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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 73 records · Page 4

Developing an Automated Uncertainty Quantification Tool to Improve Watershed-Scale Predictions of Water and Nutrient Cycling

Managing the flow of water, nutrients, and contaminants in watersheds is vital to addressing pressing issues related to water scarcity, access to clean drinking water, energy production, resilience to natural and anthropogenic perturbations, and ecological restoration. Decisions about the management of watersheds critically depend on the accuracy with which the flow of water and chemicals through the watershed can be predicted by computer models. Prediction uncertainty can be reduced by matching the model to data, which are collected in the field at great expense. The contribution of watershed characterization data to reducing uncertainty of relevant model predictions can be evaluated in a so-called data-worth analysis, which provides transparent, quantitative metrics about a data set’s value for the support of relevant watershed management objectives. To achieve this goal, we developed a software package that implements the data-worth analysis approach for use with state-of-the-art watershed models. The purpose of the proposed data-worth analysis is to help decision-makers allocate resources for watershed characterization such that the uncertainty in model predictions can be significantly reduced, which leads to better, more effective management decisions. At the same time, watershed characterization costs can be reduced. The specific technical objectives of this SBIR/STTR Phase II project were to develop a framework and associated software toolsets that implement the uncertainty quantification and data-worth analysis approach for use with state-of-the-art watershed models. This goal was achieved by (A) developing a user-friendly, robust software package that is accessible to a wide audience, including watershed managers, policy-makers, and public stakeholders; (B) by demonstrating application of the prototype on several use cases that are representative of complex watershed management challenges spanning a range of scales and that consider different open-source, DOE-based codes and other modeling platforms; and (C) by gathering information about the needs and requirements from potential users to help guide future developments, ensuring that the final product will be commercially viable. The developed software consists of a graphical user interface that guides the user through a sequence of analysis steps, supported by toolsets that leverage state-of-the-art computational simulation-optimization capabilities. A prototype of the software runs on multiple platforms (PC, Mac, multi-processor Linux environment), is linked to diverse watershed simulators (e.g., ECOSYS, TOUGH2, TOUGHREACT, Amanzi-ATS), performs multiple analysis tasks (predictive simulations, sensitivity analysis, uncertainty analysis, automatic parameter estimation, and data-worth analysis, multicomponent geothermometry), and is readily extensible to include external simulators and analysis tools. The software is being commercialized and will be continually updated to address user needs.

58 GEOSCIENCES↗

Virtual Engineering of Low-Temperature Conversion

In this work, we present the development of an overarching software framework and supporting multiphysics models to simulate the end-to-end process of biomass conversion. This virtual engineering (VE) software is designed with the goal of accelerating research and development and reducing risk for market-relevant biomass conversion processes. We currently support multiple models, computing paradigms, and fidelities representing the steps of feedstock pretreatment, enzymatic hydrolysis, and bioconversion. Although this VE approach was developed to support a biomass workflow, we have designed each component in a way that allows us to easily support new domains, unit models, and feedstocks. We begin by presenting the user-facing aspects of the VE software and highlight how simulated elements are defined and linked by VE functions. We then present an overview of the high-fidelity computational fluid dynamics (CFD) models developed to support our target domain before segueing into our efforts to develop accurate and fast surrogate models, capturing the salient outcomes from the CFD simulations in a significantly less computationally demanding manner. We then present how VE calculations interface with a commercial techno-economic analysis software, Aspen Plus. We conclude by presenting VE case studies that leverage these methods and discuss how our methods can be extended to support a wide variety of accelerated biofuel commercialization pathways in the future.

biofuel↗

AMReX: a framework for block-structured adaptive mesh refinement

AMReX is a C++ software framework that supports the development of block-structured adaptive mesh refinement (AMR) algorithms for solving systems of partial differential equations (PDEs) with complex boundary conditions on current and emerging architectures. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving the local descriptions of different physical processes in complex multiphysics algorithms. Current AMReX-based application codes span a number of areas, including atmospheric modeling, astrophysics, combustion, cosmology, fluctuating hydrodynamics, multiphase flows, and particle accelerators. In particular, the AMReX-Astro GitHub repository holds a number of astrophysical modeling tools based on AMReX. The origins of AMReX trace back to the BoxLib software framework. AMReX supports a number of different time-stepping strategies and spatial discretizations. Solution strategies supported by AMReX range from level-by-level approaches (with or without subcycling in time) with multilevel synchronization to full-hierarchy approaches, and any combination thereof. User-defined kernels that operate on patches of data can be written in C++ or Fortran; there is also a Fortran-interface functionality which wraps the core C++ data structures and operations in Fortran wrappers so that an application code based on AMReX can be written entirely in Fortran.

