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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 649 records · Page 36

SIERRA/Aero User Manual (V.5.6)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual - V.5.10

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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Connecting Minds: AI Use Cases to Bridge Power Systems and Large Language Models for Practical Applications

Recent advances in artificial intelligence (AI) and development of large language models (LLMs) present the opportunity to develop a new generation of power systems applications. In contrast with early power system AI applications based on structured numerical data, LLMs offer unique capabilities to perform logical reasoning using text documents, unstructured data, and application programming interface (API) calls to computational software. This paper seeks to bridge the knowledge gap between power systems engineers and LLM developers through a crosscutting explanation of use cases, characteristics, requirements, practical considerations from the perspectives of both LLM capabilities and industry needs. Specific focus is given to applications that can be realistically deployed by electric utilities. After introducing the architecture of LLMs and unique challenges of the power systems domain, this paper proposes twenty representative LLM applications grouped into categories of 1) power system operations, 2) asset management, 3) system planning and analytics, and 4) energy management and protection systems. Five use cases are presented within each category with descriptions of the motivation, objectives, approaches, example inputs / outputs, and benefits of each use case.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Electric-Discharge Milling of Small Airplane-Engine Components

The production of small complex components by electric-discharge milling is studied by experimental methods. Means of optimizing numerical-control software so as to obtain the required shaping precision are proposed. The proposed systems and equipment permit the development and implementation of designs unattainable by other means.

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Lattice QCD Application Development within the US DOE Exascale Computing Project

In October, 2016, the US Department of Energy launched the Exascale Computing Project, which aims to deploy exascale computing resources for science and engineering in the early 2020's. The project brings together application teams, software developers, and hardware vendors in order to realize this goal. Lattice QCD is one of the applications. Members of the US lattice gauge theory community with significant collaborators abroad are developing algorithms and software for exascale lattice QCD calculations. We give a short description of the project, our activities, and our plans.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process for a building often implements sampling rates to select equipment for functional acceptance testing when large quantities of equipment are present. While this approach is generally effective in identifying wide-spread issues, it has several key shortfalls. (1) It provides a one-time validation of equipment operation in which the standard documentation is a simple checklist of pass/fail questions. (2) It fails to evaluate equipment not included in the sample rate selection. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. The goal of this presentation will be to highlight the advantages offered by automated functional testing in this critical laboratory setting. These are primarily (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with connected commissioning and the important conversations with the key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗

Hydrologic Nuclide Transport Models in Cyder, A Geologic Disposal Software Library - 13328

Component level and system level abstraction of detailed computational geologic repository models have resulted in four rapid computational models of hydrologic radionuclide transport at varying levels of detail. Those models are described, as is their implementation in Cyder, a software library of interchangeable radionuclide transport models appropriate for representing natural and engineered barrier components of generic geology repository concepts. A proof of principle demonstration was also conducted in which these models were used to represent the natural and engineered barrier components of a repository concept in a reducing, homogenous, generic geology. This base case demonstrates integration of the Cyder open source library with the Cyclus computational fuel cycle systems analysis platform to facilitate calculation of repository performance metrics with respect to fuel cycle choices. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process uses sampling to select equipment for functional acceptance testing when large quantities of equipment are present. Although this approach is generally effective in identifying wide-spread issues, it has several shortcomings: it fails to evaluate equipment not included in the sample, provides only a one-time validation of equipment operation, and the standard documentation is a simple checklist of pass/fail questions. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. This presentation highlights the advantages offered by automated functional testing in this critical laboratory setting: (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with Connected Commissioning and the important conversations with key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗

Weapon Systems Engineering Material Database Requirements

The Weapon Systems Engineering Material Database, often called ‘Granta’ (due to the use of Granta MI software by Granta Design) but referred to in this document as ‘the database’, stores and distributes material information to W-division at Los Alamos National Laboratory (LANL). The database is constantly evolving as data is imported and methods of retrieving data are developed. Because limited resources necessitate prioritization of data to be imported and retrieval method development, a definition is needed of how the database is to be used, both currently and in the future. This document, to be used by the database developers, is intended to provide that definition in the form of requirements for the database.

