pressure tank, it was necessary to consider at least two separate cases: a vertical cylinder, and a sphere. Using library components, it was possible to construct a rough model for the cylindrical tank. It was not possible to construct a model for a spherical tank, using library components, due to the variable area. It was decided that, for these cases, it would be preferable to create a custom library component to represent each case, using the Simscape language. Once completed, the components were added to models, where filling and draining the tanks could be simulated. When the models were performing as expected, it was necessary to generate code from the models and run them in Trick (a real-time simulation program). The data output from Trick was then compared to the output from Simscape and found to be within acceptable limits.

Simscape↗

System and Method for Providing a Climate Data Analytic Services Application Programming Interface

A system, method and computer-readable storage devices for providing a climate data analytic services application programming interface. The system includes a programming library that enables client device software to invoke the capabilities of a climate data analytics system through requests to various services supported by the climate data analytics system, and also includes a client-side communications interface that enables the programming library's methods to interact with a climate data analytics system's server interface to obtain access to the capabilities of the system. In one implementation, the programming library is implemented in the Python programming language. The programming library can include basic utilities that call a single, server-side method implemented by one of the various services supported by the climate data analytics system, and extended utilities that call a series of basic utilities and/or other extended utilities that have been placed under programmatic control in order to create client-side convenience methods and workflows.

Schnase, John L.↗

A ROS-based Simulator for Testing the Enhanced Autonomous Navigation of the Mars 2020 Rover

In order to achieve the ambitious objectives of the Mars 2020 (M2020) mission, in particular the ability to autonomously traverse more challenging terrains more efficiently, new surface mobility software was developed for Enhanced Navigation (ENav). That decision was made early in the project, before most of the new surface flight software (FSW) existed, which created a need for a separate framework where the new navigation algorithms could be quickly prototyped and tested, before more realistic FSW-based testbeds became available. The JPL robotics team chose the Robot Operating System [1] (ROS) as the environment in which to test the new ENav algorithms. This made it possible to write the algorithms in the C language required by the FSW, so they could be directly ported over to the flight module later on, while leveraging all the C++ libraries and tools provided by ROS for simulation and testing. The ENav algorithms were developed as a separate C library, and stubs were used to replace any FSW-specific code, such as Event Reporting (EVRs) and data products (DPs). A ROS simulator was developed to generate a rich set of varied 3D terrains representative of the candidate Mars landing sites and simulate the physics of the rover motion, the point cloud perceived by the rover’s stereo vision system, and the new thinking-while-driving (TWD) navigation logic which directs the rover to drive autonomously to user-specified waypoints. To simulate the rover motion and perception, a ROS node was developed that uses a software library called HyperDrive Sim (HDSim), which is a wrapper for the Rover Sequencing and Visualization Program [2] (RSVP). That library provides roverterrain settling, realistic slip modelling, and camera rendering capability based on the rover’s NavCam machine vision models. To simulate the navigation logic, a ROS node was created that initializes and runs the ENav algorithms in a way that mimics the FSW execution, while also providing the capability to load and replay data products, including re-running the recorded inputs through the ENav algorithms for testing. An engineering Graphical User Interface (GUI) was also developed to visualize various elements, such as the rover pose during the drive, the simulated and perceived terrain, the selected local and global paths to the goal, the evaluated candidate paths and the reasons why they were rejected, the keep-in and keep-out zones (KIOZs), etc. Finally, an advanced Monte Carlo (MC) framework that can run many simulations in parallel on the Cloud and automatically generate reports that capture the key ENav performance metrics was developed to evaluate the system in a statisticallymeaningful way. This paper provides an overview of the ROSbased simulator used for testing the M2020 ENav algorithms.

Toupet, Olivier↗

autoGEMM: Pushing the Limits of Irregular Matrix Multiplication on Arm Architectures

This paper presents an open-source library that pushes the limits of performance portability for irregular General Matrix Multiplication (GEMM) on the widely-used Arm architectures. Our library, autoGEMM, is designed to support a wide range of Arm processors: from edge devices to HPC-grade CPUs. autoGEMM generates optimized kernels for various hardware configurations by auto-combining fragments of autogenerated micro-kernels that employ hand-written optimizations to maximize computational efficiency. We optimize the kernel pipeline by tuning the register reuse and the data load/store overlapping. In addition, we use a dynamic tiling scheme to generate balanced tile shapes. Finally, we position autoGEMM on top of the TVM framework where our dynamic tiling scheme prunes the search space for TVM to identify the optimal combination of parameters for code optimization. Evaluations on five different classes of Arm chips demonstrate the advantages of autoGEMM. For small matrices, autoGEMM achieves 98% of peak and up to 2.0x speedup over state-of-the-art libraries such as LIBXSMM and LibShalom. For irregular matrices (i.e. tall skinny and long rectangles), autoGEMM is 1.3-2.0x faster than widely-used libraries such as OpenBLAS and Eigen. autoGEMM is publicly available at: https://github.com/wudu98/autoGEMM.

