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All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

NDARC NASA Design and Analysis of Rotorcraft Theory Appendix 1

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Design and Analysis↗
NASA NTRS2016

NDARC: NASA Design and Analysis of Rotorcraft: Theory - Appendix 3

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Rotorcraft Theory↗
NASA NTRS2017

NDARC NASA Design and Analysis of Rotorcraft: Theory - Appendix 5

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Appendix↗
NASA NTRS2017

NDARC NASA Design and Analysis of Rotorcraft: Input - Appendix 6

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Input↗
NASA NTRS2018

NDARC NASA Design and Analysis of Rotorcraft - Theory, Appendix 7

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Appendix 7↗
NASA NTRS2018

NDARC NASA Design and Analysis of Rotorcraft - Input, Appendix 8

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

Design and Analysis↗
NASA NTRS2019

NDARC NASA Design and Analysis of Rotorcraft - Input, Appendix 10

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

NDARC↗
NASA NTRS2022

NDARC - NASA Design and Analysis of Rotorcraft: Theory - Vol 1

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing (VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

NDARC↗
NASA NTRS2023

NDARC - NASA Design and Analysis of Rotorcraft: Theory - Appendix A

The NASA Design and Analysis of Rotorcraft (NDARC) software is an aircraft system analysis tool that supports both conceptual design efforts and technology impact assessments. The principal tasks are to design (or size) a rotorcraft to meet specified requirements, including vertical takeoff and landing(VTOL) operation, and then analyze the performance of the aircraft for a set of conditions. For broad and lasting utility, it is important that the code have the capability to model general rotorcraft configurations, and estimate the performance and weights of advanced rotor concepts. The architecture of the NDARC code accommodates configuration flexibility, a hierarchy of models, and ultimately multidisciplinary design, analysis, and optimization. Initially the software is implemented with low-fidelity models, typically appropriate for the conceptual design environment. An NDARC job consists of one or more cases, each case optionally performing design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance calculation, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. For analysis tasks, the aircraft description can come from the sizing task, from a previous case or a previous NDARC job, or be independently generated (typically the description of an existing aircraft). The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. For each component, attributes such as performance, drag, and weight can be calculated; and the aircraft attributes are obtained from the sum of the component attributes. Description and analysis of conventional rotorcraft configurations is facilitated, while retaining the capability to model novel and advanced concepts. Specific rotorcraft configurations considered are single-main-rotor and tail-rotor helicopter, tandem helicopter, coaxial helicopter, and tiltrotor. The architecture of the code accommodates addition of new or higher-fidelity attribute models for a component, as well as addition of new components.

NDARC↗
DOE OSTI2025

Automating Testing of DUNE Electronics via a Finite State Machine

The Deep Underground Neutrino Experiment (DUNE) is a flagship international collaboration designed to study neutrinos—tiny, nearly massless particles that may hold answers to fundamental questions about the Universe. Fermilab’s Robotic Test Stand (RTS) plays a critical role in ensuring the quality of approximately 50,000 Application-Specific Integrated Circuit (ASIC) chips that will be used in DUNE’s massive liquid argon detectors. These electronics will be inside the cryostat; therefore, they will need to have a high yield of working chips and low noise. To improve the automation and reliability of the RTS, this project focused on designing and implementing a Python-based finite state machine (FSM) to manage chip handling workflows. The FSM was developed as a modular software framework to coordinate robotic arm movements, manage chip tray positions, and monitor system states during testing. Key features include robust error handling routines, a pause/resume system for safe mid-cycle interruptions, and a simulation mode for iterative testing without hardware dependencies. The system was designed to prepare for seamless integration with RTS hardware components such as the robotic arm and vision system. This integration will streamline collaboration and enable efficient deployment of updates across the six institutions performing testing. The outcomes of this internship contribute to Fermilab’s mission to advance high-energy physics and support the DOE’s national goals by directly improving the testing of equipment to be used in DUNE. The project also provided valuable experience in software design and contributing to the success of DUNE.

