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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

ChatHPC: Building the Foundations for a Productive and Trustworthy AI-Assisted HPC Ecosystem

ChatHPC democratizes large language models for the high-performance computing (HPC) community by providing the infrastructure, ecosystem, and knowledge needed to apply modern generative AI technologies to rapidly create specific capabilities for critical HPC components while using relatively modest computational resources. Our divide-and-conquer approach focuses on creating a collection of reliable, highly specialized, and optimized AI assistants for HPC based on the cost-effective and fast Code Llama fine-tuning processes and expert supervision. We target major components of the HPC software stack, including programming models, runtimes, I/O, tooling, and math libraries. Thanks to AI, ChatHPC provides a more productive HPC ecosystem by boosting important tasks related to portability, parallelization, optimization, scalability, and instrumentation, among others. With relatively small datasets (on the order of KB), the AI assistants, which are created in a few minutes by using one node with two NVIDIA H100 GPUs and the ChatHPC library, can create new capabilities with Meta’s 7-billion parameter Code Llama base model to produce high-quality software with a level of trustworthiness of up to 90% higher than the 1.8-trillion parameter OpenAI ChatGPT-4o model for critical programming tasks in the HPC software stack.

Young, Aaron [ORNL] (ORCID:0000000254484667)↗
DOE OSTI2022

Electricity Bill Calculator (elecprice) v0.1.0

The Electricity Bill Calculator Library is a generic tool for manipulating the tariffs of electricity, with an emphasis on commercial Time-Of-Use (TOU) rates in the U.S. and residential Net Energy Metering tariffs in CA. Typical uses of the package are price signal generation and bill computation. To generate price signals from a specific tariff and given a time window, the tool creates a pandas dataframes containing the various components of the electricity charges, at each time step. This is particularly useful for Demand Response (DR) applications, such as price-based optimization of energy in buildings. The tool also computes bills given a building's power consumption and a specific tariff and returning the corresponding cost of electricity, as well as a breakdown per type of rate.

Prakash, Anand Krishnan↗
DOE OSTI2020

Explainable Artificial Intelligence Recommendation System by Leveraging the Semantics of Adverse Childhood Experiences: Proof-of-Concept Prototype Development

The study of adverse childhood experiences and their consequences has emerged over the past 20 years. Although the conclusions from these studies are available, the same is not true of the data. Accordingly, it is a complex problem to build a training set and develop machine-learning models from these studies. Classic machine learning and artificial intelligence techniques cannot provide a full scientific understanding of the inner workings of the underlying models. This raises credibility issues due to the lack of transparency and generalizability. Explainable artificial intelligence is an emerging approach for promoting credibility, accountability, and trust in mission-critical areas such as medicine by combining machine-learning approaches with explanatory techniques that explicitly show what the decision criteria are and why (or how) they have been established. Hence, thinking about how machine learning could benefit from knowledge graphs that combine “common sense” knowledge as well as semantic reasoning and causality models is a potential solution to this problem. In this study, we aimed to leverage explainable artificial intelligence, and propose a proof-of-concept prototype for a knowledge-driven evidence-based recommendation system to improve mental health surveillance. We used concepts from an ontology that we have developed to build and train a question-answering agent using the Google DialogFlow engine. In addition to the question-answering agent, the initial prototype includes knowledge graph generation and recommendation components that leverage third-party graph technology. To showcase the framework functionalities, we here present a prototype design and demonstrate the main features through four use case scenarios motivated by an initiative currently implemented at a children’s hospital in Memphis, Tennessee. Ongoing development of the prototype requires implementing an optimization algorithm of the recommendations, incorporating a privacy layer through a personal health library, and conducting a clinical trial to assess both usability and usefulness of the implementation. This semantic-driven explainable artificial intelligence prototype can enhance health care practitioners’ ability to provide explanations for the decisions they make.

adverse childhood experiences↗
NASA NTRS2016

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

A system, method and computer-readable storage devices for providing a climate data analytic services application programming interface distribution package. The example system can provide various components. The system provides a climate data analytic services application programming interface library that enables software applications running on a client device to invoke the capabilities of a climate data analytic service. The system provides a command-line interface that provides a means of interacting with a climate data analytic service by issuing commands directly to the system's server interface. The system provides sample programs that call on the capabilities of the application programming interface library and can be used as templates for the construction of new client applications. The system can also provide test utilities, build utilities, service integration utilities, and documentation.