Wu, Du↗

Thermo-Fluid Modeling Framework for Supercomputer Digital Twins: Part 1, Demonstration at Exascale

A thermo-fluid modeling framework is being developed for ExaDigiT---an open-source framework for developing comprehensive digital twins of liquid-cooled supercomputers. The work is being conducted in two parts, and discussion is divided into two companion papers. The work documented in this paper focuses on the development of a cooling system library in Dymola for the Frontier supercomputer at Oak Ridge National Laboratory. The second part, outlined in a companion paper, focuses on a templating structure called Auto-CSM for easily creating model-agnostic, physics-based thermo-fluid cooling system models for liquid-cooled supercomputers using a text-based schema. The cooling model is being developed using primarily the open-source Transient Simulation Framework of Reconfigurable Models (TRANSFORM) library. The library follows the templating architecture developed within the TRANSFORM library for modeling subsystems. A full-system validation was performed to validate a very simple model that is integrated with the system controls, and the results are presented herein.

Kumar, Vineet↗

Nanobody screening and machine learning guided identification of cross-variant anti-SARS-CoV-2 neutralizing heavy-chain only antibodies

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) continues to persist, demonstrating the risks posed by emerging infectious diseases to national security, public health, and the economy. Development of new vaccines and antibodies for emerging viral threats requires substantial resources and time, and traditional development platforms for vaccines and antibodies are often too slow to combat continuously evolving immunological escape variants, reducing their efficacy over time. Previously, we designed a next-generation synthetic humanized nanobody (Nb) phage display library and demonstrated that this library could be used to rapidly identify highly specific and potent neutralizing heavy chain-only antibodies (HCAbs) with prophylactic and therapeutic efficacy in vivo against the original SARS-CoV-2. In this study, we used a combination of high throughput screening and machine learning (ML) models to identify HCAbs with potent efficacy against SARS-CoV-2 viral variants of interest (VOIs) and concern (VOCs). To start, we screened our highly diverse Nb phage display library against several pre-Omicron VOI and VOC receptor binding domains (RBDs) to identify panels of cross-reactive HCAbs. Using HCAb affinity for SARS-CoV-2 VOI and VOCs (pre-Omicron variants) and model features from other published data, we were able to develop a ML model that successfully identified HCAbs with efficacy against Omicron variants, independent of our experimental biopanning workflow. This biopanning informed ML approach reduced the experimental screening burden by 78% to 90% for the Omicron BA.5 and Omicron BA.1 variants, respectively. The combined approach can be applied to other emerging viruses with pandemic potential to rapidly identify effective therapeutic antibodies against emerging variants.

Antibodies↗

A parallel and performance portable implementation of a full-field crystal plasticity model

We have developed a parallel implementation of an Elasto-Viscoplastic Fast Fourier Transform-based (EVPFFT) micromechanical solver to enable computationally efficient crystal plasticity modeling for polycrystalline materials. Our primary focus lies in achieving performance portability, allowing a single EVPFFT implementation to run optimally on various homogeneous architectures, including multi-core Central Processing Units (CPUs), as well as on heterogeneous computer architectures comprising multi-core CPUs and Graphics Processing Units (GPUs) from different vendors. To accomplish this goal, we have leveraged MATAR, a C++ software library that simplifies the creation and utilization of multidimensional dense or sparse matrix and array data structures. These data structures are designed to be portable across diverse architectures through the use of Kokkos, a performance-portable library. Additionally, we have employed the Message Passing Interface (MPI) to efficiently distribute the computational workload among processors. The heFFTe (Highly Efficient FFT for Exascale) library is used to facilitate the performance portability of the fast Fourier transforms (FFTs) computation. The computational performance of EVPFFT is evaluated and presented in terms of parallel scalability and simulation runtime on different high-performance computing (HPC) architectures. As a result, the utility of the developed framework to efficiently simulate the micro-mechanical fields in polycrystalline microstructures in engineering applications is discussed.

36 MATERIALS SCIENCE↗

Development of a River Dynamical Core for E3SM to simulate compound flooding on Exascale-class heterogeneous supercomputers