97 MATHEMATICS AND COMPUTING↗

GridPACK™ : A Framework for Developing Power Grid Simulations on High-Performance Computing Platforms

This paper describes the GridPACK™ framework, which is designed to help power grid engineers develop modeling software capable of running on high performance computers. The framework makes extensive use of software templates to provide high level functionality while at the same time allowing developers the freedom to express whatever models and algorithms they are using. GridPACK™ contains modules for setting up distributed power grid networks, assigning buses and branches with arbitrary behaviors to the network, creating distributed matrices and vectors and using parallel linear and non-linear solvers to solve algebraic equations. It also provides mappers to create matrices and vectors based on properties of the network and functionality to support IO and to mana

Palmer, Bruce J.↗

IEA Wind Task 37: Systems Modeling Framework and Ontology for Wind Turbines and Plants

This presentation will provide an overview of progress to date in the development of a system modeling framework and ontology for wind turbines and plants as part of the larger IEA Wind Task 37 on wind energy systems engineering. The goals of the effort are to create a set of guidelines for a common conceptual architecture for wind turbines and plants so that practitioners can more easily share descriptions of wind turbines and plants across multiple parties and reduce the effort for translating descriptions between models; integrate different models together and collaborate on model development; and translate models among different levels of fidelity in the system.

17 WIND ENERGY↗

Hierarchical Model-Free Transactive Control of Building Loads to Support Grid Services

Residential buildings consume 4.4 quads of electricity annually, approximately 37% of the total electricity consumption in the United States. This represents a vast resource that can be used for demand management and other ancillary services. This project aims to develop a robust, scalable hierarchical transactional control mechanism incorporating elements of model-free control (MFC) and game theory to harness buildings to provide ancillary services to the grid. This approach is being taken to address the challenges of incorporating traditional transactional control schemes into existing buildings. The challenges include small individual building sizes requiring aggregation of many buildings, unpredictable energy usage that makes model identification difficult, and satisfying the sensitive occupant comfort constraints. In the proposed approach, by separating the control mechanism into two layers above and below the load aggregator, MFC can be used below the aggregator to modulate flexible building loads in response to pricing signals with guaranteed performance. This allows the burden of identifying an accurate model of the system to be shifted to the above-aggregator layer, where fluctuations in individual building usage have less impact on predicted building system behavior. Game theory concepts can then be used to determine pricing curves and control signals among regional aggregators. Managing this control in a game-theoretic approach will allow us to build in financial incentives that increase customer engagement. Additionally, the usage of MFC necessitates less burdensome computational and communication requirements, thus, it is easily deployable on small, embedded devices. In a broader sense, developing a strategy capable of effectively incorporating residential and small commercial buildings will allow greater throughput of existing and emerging grid services in addition to future transactive energy grid management methods. Using MFC within a hierarchical control architecture will allow the shifting of existing forecasting challenges to an aggregate level, where dynamics are slower and more predictable. This will enable a smooth interface between the grid services requests of utilities and the reliable control required by participating buildings. MFC, which supports distributed control architecture, permits a scalable solution that can be deployed to neighborhood-size systems as well as individual buildings. This project focuses on three objectives: (1) developing the mathematical framework, algorithm toolkit, and software toolset of the two-layer transactive control testbed; (2) developing a scalable solution for application over many residential and small-size commercial buildings with sparse distributed communication; and (3) field testing and implementation on hardware of the control strategies developed in the previous two objectives. The research and development activities are focused and designed to be impactful within the relevant 2025 targets timeframe. An open-source control framework for exploiting variability and dispatchability of building loads will be delivered as the outcome of the project. This capability enables greater participation of loads in electricity markets and ancillary services that are both useful for the utility and financially beneficial for building owners.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Application of Orthogonal Defect Classification for Software Reliability Analysis

