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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 37 records · Page 2

Q-IRIS: The Evolution of the IRIS Task-Based Runtime to Enable Classical-Quantum Workflows

Extreme heterogeneity in emerging HPC systems are starting to include quantum accelerators, motivating runtimes that can coordinate between classical and quantum workloads. We present a proof-of-concept hybrid execution framework integrating the IRIS asynchronous task-based runtime with the XACC quantum programming framework via the Quantum Intermediate Representation Execution Engine (QIR-EE). IRIS orchestrates multiple programs written in the quantum intermediate representation (QIR) across heterogeneous backends (including multiple quantum simulators), enabling concurrent execution of classical and quantum tasks. Although not a performance study, we report measurable outcomes through the successful asynchronous scheduling and execution of multiple quantum workloads. To illustrate practical runtime implications, we decompose a four-qubit circuit into smaller subcircuits through a process known as quantum circuit cutting, reducing per-task quantum simulation load and demonstrating how task granularity can improve simulator throughput and reduce queueing behavior -- effects directly relevant to early quantum hardware environments. We conclude by outlining key challenges for scaling hybrid runtimes, including coordinated scheduling, classical-quantum interaction management, and support for diverse backend resources in heterogeneous systems.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗

Toward a Systematic Approach for Selection of NASA Technology Portfolios

There is an important need for a consistent analytical foundation supporting the selection and monitoring of R&D tasks that support new system concepts that enable future NASA missions. This capability should be applicable at various degrees of abstraction, depending upon whether one is interested in formulation, development, or operations. It should also be applicable to a single project, a program comprised of a group of projects, an enterprise typically including multiple programs, and the overall agency itself. Emphasis here is on technology selection and new initiatives, but the same approach can be generalized to other applications, dealing, for example, with new system architectures, risk reduction, and task allocation among humans and machines. The purpose of this paper is to describe one such approach, which is in its early stages of implementation within NASA programs, and to discuss several illustrative examples.

return on investment↗

Lapin Data Interchange Among Database, Analysis and Display Programs Using XML-Based Text Files

The purpose was to investigate and evaluate the interchange of application- specific data among multiple programs each carrying out part of the analysis and design task. This has been carried out previously by creating a custom program to read data produced by one application and then write that data to a file whose format is specific to the second application that needs all or part of that data. In this investigation, data of interest is described using the XML markup language that allows the data to be stored in a text-string. Software to transform output data of a task into an XML-string and software to read an XML string and extract all or a portion of the data needed for another application is used to link two independent applications together as part of an overall design effort. This approach was initially used with a standard analysis program, Lapin, along with standard applications a standard spreadsheet program, a relational database program, and a conventional dialog and display program to demonstrate the successful sharing of data among independent programs. See Engineering Analysis Using a Web-Based Protocol by J.D. Schoeffler and R.W. Claus, NASA TM-2002-211981, October 2002. Most of the effort beyond that demonstration has been concentrated on the inclusion of more complex display programs. Specifically, a custom-written windowing program organized around dialogs to control the interactions have been combined with an independent CAD program (Open Cascade) that supports sophisticated display of CAD elements such as lines, spline curves, and surfaces and turbine-blade data produced by an independent blade design program (UD0300).

Source record↗

Space Shuttle utilization characteristics with special emphasis on payload design, economy of operation and effective space exploitation

The reusable manned Space Shuttle has made new and innovative payload planning a reality and opened the door to a variety of payload concepts formerly unavailable in routine space operations. In order to define the payload characteristics and program strategies, current Shuttle-oriented programs are presented: NASA's Space Telescope, the Long Duration Exposure Facility, the West German Shuttle Pallet Satellite, and the Goddard Space Flight Center's Multimission Modular Spacecraft. Commonality of spacecraft design and adaptation for specific mission roles minimizes payload program development and STS integration costs. Commonality of airborne support equipment assures the possibility of multiple program space operations with the Shuttle. On-orbit maintenance and repair was suggested for the module and system levels. Program savings from 13 to over 50% were found obtainable by the Shuttle over expendable launch systems, and savings from 17 to 45% were achievable by introducing reuse into the Shuttle-oriented programs.

