Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Software engineering”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7

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↗

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↗

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.

97 MATHEMATICS AND COMPUTING↗

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

97 MATHEMATICS AND COMPUTING↗

(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.

42 ENGINEERING↗

Advancing Building Energy Modeling with Large Language Models: Exploration and Case Studies

The rapid progression in artificial intelligence has facilitated the emergence of large language models like ChatGPT, offering potential applications extending into specialized engineering modeling, especially physics-based building energy modeling. This paper investigates the innovative integration of large language models with building energy modeling software, focusing specifically on the fusion of ChatGPT with EnergyPlus. A literature review is first conducted to reveal a growing trend of incorporating large language models in engineering modeling, albeit limited research on their application in building energy modeling. We underscore the potential of large language models in addressing building energy modeling challenges and outline potential applications including simulation input generation, simulation output analysis and visualization, conducting error analysis, co-simulation, simulation knowledge extraction and training, and simulation optimization. Three case studies reveal the transformative potential of large language models in automating and optimizing building energy modeling tasks, underscoring the pivotal role of artificial intelligence in advancing sustainable building practices and energy efficiency. The case studies demonstrate that selecting the right large language model techniques is essential to enhance performance and reduce engineering efforts. The findings advocate a multidisciplinary approach in future artificial intelligence research, with implications extending beyond building energy modeling to other specialized engineering modeling.

building energy modeling↗

Benchmarking quantum computers

The rapid pace of development in quantum computing technology has sparked a proliferation of benchmarks to assess the performance of quantum computing hardware and software. However, not all benchmarks are of equal merit. Good ones empower scientists, engineers, programmers and users to understand the power of a computing system, whereas bad ones can misdirect research and inhibit progress. In this Perspective, we survey the science of quantum computer benchmarking. Here, we discuss the role of benchmarks and benchmarking and how good benchmarks can drive and measure progress towards the long-term goal of useful quantum computations, known as quantum utility. We explain how different kinds of benchmark quantify the performance of different parts of a quantum computer, discuss existing benchmarks, examine recent trends in benchmarking, and highlight important open research questions in this field.

Proctor, Timothy James [Sandia National Laboratori↗

Grid Modernization of Cooperatives and Municipal Utilities via Breakthrough System Monitoring, Control and Optimization (CRADA Final Report)

This project aims at developing and demonstrating successful implementation of breakthrough approaches in real-time data visualization as well as real-time distributed DER control and optimization to provide ample benefits to both utilities and end users. The National Renewable Energy Laboratory (NREL), Holy Cross Energy (HCE), National Rural Electric Cooperative Association (NRECA) and Survalent are collaborating to enable Cooperative and Municipal utilities to fully leverage DERs as part of their strategies for providing safe, reliable, and affordable electric services to their customers and help meet DOE Grid modernization goal of achieving at least 10% active devices to provide grid flexibility by 2035. This project will use novel real-time control algorithms and approaches for distributed control recently developed under DOE-funded projects, using the date from the Survalent’s basic SCADA engine, GIS and AMI engines deployed at HCE combined with NRECA’s globally-used MultiSpeak(R) software interoperability specification for seamless and real-time communications between electric utility enterprise software to embrace DER as part of their strategies for providing safe, reliable and affordable electric service to their customers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Thermal Hydraulics Analysis of a Divertor Monoblock Using SALAMANDER

Divertors are critical components in magnetic confinement fusion devices. One of the Divertor's crictial roles is absorbing the highest heat flux from the plasma. The Divertor accomplishes this through the use of divertor monoblocks and cooling channels. This work presents a thermal hydraulic analysis of a divertor monoblock using the Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering and Research (SALAMANDER). SALAMANDER is an open source tool developed at Idaho National Laboratory for conducting multiphysics and multscale analysis of Plasma Facing Components (PFCs). For the monoblock, solid heat conduction is modeled in the block with a constant heat flux of 1E7 W/m^2 applied to the top of the block to represent peak heat flux from the plasma. The cooling channel (which is pressurized water at a Reynolds number of ~1,000,000) is modeled using a k-epsilon turbulence model with standard wall functions. The heat transfer between the solid and fluid domain is modeled using the Dittus-Boelter correlation for the convective heat transfer coefficient. This work aims to show the importance of a multiphysics modeling approach when performing simulations on PFCs.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic Plasma Simulation Capabilities in the MOOSE Framework: Verification of Particle-Particle Collisions