36 MATERIALS SCIENCE↗

Traffic Control via Connected and Automated Vehicles (CAVs): An Open-Road Field Experiment with 100 CAVs

The CIRCLES project aims to reduce instabilities in traffic flow, which are naturally occurring phenomena due to human driving behavior. Also called “phantom jams” or “stop-and-go waves,” these instabilities are a significant source of wasted energy. Toward this goal, the CIRCLES project designed a control system, referred to as the MegaController by the CIRCLES team, that could be deployed in real traffic. Our field experiment, the MegaVanderTest (MVT), leveraged a heterogeneous fleet of 100 longitudinally controlled vehicles as Lagrangian traffic actuators, each of which ran a controller with the architecture described in this article. The MegaController is a hierarchical control architecture that consists of two main layers. The upper layer is called the Speed Planner and is a centralized optimal control algorithm. It assigns speed targets to the vehicles, conveyed through the LTE cellular network. The lower layer is a control layer, running on each vehicle. It performs local actuation by overriding the stock adaptive cruise controller, using the stock onboard sensors. The Speed Planner ingests live data feeds provided by third parties as well as data from our own control vehicles and uses both to perform the speed assignment. The architecture of the Speed Planner allows for the modular use of standard control techniques, such as optimal control, model predictive control (MPC), kernel methods, and others. The architecture of the local controller allows for the flexible implementation of local controllers. Corresponding techniques include deep reinforcement learning (RL), MPC, and explicit controllers. Depending on the vehicle architecture, all onboard sensing data can be accessed by the local controllers or only some. Likewise, control inputs vary across different automakers, with inputs ranging from torque or acceleration requests for some cars to electronic selection of adaptive cruise control (ACC) setpoints in others. The proposed architecture technically allows for the combination of all possible settings proposed previously, that is {Speed Planner algorithms} × {local Vehicle Controller algorithms} × {full or partial sensing} × {torque or speed control}. As a result, most configurations were tested throughout the ramp up to the MegaVandertest (MVT).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Techno-Economic Evaluation of Cellulosic Ethanol Production Based on Pilot Biorefinery Data: a Case Study of Sweet Sorghum Bagasse Processed via L+SScF

Replacing fossil fuels with renewable fuels derived from lignocellulosic biomass can contribute to the mitigation of global warming and the economic development of rural communities. This will require lignocellulosic biofuels to become price competitive with fossil fuels. Techno-economic analyses can provide insights into which parts of the biofuel production process need to be optimized to reduce cost or energy use. Here, we used data obtained from a pilot biorefinery to model a commercial-scale biorefinery that processes lignocellulosic biomass to ethanol, with a focus on the minimum ethanol selling price (MESP). The process utilizes a phosphoric acid-catalyzed pre-treatment of sweet sorghum bagasse followed by liquefaction and simultaneous saccharification and co-fermentation (L+SScF) of hexose and pentose sugars by an engineered Escherichia coli strain. After validating a techno-economic model developed with the SuperPro Designer software for the conversion of sugarcane bagasse to ethanol by comparing it to a published Aspen Plus model, six different scenarios were modeled for sweet sorghum bagasse Under the most optimistic scenario, the ethanol can be produced at a cost close to the energy-equivalent price of gasoline. Aside from an increase in the price of gasoline, the gap between ethanol and gasoline prices could also be bridged by either a decrease in the cost of cellulolytic enzymes or development of value-added products from lignin.

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Investigation of grid-based vorticity-velocity large eddy simulation off-body solvers for application to overset CFD

Accurately predicting unsteady wakes and vortex-dominated flows is essential to a wide range of engineering applications, including aircraft, rotorcraft, shipboard operations, bio-inspired unsteady flight and propulsion, wind turbines, and urban flows. While current CFD software can model the complete flow field and wake system, the computational costs incurred in high Reynolds number unsteady turbulent flow simulations often remain prohibitive for routine engineering use, particularly for applications involving moving components. Prior work has demonstrated that by adopting a vorticity-velocity formulation in a grid-based off-body flow solver (VorTran-M and VorTran-M2) one can lower these costs by several orders of magnitude when compared to conventional approaches. This paper describes the extensions made to VorTran-M2 to support turbulent flows, and associated benchmarking activity to assess its performance for problems involving strong stretching and diffusion processes, whose competing contributions to the vorticity field are core drivers of turbulent flow evolution. Predictions are presented for: (i) the Kida-Pelz problem whose inviscid form is of mathematical interest due to its apparent formation of singular flow in finite time; and (ii) the Taylor Green vortex arrangement, which has been extensively studied as a fundamental simulation challenge in the turbulent modeling community. Here, the results are used to evaluate the overall predictive ability and performance of two sub-grid scale models incorporated into VorTran-M2. Results indicate that the computational cost savings seen previously for inviscid and convection dominated problems extend to turbulent flow simulations supporting the viability of VorTran-M2 as a low cost means for accurately modeling the far-field and background flow, particularly when long duration vorticity evolution is of interest.