Schnase, John L.↗
DOE OSTI2023

Generalizing mkFit and its Application to HL-LHC

mkFit is an implementation of the Kalman filter-based track reconstruction algorithm that exploits both thread- and data-level parallelism. In the past few years the project transitioned from the R&D phase to deployment in the Run-3 offline workflow of the CMS experiment. The CMS tracking performs a series of iterations, targeting reconstruction of tracks of increasing difficulty after removing hits associated to tracks found in previous iterations. mkFit has been adopted for several of the tracking iterations, which contribute to the majority of reconstructed tracks. When tested in the standard conditions for production jobs, speedups in track pattern recognition are on average of the order of 3.5x for the iterations where it is used (3-7x depending on the iteration). Multiple factors contribute to the observed speedups, including vectorization and a lightweight geometry description, as well as improved memory management and single precision. Efficient vectorization is achieved with both the icc and the gcc (default in CMSSW) compilers and relies on a dedicated library for small matrix operations, Matriplex, which has recently been released in a public repository. While the mkFit geometry description already featured levels of abstraction from the actual Phase-1 CMS tracker, several components of the implementations were still tied to that specific geometry. We have further generalized the geometry description and the configuration of the run-time parameters, in order to enable support for the Phase-2 upgraded tracker geometry for the HL-LHC and potentially other detector configurations. The implementation strategy and high-level code changes required for the HL-LHC geometry are presented. Speedups in track building from mkFit imply that track fitting becomes a comparably time consuming step of the tracking chain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2003

Aviation Safety Modeling and Simulation (ASMM) Propulsion Fleet Modeling: A Tool for Semi-Automatic Construction of CORBA-based Applications from Legacy Fortran Programs

Within NASA's Aviation Safety Program, NASA GRC participates in the Modeling and Simulation Project called ASMM. NASA GRC s focus is to characterize the propulsion systems performance from a fleet management and maintenance perspective by modeling and through simulation predict the characteristics of two classes of commercial engines (CFM56 and GE90). In prior years, the High Performance Computing and Communication (HPCC) program funded, NASA Glenn in developing a large scale, detailed simulations for the analysis and design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). Three major aspects of this modeling included the integration of different engine components, coupling of multiple disciplines, and engine component zooming at appropriate level fidelity, require relatively tight coupling of different analysis codes. Most of these codes in aerodynamics and solid mechanics are written in Fortran. Refitting these legacy Fortran codes with distributed objects can increase these codes reusability. Aviation Safety s modeling and simulation use in characterizing fleet management has similar needs. The modeling and simulation of these propulsion systems use existing Fortran and C codes that are instrumental in determining the performance of the fleet. The research centers on building a CORBA-based development environment for programmers to easily wrap and couple legacy Fortran codes. This environment consists of a C++ wrapper library to hide the details of CORBA and an efficient remote variable scheme to facilitate data exchange between the client and the server model. Additionally, a Web Service model should also be constructed for evaluation of this technology s use over the next two- three years.

Sang, Janche↗
DOE OSTI2018

Spring Boot based REST API to Improve Data Quality Report Generation for Big Scientific Data: ARM Data Center Example

Web application technologies are growing rapidly with continuous innovation and improvements. This paper focuses on the popular Spring Boot [1] java-based framework for building web and enterprise applications and how it provides the flexibility for service-oriented architecture (SOA). One challenge with any Spring-based applications is its level of complexity with configurations. Spring Boot makes it easy to create and deploy stand-alone, production-grade Spring applications with very little Spring configuration. Example, if we consider Spring Model-View-Controller (MVC) framework [2], we need to configure dispatcher servlet, web jars, a view resolver, and component scan among other things. To solve this, Spring Boot provides several Auto Configuration options to setup the application with any needed dependencies. Another challenge is to identify the framework dependencies and associated library versions required to develop a web application. Spring Boot offers simpler dependency management by using a comprehensive, but flexible, framework and the associated libraries in one single dependency, which provides all the Spring related technology that you need for starter projects as compared to CRUD web applications. This framework provides a range of additional features that are common across many projects such as embedded server, security, metrics, health checks, and externalized configuration. Web applications are generally packaged as war and deployed to a web server, but Spring Boot application can be packaged either as war or jar file, which allows to run the application without the need to install and/or configure on the application server. In this paper, we discuss how Atmospheric Radiation Measurement (ARM) Data Center (ADC) at Oak Ridge National Laboratory, is using Spring Boot to create a SOA based REST [4] service API, that bridges the gap between frontend user interfaces and backend database. Using this REST service API, ARM scientists are now able to submit reports via a user form or a command line interface, which captures the same data quality or other important information about ARM data.