The modernization of existing and new nuclear power plants with digital instrumentation and control systems (DI&C) is a recent and highly trending topic. However, there lacks strong consensus on best-estimate reliability methodologies by both the United States (U.S.) Nuclear Regulatory Commission (NRC) and the industry. This has resulted in hesitation for further modernization projects until a more unified methodology is realized. In this work, we develop an approach called Orthogonal-defect Classification for Assessing Software Reliability (ORCAS) to quantify probabilities of various software failure modes in a DI&C system. The method utilizes accepted industry methodologies for software quality assurance that are also verified by experimental or mathematical formulations. In essence, the approach combines a semantic failure classification model with a reliability growth model to predict (and quantify) the potential failure modes of a DI&C software system. The semantic classification model is used to address the question: How do latent defects in software contribute to different software failure root causes? The use of reliability growth models is then used to address the question: Given the connection between latent defects and software failure root causes, how can we quantify the reliability of the software? A case study was conducted on a representative I&C platform (ChibiOS) running a smart sensor acquisition software developed by Virginia Commonwealth University (VCU). The testing and evidence collection guidance in ORCAS was applied, and defects were uncovered in the software. Qualitative evidence, such as condition coverage, was used to gauge the completeness and trustworthiness of the assessment while quantitative evidence was used to determine the software failure probabilities. The reliability of the software was then estimated and compared to existing operational data of the sensor device. It is demonstrated that by using ORCAS, a semantic reasoning framework can be developed to justify software reliability (or unreliability) while still leveraging the strength of the existing methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cybersecurity Vulnerability Mitigation Framework through Empirical Paradigm (CyFEr): Prioritized Gap Analysis

Cybersecurity vulnerability assessment tools, frameworks, methodologies, and processes are commonly used to understand the cybersecurity maturity and posture of a system or a facility. Although, those tools are strictly developed based on standards defined by organizations such as the National Institute of Standards and Technology (NIST) and the U.S. Department of Energy, the majority of these tools and frameworks do not provide a platform to prioritize the requirements to reach a desired cybersecurity maturity. To address that challenge, we have been developing a framework and a software application called the cybersecurity vulnerability mitigation framework through empirical paradigm (CyFEr). The efficacy of CyFEr was evaluated by implementing it on the NIST Cybersecurity Framework (CSF). This paper provides a detailed architecture of CyFEr and demonstrates its application to CSF by testing against a real-world cyber-attack that targeted industrial control systems in a critical infrastructure facility.

Gourisetti, Sri Nikhil G.↗

SU-C-18A-02: Image-Based Camera Tracking: Towards Registration of Endoscopic Video to CT

Purpose: Endoscopic examinations are routinely performed on head and neck and esophageal cancer patients. However, these images are underutilized for radiation therapy because there is currently no way to register them to a CT of the patient. The purpose of this work is to develop a method to track the motion of an endoscope within a structure using images from standard clinical equipment. This method will be incorporated into a broader endoscopy/CT registration framework. Methods: We developed a software algorithm to track the motion of an endoscope within an arbitrary structure. We computed frame-to-frame rotation and translation of the camera by tracking surface points across the video sequence and utilizing two-camera epipolar geometry. The resulting 3D camera path was used to recover the surrounding structure via triangulation methods. We tested this algorithm on a rigid cylindrical phantom with a pattern spray-painted on the inside. We did not constrain the motion of the endoscope while recording, and we did not constrain our measurements using the known structure of the phantom. Results: Our software algorithm can successfully track the general motion of the endoscope as it moves through the phantom. However, our preliminary data do not show a high degree of accuracy in the triangulation of 3D point locations. More rigorous data will be presented at the annual meeting. Conclusion: Image-based camera tracking is a promising method for endoscopy/CT image registration, and it requires only standard clinical equipment. It is one of two major components needed to achieve endoscopy/CT registration, the second of which is tying the camera path to absolute patient geometry. In addition to this second component, future work will focus on validating our camera tracking algorithm in the presence of clinical imaging features such as patient motion, erratic camera motion, and dynamic scene illumination.