Turner, D. N.↗

Aggregate Risk Tool for Human Space Flight

This tool utilizes Data fusion capabilities developed from the 2020-2022 Information Fusion (IFDA) IRAD to enhance functionality of a Human Spaceflight (HSF) Aggregate Risk Product developed by the JSC Flight Safety Office. The tool compiles and present risk data from multiple Program and Commercial Provider sources to provide a holistic assessment for Program Managers and Technical Authorities to evaluate residual risk prior to HSF Launches. The aggregation, or coupling of risks from multiple sources (Ex: PRA, variances, anomaly data bases, CRM data, technical review board minutes, Hazard Analysis, etc.) identifies areas of elevated risk in components, systems or mission phases that would otherwise be undetected by non-integrated program risk management tools and possesses. Data is then displayed in an interactive user interface/dashboard that enables users to see potential areas of concern requiring more in-depth analysis.

Patrick M Huckaby↗

Lapin Data Interchange Among Database, Analysis and Display Programs Using XML-Based Text Files

The purpose of grant NCC3-966 was to investigate and evaluate the interchange of application-specific data among multiple programs each carrying out part of the analysis and design task. This has been carried out previously by creating a custom program to read data produced by one application and then write that data to a file whose format is specific to the second application that needs all or part of that data. In this investigation, data of interest is described using the XML markup language that allows the data to be stored in a text-string. Software to transform output data of a task into an XML-string and software to read an XML string and extract all or a portion of the data needed for another application is used to link two independent applications together as part of an overall design effort. This approach was initially used with a standard analysis program, Lapin, along with standard applications a standard spreadsheet program, a relational database program, and a conventional dialog and display program to demonstrate the successful sharing of data among independent programs. Most of the effort beyond that demonstration has been concentrated on the inclusion of more complex display programs. Specifically, a custom-written windowing program organized around dialogs to control the interactions have been combined with an independent CAD program (Open Cascade) that supports sophisticated display of CAD elements such as lines, spline curves, and surfaces and turbine-blade data produced by an independent blade design program (UD0300).

Source record↗

Incorporating Speech Recognition into a Natural User Interface

The Augmented/ Virtual Reality (AVR) Lab has been working to study the applicability of recent virtual and augmented reality hardware and software to KSC operations. This includes the Oculus Rift, HTC Vive, Microsoft HoloLens, and Unity game engine. My project in this lab is to integrate voice recognition and voice commands into an easy to modify system that can be added to an existing portion of a Natural User Interface (NUI). A NUI is an intuitive and simple to use interface incorporating visual, touch, and speech recognition. The inclusion of speech recognition capability will allow users to perform actions or make inquiries using only their voice. The simplicity of needing only to speak to control an on-screen object or enact some digital action means that any user can quickly become accustomed to using this system. Multiple programs were tested for use in a speech command and recognition system. Sphinx4 translates speech to text using a Hidden Markov Model (HMM) based Language Model, an Acoustic Model, and a word Dictionary running on Java. PocketSphinx had similar functionality to Sphinx4 but instead ran on C. However, neither of these programs were ideal as building a Java or C wrapper slowed performance. The most ideal speech recognition system tested was the Unity Engine Grammar Recognizer. A Context Free Grammar (CFG) structure is written in an XML file to specify the structure of phrases and words that will be recognized by Unity Grammar Recognizer. Using Speech Recognition Grammar Specification (SRGS) 1.0 makes modifying the recognized combinations of words and phrases very simple and quick to do. With SRGS 1.0, semantic information can also be added to the XML file, which allows for even more control over how spoken words and phrases are interpreted by Unity. Additionally, using a CFG with SRGS 1.0 produces a Finite State Machine (FSM) functionality limiting the potential for incorrectly heard words or phrases. The purpose of my project was to investigate options for a Speech Recognition System. To that end I attempted to integrate Sphinx4 into a user interface. Sphinx4 had great accuracy and is the only free program able to perform offline speech dictation. However it had a limited dictionary of words that could be recognized, single syllable words were almost impossible for it to hear, and since it ran on Java it could not be integrated into the Unity based NUI. PocketSphinx ran much faster than Sphinx4 which would've made it ideal as a plugin to the Unity NUI, unfortunately creating a C# wrapper for the C code made the program unusable with Unity due to the wrapper slowing code execution and class files becoming unreachable. Unity Grammar Recognizer is the ideal speech recognition interface, it is flexible in recognizing multiple variations of the same command. It is also the most accurate program in recognizing speech due to using an XML grammar to specify speech structure instead of relying solely on a Dictionary and Language model. The Unity Grammar Recognizer will be used with the NUI for these reasons as well as being written in C# which further simplifies the incorporation.