Guntupally, Kavya↗
DOE OSTI2021

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗
DOE OSTI2025

LAROMance Grade 91 Model Integration in NEML2

New reactor designs are targeting higher operating temperatures for increased thermal efficiency when compared to the current fleet of light water reactors. Designing structural components for these high temperature environments with reliable long-term operations requires material models that can accurately capture the deformation mechanisms active in these environments. The LAROMance surrogate material models are based on a database of mechanistic crystal plasticity simulations for high-temperature conditions. Inputs to the LAROMance models reflect the microstructural pedigree of the material, like dislocation densities and precipitate contents. Based on the evolution of these microstructural features, the LAROMance model provides the engineering scale constitutive model response. The LAROMance model was recently parameterized for Grade 91, a high temperature alloy. In the present work, the Grade 91 LAROMance model is implemented in the New Material Model Library, version 2 (NEML2). NEML2 provides a modular way to build material models from smaller blocks and was developed to vectorize the material update to efficiently run on modern computational architectures with graphics processing unit accelerators. NEML2 constitutive models can be used in simulations based on the multiphysics object-oriented simulation environment (MOOSE). This report provides details on the implementation of the Grade 91 LAROMance model in NEML2 and its verification of engineering scale finite element simulations in MOOSE.

42 - ENGINEERING↗
DOE OSTI2024

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗
DOE OSTI2023

Validation and Verification of TEDS Facility HYBRID Modeling

The HYBRID modeling repository is an in-house developed library of models for selected integrated energy systems (IES) modelling. HYBRID models have been developed since 2015 to describe the physical operation of tightly coupled thermal systems including power generators, thermal transport systems, thermal storage, thermal-to-electric conversion systems, and other thermal applications. Here, validation and verification (V&V) capabilities are demonstrated using the Thermal Energy Distribution System (TEDS) at INL. Building upon prior work, the TEDS model has been updated and verified so that it better represents the installed system configuration and the operating control system. The model control system was changed to allow replication of actual experimental procedures. Experimental operations focusing primarily on thermocline tank performance were devised and performed. Several anomalies were found in the operation data of the experiment facility. V&V activities calibrating a selected input parameter are demonstrated on a single component as well as with a single parameter within the thermocline. Calibrating is then demonstrated on multiple components and a multi-parameter metric for the entire system. The validation methodology is successfully applied to validate the model with experimental data. It is also used to confirm a hypothesis behind one of the anomalies in experimental performance.

25 ENERGY STORAGE↗
DOE OSTI2019

Experimental data based combinatorial kinetic simulations for predictions of synergistic catalyst mixtures

Physical mixtures of catalysts can sometimes show synergistic activity which exceeds the sum of the activities of the same amount of catalysts employed separately. However, identifying such synergistic mixtures is non-trivial. Not all mixtures display synergy, and the number of combinations that are possible (even for binary mixtures of equal portions) scales very rapidly, and thus they would be costly to screen experimentally. In this work, we show that it is possible to predict synergistic mixtures using combinatorial kinetic simulations based on experimental data collected on individual catalysts. The data was first collected for conditions-of-interest under low conversions (also called near differential conditions, such that each condition approximates a small volume in a non-differential conditions reactor) to build a library of kinetic models (one model for each catalyst). This data was then used for combinatorial kinetic simulations of non-differential reactor scale conversions, and successfully predicted the qualitative behavior of two synergistic physical mixtures. The capability was utilized in the present work in the context of converting CO, C 3 H 6 , and NO species in simulated car exhaust, but is a general approach. We provide equations to estimate the costs of the screening method as well as the combinatorial kinetics method and show that the costs of identifying synergistic physical mixtures become much lower with the combinatorial kinetics method even before ten catalysts of interest. The cost of using prediction by the combinatorial kinetics method continue to become lower (relative to screening) when more catalysts are added -- and even more so if mixtures beyond two components, or consideration of multiple catalyst ratios, is of interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