60 APPLIED LIFE SCIENCES↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

Spack-Manager

SAND2022-3282 O Spack-Manager is a lightweight wrapper for streamlining the software development and deployment cycle using Spack. Spack-Manager creates a uniform framework for developing, testing, and deploying specific software stacks for projects across multiple platforms while utilizing Spack as much as possible. It organizes Spack extensions, machine configurations, project customizations, and tools for features that are mostly project specific. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sakievich, Philip↗

AMReX v2024

The software framework, AMReX, supports the development of block-structured adaptive mesh refinement (AMR) algorithms for solving systems of partial differential equations. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving the essential local descriptions of different physical processes in complex multiphysics algorithms. AMR uses a hierarchical representation of the solution at multiple levels of resolution where the solution on each level is defined on the union of data containers at that resolution. These data containers, which represent the solution over a logically rectangular subregion of the domain, can contain field data defined on a mesh, Lagrangian particles or combinations of both. In addition to these basic data types, AMReX supports a multilevel embedded boundary representation of complex geometry; linear solvers for cell-centered and nodal data; asynchronous I/O in a native format readable by ParaView, VisIt and yt; and interfaces to hypre and PETSc solvers. AMReX enables applications to run on distributed memory architectures with multicore CPUs and with GPU accelerators. AMReX uses a lightweight abstraction layer that effectively hides the details of the architecture from the application. The framework currently supports CUDA, HIP and SYCL for GPU acceleration and OpenMP for multi-core CPU architectures.

Almgren, Ann↗

The Earth System Prediction Suite: Toward a Coordinated U.S. Modeling Capability

The Earth System Prediction Suite (ESPS) is a collection of flagship U.S. weather and climate models and model components that are being instrumented to conform to interoperability conventions, documented to follow metadata standards, and made available either under open-source terms or to credentialed users. Furthermore, the ESPS represents a culmination of efforts to create a common Earth system model architecture, and the advent of increasingly coordinated model development activities in the United States. ESPS component interfaces are based on the Earth System Modeling Framework (ESMF), community-developed software for building and coupling models, and the National Unified Operational Prediction Capability (NUOPC) Layer, a set of ESMF-based component templates and interoperability conventions. Our shared infrastructure simplifies the process of model coupling by guaranteeing that components conform to a set of technical and semantic behaviors. The ESPS encourages distributed, multiagency development of coupled modeling systems; controlled experimentation and testing; and exploration of novel model configurations, such as those motivated by research involving managed and interactive ensembles. ESPS codes include the Navy Global Environmental Model (NAVGEM), the Hybrid Coordinate Ocean Model (HYCOM), and the Coupled Ocean–Atmosphere Mesoscale Prediction System (COAMPS); the NOAA Environmental Modeling System (NEMS) and the Modular Ocean Model (MOM); the Community Earth System Model (CESM); and the NASA ModelE climate model and the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model.

54 ENVIRONMENTAL SCIENCES↗

Summarizing the interoperabilities between xSDK members

Rapid, efficient production of high-quality, sustainable extreme-scale scientific applications is best accomplished using a rich ecosystem of state-of-the art reusable libraries, tools, lightweight frameworks, and defined software methodologies, developed by a community of scientists who are striving to identify, adapt, and adopt best practices in software engineering. The vision of the xSDK is to provide infrastructure for and interoperability of a collection of related and complementary software elements — developed by diverse, independent teams throughout the high-performance computing (HPC) community — that provide the building blocks, tools, models, processes, and related artifacts for rapid and efficient development of high-quality applications. A primary component, and challenge, of the xSDK is to improve interoperability among software libraries and domain components. This document summarizes the current and planned interoperabilities of the twenty-three xSDK member packages as of March 2021. Additionally, the status of the xSDK example codes that demonstrate and test the interoperabilities within the xSDK is provided.