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RAG for FLAG: AI Assistance for a Physics Code

Artificial intelligence (AI) has quickly become an important tool in scientific research, where significant efforts are underway to develop tools that will expedite the research process. One area of particular impact is scientific software, which can be particularly complex, and therefore time consuming to learn and use effectively. AI assistants are increasingly helping to streamline the process by performing tasks such as interactively answering user questions or suggesting solutions. Los Alamos National Laboratory (LANL) develops several advanced scientific codes, such as FLAG, which can be used to run multiphysics simulations. With this study, our goal was to develop an AI assistant for FLAG that could help make the process of understanding the software and running physics simulations more efficient. To develop an AI assistant for FLAG, we used a method called retrieval-augmented generation (RAG), which is a technique that uses information from relevant data sources to enhance the accuracy of large language models (LLMs). We used the FLAG user manual and other FLAG documentation as the knowledge base for the RAG system. When a user provides a query, RAG retrieves relevant sections from the knowledge base in response, then uses those excerpts to generate grounded and contextually rich answers. We found that our AI assistant was able to provide context aware answers and source references to user queries. To evaluate performance, we developed a set of 40 benchmark questions and compared the accuracy of the responses to those of two standard LLMs without retrieval. Our AI assistant significantly outperformed the standard LLMs at answering FLAG-related questions, with an 82.5% accuracy rate, compared to 47.5% for both of the standard LLMs. This has the potential to make the process of learning and using FLAG much easier, especially for new users. Ultimately, it supports LANL’s broader mission by empowering scientists and engineers to focus more on discovery and analysis rather than on navigating complex software systems.

97 MATHEMATICS AND COMPUTING↗

Spanning the Core Design Space with Binary Perturbations - A Mathematical Investigation

A reactor core design engineer, even one with many years of experience or one using advanced fuel pattern optimization software, will likely fine tune the pattern before finalizing the design. Fine tuning can further minimize local enthalpy peaks, optimize reactivity to extend burnup, and add additional margin to limits on reactivity coefficients or heat flux. For reactors that have reached an equilibrium fuel cycle, the number of feeds each cycle is typically the similar to previous cycles as is their placement in the core. It is then the engineer's responsibly to efficiently select the placement of burned assemblies to ensure optimal fuel utilization, satisfy safety limits, and meet cycle energy requirements. One of the engineer's most commonly used tools in this fine tuning investigation is to swap the positions of two assemblies, most likely two previously irradiated ('burned') assemblies since their reactivity is lower than fresh fuel. Such an operation is referred to in this work as a binary perturbation or a 'swap'. If quarter core symmetry is maintained, the perturbation translates to the other three quadrants. Likewise if eighth core symmetry is maintained, the perturbation translates to other seven octants. The question is then, how much of the core design space can binary perturbations possibly span? This work seeks to quantitatively define the space spanned by m number of binary perturbations as a function of variable size through combinatorial principles and computer simulation. The results of this study are useful in understanding the in-core fuel management problem faced by both professionals who employ hand manipulations and those who attempt stochastic solutions of the problem.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

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Building Performance Software: Portfolio-Level Capabilities and Applications

Navigating the broad and rapidly evolving market landscape of software solutions is complex whether you are a sustainability leader, building owner, energy manager, or building engineer with energy and greenhouse gas (GHG) emissions reduction goals for a portfolio of buildings. The Department of Energy’s Better Buildings partners have noted this complexity and the associated lack of publicly available information. In response, this report reviews the ecosystem of environmental, social, and governance (ESG), energy management information systems (EMIS), and decarbonization software with the goal of orienting prospective users to current offerings. Organizations can utilize this guidance to determine the specific capabilities needed to support decarbonization efforts and procure appropriate software to streamline the GHG emissions reduction process. In this paper, we refer to “decarbonization software” as the category of software that meets an organization’s needs for decarbonization planning, implementation, and tracking. This software may have a heritage in ESG or EMIS, or it may be an entirely new product. This report offers a snapshot of today’s rapidly evolving decarbonization software capabilities, along with guidance for procuring and utilizing it that will remain relevant despite any future software changes. Exploratory research was conducted on over 100 software providers, and interviews were held with 28 of them. Note that inclusion in this report does not indicate an endorsement, nor does a product’s absence from this report indicate a lack of suitability

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(U)Vendor Sanitization Requirements – SIEMENS Control

This document defines the software requirements for the sanitization of the IPC and or the controller. The system is intended to manage part programs and associated data (e.g. simulations, probing data) by capturing metadata, securely sanitizing files, logging operations, backing up data to a defined path, deploying a user defined program to a controller, and restoring part programs and associated data when required.

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