SHARP Multiphysics Tutorials

SHARP, developed under the NEAMS Reactor Product Line, is an advanced modeling and simulation toolkit for the analysis of advanced nuclear reactors. SHARP is comprised of three physics modules currently including neutronics, thermal hydraulics, and structural mechanics. SHARP empowers designers to produce accurate results for modeling physical phenomena that have been identified as important for nuclear reactor analysis. SHARP can use existing physics codes and take advantage of existing infrastructure capabilities in the MOAB framework and the coupling driver/solver library, the Coupled Physics Environment (CouPE), which utilizes the widely used, scalable PETSc library. This report aims at identifying the coupled-physics simulation capability of SHARP by introducing the demonstration example called sahex in advance of the SHARP release expected by Mar 2016. sahex consists of 6 fuel pins with cladding, 1 control rod, sodium coolant and an outer duct wall that encloses all the other components. This example is carefully chosen to demonstrate the proof of concept for solving more complex demonstration examples such as EBR II assembly and ABTR full core. The workflow of preparing the input files, running the case and analyzing the results is demonstrated in this report. Moreover, an extension of the sahex model called sahex_core, which adds six homogenized neighboring assemblies to the full heterogeneous sahex model, is presented to test homogenization capabilities in both Nek5000 and PROTEUS. Some primary information on the configuration and build aspects for the SHARP toolkit, which includes capability to auto-download dependencies and configure/install with optimal flags in an architecture-aware fashion, is also covered by this report. A step-by-step instruction is provided to help users to create their cases. Details on these processes will be provided in the SHARP user manual that will accompany the first release.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Resources, Training, and Education Under the Heliostat Consortium: Industry Gap Analysis and Building a Resource Database

Concentrating solar power is not a widely deployed or known technology area, and the heliostat workforce community in the United States is currently small, with knowledge and expertise not widely available. The resource, training, and education (RTE) topic within the Heliostat Consortium (HelioCon) was established to address this. RTE encompasses resources, practices, and programs to ensure that (1) newcomers to the heliostat development community have an adequate knowledge base and training to conduct R&D efforts, (2) outsiders to the field are provided with resources and opportunities to join the workforce, and (3) the workforce community is a productive, healthy, and fulfilling environment for all workers. In the first year of the project, a roadmap study was conducted, in which the major gaps in RTE were identified by consulting experts in the industry, with the top gap being the lack of public accessibility to concentrating solar-thermal power (CSP) knowledge. Here, to address this, the HelioCon team has been developing a centralized web-based resource database, containing a reference library, educational videos, lists of components suppliers and software/metrology tools, a power tower plant database, and information on existing standards/guidelines.