Flooding events pose significant risk to human life, property, and infrastructure. Physically-consistent quantification of altered flood risks in global models requires hyper-resolution (~1 km) or fine flood simulations using two-dimensional (2D) physics schemes, both of which are unavailable in the current generation Earth System Models. Here, in this work, we have developed the River Dynamical Core (RDycore), which is an open-source, 2D shallow water equation (SWE) library for the U.S. Department of Energy's Energy Exascale Earth System Model (E3SM). RDycore uses PETSc and libCEED libraries that allows it to run efficiently on CPUs and GPUs, as well as select a time-integration algorithm at runtime without requiring any code modifications. RDycore achieves spatial error convergence rates for problems with analytical and manufactured solutions similar to those reported previously in the literature, or consistent with the implemented first-order spatial discretization scheme. RDycore's accuracy in predicting flooding for a well-studied dam break problem is comparable to existing SWE models. For a problem with 471 million grid cells, RDycore achieves a speedup of 6.6x and 7.6x on GPUs compared to CPUs when using 320 compute nodes on DOE's Perlmutter and Frontier supercomputers, respectively. The one-way coupling of the RDycore library within E3SM is demonstrated by performing multiple 5-day flooding simulations during Hurricane Harvey driven by five precipitation datasets. The E3SM--RDycore simulations at 30 m spatial resolution accurately simulate maximum water height during the hurricane when benchmarked against a previously published study and achieve a speedup of 15x (Perlmutter) and 21x (Frontier) on GPUs relative to CPUs. The work presented here is the foundational step in providing hardware and algorithmic portability framework for simulating kilometer-scale river dynamics within E3SM.

Flood Simulation↗

Self-supervised and multi-fidelity learning for extended predictive soil spectroscopy

Infrared spectroscopy is a cost-effective, non-destructive, and environmentally benign technology that is increasingly recognized as an important solution for meeting the global demand for soil data. While both near-infrared (NIR) and mid-infrared (MIR) diffuse reflectance spectroscopy enable rapid estimation of soil properties, they present a significant trade-off: NIR offers superior scalability and lower operational costs, whereas MIR provides higher analytical fidelity by capturing fundamental molecular vibrations. In this study, we propose a self-supervised, multi-fidelity learning framework designed to bridge this gap. Our approach leverages large-scale MIR spectral libraries to learn a compact, transferable latent representation, into which NIR spectra are subsequently aligned for downstream prediction. The workflow consists of pretraining a latent model on a large MIR library, adapting the representation using a smaller paired NIR–MIR dataset, and evaluating generalization on an independent external test set. Across a range of chemical and physical soil properties, we found that MIR-derived embeddings improved prediction accuracy relative to baseline models that used raw MIR inputs. Predictions derived from the spectrum conversion (NIR to MIR) task did not match the performance of the original MIR spectra but were similar or superior to predictive performance of NIR-only models, suggesting the unified spectral latent space can effectively leverage the larger and more diverse MIR dataset for prediction of soil properties not well represented in current NIR libraries.

54 ENVIRONMENTAL SCIENCES↗

A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part I: Lagrangian and indirect Euler AMR algorithms

Many applications of physics and engineering involve wide ranges of time and spatial scales. The numerical simulation of localized small scales such as shock waves and material interfaces requires a large number of computational cells in these regions. For these applications, Lagrangian and Arbitrary-Lagrangian-Eulerian (ALE) related methods are engaging since the moving mesh feature naturally brings mesh cells on shock discontinuities and material interfaces are carefully captured. In addition, Adaptive-Mesh-Refinement (AMR) strategies aim to optimize computational resources by concentrating finer mesh cells only in areas of interest while using coarser cells elsewhere. A key but challenging AMR requirement consists in efficiently distributing the computational effort to achieve high accuracy without the prohibitive computational costs associated with uniformly fine grids. Here, in this document, the coupling of the p4est AMR library with a cell-centered Lagrangian scheme is presented with the goal to perform reliable 3D Lagrangian-AMR and indirect Euler-AMR multi-material simulations. In particular, it is shown that starting from a 3D indirect ALE code, the memory management and load balancing requirements can be delegated to an external library (here the p4est library) to unlock ALE-AMR capabilities. First, we present a strategy to transcribe the octant-based connectivity of the 3D AMR framework with that of an unstructured mesh of polygonal cells used in Lagrangian hydrodynamics. Then, we show how refinement and coarsening operations must be adapted to the particular Lagrangian framework to ensure the conservation of volume during those steps. Finally, several numerical test cases are presented that demonstrate the capabilities of the Lagrangian-AMR and indirect Euler-AMR algorithms.

3D cell-centered Lagrangian numerical scheme↗

Advancing the Prediction of MS/MS Spectra Using Machine Learning

Tandem mass spectrometry (MS/MS) is an important tool for the identification of small molecules and metabolites where resultant spectra are most commonly identified by matching them with spectra in MS/MS reference libraries. While popular, this strategy is limited by the contents of existing reference libraries. In response to this limitation, various methods are being developed for the in silico generation of spectra to augment existing libraries. Recently, machine learning and deep learning techniques have been applied to predict spectra with greater speed and accuracy. Here, in this work, we investigate the challenges these algorithms face in achieving fast and accurate predictions on a wide range of small molecules. The challenges are often amplified by the use of generic machine learning benchmarking tactics, which lead to misleading accuracy scores. Curating data sets, only predicting spectra for sufficiently high collision energies, and working more closely with experimental mass spectrometrists are recommended strategies to improve overall prediction accuracy in this nuanced field.

47 OTHER INSTRUMENTATION↗