97 MATHEMATICS AND COMPUTING↗

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.]↗

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]↗

Assessment of Industrial Load for Demand Response across U.S. Regions of the Western Interconnect

Demand response (DR) has the ability to both increase power grid reliability and potentially reduce operating system costs. Understanding the role of demand response in grid modeling has been difficult due to complex nature of the load characteristics compared to the modeled generation and the variation in load types. This is particularly true of industrial loads, where hundreds of different industries exist with varying availability for demand response. We present a framework considering industrial loads for the development of availability profiles that can provide more regional understanding and can be inserted into analysis software for further study. The developed framework utilizes a number of different informational resources, algorithms, and real-world measurements to perform a bottom-up approach in the development of a new database with representation of the potential demand response resource in the industrial sector across the U.S. This tool houses statistical values of energy and demand response (DR) potential by industrial plant and geospatially locates the information for aggregation for different territories without proprietary information. This report will discuss this framework and the analyzed quantities of demand response for Western Interconnect (WI) in support of evaluation of the cost production modeling with power grid modeling efforts of demand response.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SRNL Report on Vendor Solicitation and Selective Ion-Electrode Testing

Effective operation of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will require information collected from sampling and/or monitoring to maintain environmental compliance, product quality, and operating efficiency. The U.S. Department of Energy (DOE) – Office of River Protection (ORP) recognizes the potential long-term benefit of developing real-time, in-line monitoring (RTIM) at the WTP to improve the current strategy of collecting tens of thousands of samples and analyzing them. In-line monitoring can decrease processing time associated with waiting for sample analysis, reduce workers’ exposure to radiation and chemical hazards, decrease secondary waste volumes, potentially improve product quality, and provide production support and enhance overall operational control. The Assistant Manager, WTP chartered an Integrated Technical Team (ITT), which includes personnel from the Savannah River National Laboratory (SRNL), Bechtel National, Inc., and DOE-ORP, to evaluate the capability and potential benefits of replacing routine sample collection requirements with real-time, in-line monitoring. The initial focus of the ITT is the Direct Feed Low Activity Waste (DFLAW) Program. This work scope is being performed in multiple phases. Phase 1 is Requirements and Opportunities Analysis, Phase 2 is Applications and Benefits Determination, and Phase 3 is Qualification and Demonstration. Phase 1 included 6 tasks and was completed by SRNL in 2017. The tasks in Phase 1 were: (1) determining the functional requirements for determining analytes and properties of streams, (2) determining the technical basis for process control, (3) determining the sampling points within the Low Activity Waste (LAW) facility and Effluent Management Facility (EMF), (4) data quality and management, (5) process control challenges, and (6) preparing a Preliminary Analysis Plan. DOE-ORP was briefed on the findings from the Phase 1 tasks and requested that Phase 2 work focus on establishing a basis for a materials balance approach that minimized process sampling. The Phase 2 work scope contains tasks to evaluate a materials balance only approach as well as continuing scoping evaluations for instruments that could be used for RTIM. The Phase 2 work scope was completed by both SRNL and Pacific Northwest National Laboratory (PNNL). The tasks performed in Phase 2 were: 1. Overall program administration and technical oversight 2. Evaluation of a Material Balance Approach, a. Evaluation of uncertainty of this approach compared to uncertainty of current methods b. Evaluation of automating the material balance within the framework of existing control software, c. Development of the methodology to obtain and evaluate data during cold commissioning to support a material balance approach, and d. Development of a framework to utilize during presentation of the revised approach to stakeholders and regulators. 3. Screening Evaluations of Instruments to Supplement the Material Balance Approach, a. AP-105 melter condensate evaluations, and b. Screening testing with simulants. 4. Evaluation of the current DFLAW feed qualification program to identify analytes that could be eliminated, a. Inorganic analytes, b. Radionuclides, and c. Organic analytes. This report describes the results of Task 3b, Screening testing with simulants. The Savannah River National Laboratory requested demonstrations of commercially available analytical instruments by the vendors or laboratory demonstration. The techniques tested included: Raman spectroscopy, Infrared spectroscopy (IR), laser induced breakdown spectroscopy (LIBS), X-Ray Fluorescence Spectroscopy (XRF), and ion-selective electrochemical probes. Additionally, the instrumentation would need to be durable enough to withstand the environment of the plant, preferably with little to no maintenance. The insertion point of the instrument would be dependent upon the instrumentation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