14 SOLAR ENERGY↗
NASA NTRS2004

Website of the Systems and Analysis Branch Supported Projects and Graph Analysis

Throughout the past few weeks I have learned a great amount of information about many interesting aspects that go on here at NASA Glenn Research Center Branch 7820. Branch 7820 is the Systems and Analysis Branch. The people involved in this Branch deal with in a nutshell the analysis of propulsion systems for Earth to orbit and space transportation systems. The first project that I had worked on was helping my mentor learn more about lunar geography and the most recommended way to maintain communication for our future lunar missions. During this time I studied the craters of the moon, especially the South Pole, to provide her with information so that she can make decisions. I also researched to provide her with contact information on those people who are specialized in lunar geography so that she may talk to them to find out more in depth information. Most of my time spent here has been helping to develop a comprehensive explanation and background of the different projects our Branch has supported. When I first came to NASA Glenn and started working with the 7820 Branch there website had many holes that needed to be filled in. I have spent numerous weeks researching information about topics such as Project Prometheus itself and one of its components Jupiter s Icy Moons Orbiter (JIMO). I have also done a large amount of research on propulsion systems and how different kinds work. I have learned many facts about Nuclear Electric Propulsion (NEP) all the way to Nuclear Thermal Propulsion (NTP) systems. I will continue to do this until all the holes are filled and find out about Global Integrated Design Environment (GLIDE) and Next Generation Launch technology (NGLT). Since most of my job was providing information to go onto a website I has to learn how to put my information into a HTML format. I had no previous knowledge on how to do that kind of task and had to study how to do it and am now able to create a document in HTML format. There has been reorganizing done here at NASA Glenn and our Branch was moved to another building. Therefore, our library had to be moved with us. I spent time helping to put together the boxes, pack the library, and label them accordingly. This was not an easy task but was an experience in itself. I was able to see old posters that NASA had produced about different space missions and look at Russian map of the US and books on space missions. I was also about to see what was in the library in terms of reference material helped because now I can make use of the information for my research on the website. Throughout my internship my mentor will provide me with graphs to analyze and recreate so that she may use them to her advantage. I will learn from every piece of data that comes my way. Later, I will study and analysis gravity-loss for Earth departure trajectories. Since I haven't done that yet I cannot really describe what 1 will learn or what exactly the project entails. The whole experience has been great and I have no doubt that it will exceed every expectation previously thought.

Kellerman, Corinne↗
NASA NTRS2001

Adjustable Autonomy Testbed

The Adjustable Autonomy Testbed (AAT) is a simulation-based testbed located in the Intelligent Systems Laboratory in the Automation, Robotics and Simulation Division at NASA Johnson Space Center. The purpose of the testbed is to support evaluation and validation of prototypes of adjustable autonomous agent software for control and fault management for complex systems. The AA T project has developed prototype adjustable autonomous agent software and human interfaces for cooperative fault management. This software builds on current autonomous agent technology by altering the architecture, components and interfaces for effective teamwork between autonomous systems and human experts. Autonomous agents include a planner, flexible executive, low level control and deductive model-based fault isolation. Adjustable autonomy is intended to increase the flexibility and effectiveness of fault management with an autonomous system. The test domain for this work is control of advanced life support systems for habitats for planetary exploration. The CONFIG hybrid discrete event simulation environment provides flexible and dynamically reconfigurable models of the behavior of components and fluids in the life support systems. Both discrete event and continuous (discrete time) simulation are supported, and flows and pressures are computed globally. This provides fast dynamic simulations of interacting hardware systems in closed loops that can be reconfigured during operations scenarios, producing complex cascading effects of operations and failures. Current object-oriented model libraries support modeling of fluid systems, and models have been developed of physico-chemical and biological subsystems for processing advanced life support gases. In FY01, water recovery system models will be developed.

Malin, Jane T.↗
DOE OSTI2016

SHARP User Manual

SHARP is an advanced modeling and simulation toolkit for the analysis of nuclear reactors. It is comprised of several components including physical modeling tools, tools to integrate the physics codes for multi-physics analyses, and a set of tools to couple the codes within the MOAB framework. Physics modules currently include the neutronics code PROTEUS, the thermal-hydraulics code Nek5000, and the structural mechanics code Diablo. This manual focuses on performing multi-physics calculations with the SHARP ToolKit. Manuals for the three individual physics modules are available with the SHARP distribution to help the user to either carry out the primary multi-physics calculation with basic knowledge or perform further advanced development with in-depth knowledge of these codes. This manual provides step-by-step instructions on employing SHARP, including how to download and install the code, how to build the drivers for a test case, how to perform a calculation and how to visualize the results. Since SHARP has some specific library and environment dependencies, it is highly recommended that the user read this manual prior to installing SHARP. Verification tests cases are included to check proper installation of each module. It is suggested that the new user should first follow the step-by-step instructions provided for a test problem in this manual to understand the basic procedure of using SHARP before using SHARP for his/her own analysis. Both reference output and scripts are provided along with the test cases in order to verify correct installation and execution of the SHARP package. At the end of this manual, detailed instructions are provided on how to create a new test case so that user can perform novel multi-physics calculations with SHARP. Frequently asked questions are listed at the end of this manual to help the user to troubleshoot issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