Kang, Caleb [Fermilab]↗
DOE OSTI2025

Automating Testing of DUNE Electronics via a Finite State Machine

The Deep Underground Neutrino Experiment (DUNE) is a flagship international collaboration designed to study neutrinos tiny, nearly massless particles that may hold answers to fundamental questions about the Universe. Fermilab s Robotic Test Stand (RTS) plays a critical role in ensuring the quality of approximately 50,000 Application-Specific Integrated Circuit (ASIC) chips that will be used in DUNE s massive liquid argon detectors. These electronics will be inside the cryostat; therefore, they will need to have a high yield of working chips and low noise. To improve the automation and reliability of the RTS, this project focused on designing and implementing a Python-based finite state machine (FSM) to manage chip handling workflows. The FSM was developed as a modular software framework to coordinate robotic arm movements, manage chip tray positions, and monitor system states during testing. Key features include robust error handling routines, a pause/resume system for safe mid-cycle interruptions, and a simulation mode for iterative testing without hardware dependencies. The system was designed to prepare for seamless integration with RTS hardware components such as the robotic arm and vision system. This integration will streamline collaboration and enable efficient deployment of updates across the six total institutions performing testing. The outcomes of this internship contribute to Fermilab s mission to advance high-energy physics and support the DOE s national goals by directly improving the testing of equipment to be used in DUNE. The project also provided valuable experience in software design and contributing to the success of DUNE.

Kang, Caleb [William Rainey Harper Coll.]↗
NASA NTRS2022

Adaptive IV&V for Increasingly Complex Software Systems

As NASA software systems continue to innovate, becoming more complex and nondeterministic, the need for the NASA IV&V Program to become systemically adaptive to ensure mission success is paramount. To ensure adaptability within resource constraints, IV&V has developed an agile, risk-based approach to identify, characterize, scope, focus, and prioritize mission assurance activities. This risk based adaptive framework has been applied to trends such as increased reliance on data driven algorithms for safety and mission critical software behavior, use of MBSE in system design, and application of agile principles to embedded software development. The framework is enabled by continuous innovation of new approaches such as software only test beds, assurance design tools, and initiatives that augment IV&V assurance methods with artificial intelligence and machine learning techniques. This presentation will highlight the trends the NASA IV&V Program is seeing, the innovative steps it is taking to address those challenges, and how it is postured to address evolving risk and constantly changing and new technologies.

Wesley W Deadrick↗
NASA NTRS2016

Transitioning Autonomous Systems Technology Research to a Flight Software Environment

NASA has developed methods and algorithms for autonomous spacecraft operations,including automated planning and scheduling, fault diagnostics and impact determination,procedure management and display. Making the transition from technology research tooperational flight software requires overcoming significant technical, programmatic andcultural challenges. Technology research is aimed at developing methods that performspecific functions correctly, but the resulting software may not be designed for flightprocessors with limited CPU, memory and network resources, and may not be easilyintegrated into spacecraft flight software. Our objective in the Autonomous Systems andOperations Project is to make significant strides toward the transformation from technologyto operational use. Our focus was twofold: maturing research grade autonomy software intoa flight software environment using broadly accepted languages and tools; and integratingautonomy applications with each other and with representative systems and their data andcommand interfaces. For a target flight software environment, we chose Core FlightSoftware, developed by Goddard Space Flight Center as a common operating systemindependent framework. Our hardware integration environment was provided by theIntegrated Power and Avionics Systems (iPAS) Lab at Johnson Space Center, in whichvarious subsystem development has been conducted to address engineering challenges forthe vehicles and systems required for long-duration missions into the solar system. The iPASand its network of connected facilities provides realistic subsystem hardware or simulationsof spacecraft power, life support, guidance, navigation and control, and command and datahandling subsystems. Interfaces between autonomy applications and the subsystems beingassessed and controlled were developed, assessed and refined. The hardware and softwareenvironment using CFS and the iPAS facility has proven to be a highly flexible and realisticenvironment in which to rapidly integrate applications in an iterative, low cost setting. Usingthe integration environment we have developed, we will turn our focus to performance andsizing analysis to determine the computational requirements for full-scale deployment ofautonomy technology. Scalability of reasoners and the spacecraft models upon which theyoperate, and robustness across the full range of spacecraft conditions and environments willbe explored and improved. We are making significant contributions to the future programsthat will build the spacecraft that will take humans beyond the Earth-Moon system, in whichprogram Systems Engineers will be able to accurately and confidently design in accurate,robust and mature autonomous operations systems.

Flight Software↗
NASA NTRS1986

Object-oriented development

Object Oriented Development (OOD) is one of the extremely few software development methods actually designed for modern Ada language, real-time, embedded applications. OOD is a significant improvement over more traditional functional decomposition and modeling methods in that ODD: Better manages the size, complexity, and concurrancy of today's systems; Better addresses important software engineering principles such as abstract data types, levels of abstraction, and information hiding; Produces a better design that more closely matches reality; Produces more maintainable software by better localizing data and thus limiting the impact of requirements changes; and Specifically exploits the power of Ada. OOD is further explored in detail.