Chapa, Nicholas↗

Assessment and Coordination of EVSE Cybersecurity Standards

Cybersecurity certification programs for Electric Vehicle Supply Equipment (EVSE) are fragmented due to no single certification covering all aspects of the device and additionally the existence of multiple programs and under different levels of regulation. These devices are also confronted by the intricate assembly of product software, firmware, and hardware. Devices contain both logical and physical interfaces. These multifaceted devices have vulnerabilities at many levels and interconnect with other potentially vulnerable systems including the electric vehicle, the cloud where data and payment information are stored, and the electric grid and electric grid equipment including utilities. Of the EVSE certification programs that are found, none are directly for the cybersecurity of EVSE. Many standards are for safety, specifically battery safety, some are cybersecurity standards for other types of equipment and can be modeled for EVSE. In specific, ISA/IEC 62443 is found to be significantly in line with EVSE security needs and will be used in future testing to certify EVSE and help guide the project to demonstrate where gaps exist, where strengths lie in the standard and how this can be used to lead the certification efforts in harmonizing EVSE cybersecurity standards. In addition, there are multiple efforts that are currently seeking to build EVSE standards or revise existing standards to address gaps. This effort is seeking to establish a cybersecurity program for EVSE that will inform customers and help increase the level of security across products and state EVSE procurements to achieve consistency across different jurisdictions.

33 ADVANCED PROPULSION SYSTEMS↗

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the Stability of NASA's Space Launch System with Adaptive Augmenting Control

NASA's baseline Space Launch System (SLS) flight control system (FCS) design includes an adaptive augmenting control (AAC) component that modifies the attitude control system response to provide the classical gain-scheduled control architecture with additional performance and robustness. The NASA Engineering and Safety Center (NESC) teamed with the Space Launch System (SLS) Program to perform a comprehensive assessment of the stability and robustness of the FCS with AAC. This paper provides an overview of the approach, specific analysis techniques, and outcomes that were particularly relevant for the SLS Program. Multiple analysis techniques that specifically target the nonlinear AAC were commissioned as part of this assessment, which was completed outside of the Program's standard design analysis cycle. The following analyses were included, with each technique adding its own valuable insights: Lyapunov-based stability analysis, classical stability analysis with static AAC gain variations, circle criterion-based analysis of the FCS with a time-varying element, time-domain stability margin assessment, Monte Carlo simulations with expanded dispersions, and an extensive set of stressing cases. Several of the completed analyses focused on determining whether the inclusion of AAC introduced risk to the FCS, while others quantified the benefits of the adaptive augmentation.

Tannen S Vanzwieten↗

Integrating Human System Information with the Systems Platform for Aggregating and Relating Capabilities (SPARC)

Within Human Health and Performance, there exists a wealth of human system information that’s used a regular basis in support of NASA human exploration objectives, but the challenge is that all of this information was stored in multiple different locations and organized for specific uses, limiting its effectiveness and straining communication across multiple groups. To address this challenge, our project, the Systems Platform for Aggregating and Relating Capabilities (SPARC) was tasked with developing a new NASA internal web application that aggregates and relates multiple programs’ human system products, such as technical standards, program requirements and verifications, human system risks, research and evidence, and exploration capabilities, into one centralized platform that addresses the needs of human health and performance from multiple different perspectives. Using agile development methodologies, user-experience (UX) driven design principles, data visualization, and a strong emphasis on continuous improvement though consistent stakeholder engagement, the SPARC project released a beta version in less than 4 months, broadly launched version 1.0.0 Agency-wide three months after the beta, and has over 180 users in the first year of development. Our second year of development will see us moving from our initial capabilities to increasingly robust and complex integrations and visualizations, including Directed Acyclical Graphs (DAGs), natural language processing (NLP) for dynamic generation of relationships between the sources of truth, and an expansion into hierarchical levels of system design in support of the human exploration programs.

Data science↗

Program Classifies Multiple-Frequency Polarimetric SAR Data

POLMAP computer program classifies multifrequency, polarimetric synthetic-aperture-radar (SAR) data into homogeneous classes of radar back-scatter. Software implements maximum-a-posteriori classification scheme. Performs by use of simulated-annealing procedure, takes much longer to compute than ICM solution, but it maximizes posteriori distribution of classes for whole scene. Input statistics of image classes must be created by some independent means, and supplied as input to POLMAP. Used as input to image processing application program. Written in FORTRAN 77.

Rignot, Eric↗

A scalable parallel algorithm for multiple objective linear programs

This paper presents an ADBASE-based parallel algorithm for solving multiple objective linear programs (MOLP's). Job balance, speedup and scalability are of primary interest in evaluating efficiency of the new algorithm. Implementation results on Intel iPSC/2 and Paragon multiprocessors show that the algorithm significantly speeds up the process of solving MOLP's, which is understood as generating all or some efficient extreme points and unbounded efficient edges. The algorithm gives specially good results for large and very large problems. Motivation and justification for solving such large MOLP's are also included.

Wiecek, Malgorzata M.↗

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗

TeraChem protocol buffers ( TCPB ): Accelerating QM and QM/MM simulations with a client–server model

The routine use of electronic structures in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. Here, we describe how the graphics processing unit (GPU) accelerated electronic structure program TeraChem can be set up as an electronic structure server, to be easily accessed by third-party client programs. We exploit Google’s protocol buffer framework for data serialization and communication. The client interface, called TeraChem protocol buffers (TCPB), has been designed for ease of use and compatibility with multiple programming languages, such as C++, Fortran, and Python. To demonstrate the ease of coupling third-party programs with electronic structures using TCPB, we have incorporated the TCPB client into Amber for quantum mechanics/molecular mechanics (QM/MM) simulations. The TCPB interface saves time with GPU initialization and I/O operations, achieving a speedup of more than 2× compared to a prior file-based implementation for a QM region with ~250 basis functions. We demonstrate the practical application of TCPB by computing the free energy profile of p-hydroxybenzylidene-2,3-dimethylimidazolinone (p-HBDI - )—a model chromophore in green fluorescent proteins—on the first excited singlet state using Hamiltonian replica exchange for enhanced sampling. All calculations in this work have been performed with the non-commercial freely-available version of TeraChem, which is sufficient for many QM region sizes in common use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Design and Evaluation of "CAPTools"--A Computer Aided Parallelization Toolkit

Writing applications for high performance computers is a challenging task. Although writing code by hand still offers the best performance, it is extremely costly and often not very portable. The Computer Aided Parallelization Tools (CAPTools) are a toolkit designed to help automate the mapping of sequential FORTRAN scientific applications onto multiprocessors. CAPTools consists of the following major components: an inter-procedural dependence analysis module that incorporates user knowledge; a 'self-propagating' data partitioning module driven via user guidance; an execution control mask generation and optimization module for the user to fine tune parallel processing of individual partitions; a program transformation/restructuring facility for source code clean up and optimization; a set of browsers through which the user interacts with CAPTools at each stage of the parallelization process; and a code generator supporting multiple programming paradigms on various multiprocessors. Besides describing the rationale behind the architecture of CAPTools, the parallelization process is illustrated via case studies involving structured and unstructured meshes. The programming process and the performance of the generated parallel programs are compared against other programming alternatives based on the NAS Parallel Benchmarks, ARC3D and other scientific applications. Based on these results, a discussion on the feasibility of constructing architectural independent parallel applications is presented.

Yan, Jerry↗