Firesmith, Donald G.↗
DOE OSTI2026

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

End-to-end optimization for battery materials and molecules by combining graph neural networks and reinforcement learning

The National Renewable Energy Laboratory (NREL), together with the Colorado School of Mines (CSM) and Colorado State University (CSU), has developed a machine learning-enhanced approach to design new battery materials. Currently, such materials are designed in part via numerous expensive high-fidelity computational simulations that predict the performance of a given composition. Even with computational screening tools, the vast landscape of possible molecular or crystal structures exceeds current and future computational capacity. Improving the efficiency by which new materials can be optimized will therefore disrupt the cost, risk, and time required to bring new energy solutions to the marketplace. Predicting the properties of an organic molecule or periodic crystalline material given its structure has grown increasingly common. These approaches leverage large-scale computational and experimental databases and ML approaches such as graph neural networks. The inverse design problem of finding a material that possesses desired properties is substantially more challenging, since enumerating all valid material structures is not feasible. In this project, we leveraged recent success in reinforcement learning to efficiently navigate this high-dimensional search space. Just as algorithms can find the optimal chess moves from nearly limitless options, we train an approach to evolve a simple starting structure into a complex structure that possess the desired properties. Our solution has been demonstrated by applying it to two related design application tasks for short- and long-term energy storage, respectively: (1) the design of solid-state ion conductors and (2) the design of organic redox-active materials. The project has resulted an open-source software library for material design, documented examples of applying the library to both organic and inorganic material optimization, and peer-reviewed publications detailing the data, computational models, and resulting candidate materials.

25 ENERGY STORAGE↗
DOE OSTI2022

End-to-End Optimization for Battery Materials and Molecules by Combining Graph Neural Networks and Reinforcement Learning

The National Renewable Energy Laboratory (NREL), together with the Colorado School of Mines (CSM) and Colorado State University (CSU), has developed a machine learning-enhanced approach to the design of new battery materials. Currently, such materials are designed in part via numerous expensive high-fidelity computational simulations that predict the performance of a given composition. Even with computational screening tools, the vast landscape of possible molecular or crystal structures exceeds current and future computational capacity. Improving the efficiency by which new materials can be optimized will therefore disrupt the cost, risk, and time required to bring new energy solutions to the marketplace. Predicting the properties of an organic molecule or periodic crystalline material given its structure has grown increasingly common. These approaches leverage large-scale computational and experimental databases and ML approaches such as graph neural networks. The inverse design problem of finding a material that possesses desired properties is substantially more challenging, since enumerating all valid material structures is not feasible. In this project, we leveraged recent success in reinforcement learning to efficiently navigate this high-dimensional search space. Just as algorithms can find the optimal chess moves from nearly limitless options, we train an approach to evolve a simple starting structure into a complex structure that possess the desired properties. Our solution has been demonstrated by applying it to two related design application tasks for short- and long-term energy storage, respectively: (1) the design of solid-state ion conductors and (2) the design of organic redox-active materials. The project has resulted an open-source software library for material design, documented examples of applying the library to both organic and inorganic material optimization, and peer-reviewed publications detailing the data, computational models, and resulting candidate materials.

25 ENERGY STORAGE↗
NASA NTRS1999

A Robust and Scalable Software Library for Parallel Adaptive Refinement on Unstructured Meshes

The design and implementation of Pyramid, a software library for performing parallel adaptive mesh refinement (PAMR) on unstructured meshes, is described. This software library can be easily used in a variety of unstructured parallel computational applications, including parallel finite element, parallel finite volume, and parallel visualization applications using triangular or tetrahedral meshes. The library contains a suite of well-designed and efficiently implemented modules that perform operations in a typical PAMR process. Among these are mesh quality control during successive parallel adaptive refinement (typically guided by a local-error estimator), parallel load-balancing, and parallel mesh partitioning using the ParMeTiS partitioner. The Pyramid library is implemented in Fortran 90 with an interface to the Message-Passing Interface (MPI) library, supporting code efficiency, modularity, and portability. An EM waveguide filter application, adaptively refined using the Pyramid library, is illustrated.

Lou, John Z.↗