High-fidelity simulations of complex plasma systems allow researchers to gain key insights into and understanding of these systems. To facilitate massively parallel high-fidelity plasma simulations, finite-element-based particle-in-cell capabilities are being developed within the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) based framework called Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER). While SALAMANDER’s primary objective is modeling edge plasmas and plasma-facing components in fusion devices, the particle-in-cell capabilities being developed are general and will support modeling low-temperature plasmas as well. Previously, collisionless magnetostatic simulation capabilities have been verified with the two-stream and Dorey-Guest-Harris instabilities, and single particle motion. Collisions were implemented using the direct simulation Monte Carlo method, and verification of this capability will be presented here several verification problems: relaxation of a randomly initialized gas to a Maxwellian distribution, Fourier heat flow, and comparison of reaction rates to both analytic calculations and those calculated using a multi-term Boltzmann solver.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cyberattack Detection and Mitigation on Central Volt‐VAr Using Circuit Law and Machine Learning

ABSTRACT In a distribution grid, voltage is maintained within a nominal range through a Volt‐VAr function that controls capacitor banks, reactive power of distributed energy resources (DER), and on‐load tap changers (OLTC). Availability of communications helps with the implementation of central Volt‐VAr control; however, it also opens the system to cyberattacks, causing voltage disturbances. Previous work has shown the adverse impacts of false data injection (FDI) on the central Volt‐VAr control; however, very few works have studied methods to detect and mitigate FDI on Volt‐VAr control. This paper addresses gaps in the detection and mitigation of FDI on the measurement packets of a central Volt‐VAr control. This work uses a two‐stage algorithm for cyberattack detection since the accuracy of a single‐stage machine learning (ML)–based detection method decreases while dealing with unseen data. The first stage is based on the verification of measurements against circuit laws, and the second stage utilizes a tree search algorithm and an ML method to detect the falsified data. This paper compares long short‐term memory (LSTM) and bidirectional LSTM (BiLSTM) as the employed ML algorithms. Finally, the mitigation algorithm replaces the falsified data with the estimated output of the ML algorithm. The effectiveness of the proposed method is tested for several cases using the IEEE 13‐bus test system in PSCAD software.

Beikbabaei, Milad [Bradley Department of Electrica↗

Calculating topological properties of artificial graphene in B-field

SAND2025-03258O Calculating topological properties of artificial graphene in B-field is a user-friendly tool designed to analyze artificial graphene systems influenced by magnetic fields. It helps researchers understand the unique properties of these materials by calculating the local Chern marker, a key indicator of their behavior. With just one file, this software runs easily on any device with Matlab, making it accessible for scientists and engineers. It provides valuable insights into the electronic characteristics of artificial graphene, which supports advancements in material science and technology, paving the way for innovative applications in electronics and beyond. 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.

Spataru, Dan [Sandia National Lab. (SNL-CA), Liver↗

Tusqh

SAND2025-00675O Tusqh is a software tool that generates cubical meshes in 2D and 3D and computes the homology of these meshes using persistent homology. It includes a grid cell in the output if its volume-fraction is above a selectable threshold, estimated by sampling points within the cell. Tusqh incorporates anti-aliasing algorithms to mitigate grid orientation and scale effects. It is designed for creating finite element meshes for simulations and can be used in various applications such as heat diffusion, mechanical simulations, and computer graphics rendering. The software outputs meshes in an open format compatible with downstream software. 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.

SciDAC↗

Wholesale Electricity Analysis via Simulation & Learning Experiments (WEASLE): Platform Development and Pilot Competition

This document reports the development of the Wholesale Electricity Analysis via Simulation and Learning Experiments (WEASLE) platform and the pilot competition that was conducted to test the platform. Due to the increasing reliance on variable renewable energy resources for bulk power, the pilot competition, called the Energy Storage Participation Algorithm Competition (ESPA-Comp), was used to test the effect of various market designs on storage utilization and market efficiency. Basic details of the platform are provided, including an overview of the market clearing engine, the battery dispatch and degradation models, electric grid topology and resource mix, and software architecture. Two market designs were tested: a two-settlement market analogous to typical ISO design today, and a multi-settlement market that allows additional forward-trading periods during the real-time market. Results from the pilot competition show that the storage bidding problem is nontrivial and is well suited for future challenges. We find that: 1) all four teams utilized different approaches to the bidding problem, 2) different methodological approaches led to substantially different offer behaviors, 3) resource profits are clustered by team and methodological approach, 4) simulated offers reduced market surplus by about 0.5%, 5) substantially different prices between two-settlement and multi-settlement markets albeit minimal difference in overall market surplus.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-Fidelity Analysis of EV Integration on Real Utility Feeders in Colorado

Residential electric vehicle (EV) charging has the potential to alter long-held assumptions on load characteristics impacting distribution grid planning, operations, and design standards. This study identifies analysis and control methods to increase the affordability of residential EV charging both for Xcel Energy and their customers. The project also provides solutions for more reliable grid interconnection that can support a reliable utility business model prepared for increasing EV charging load in the coming years. For this project, we referenced Level 2 alternating current (AC) onboard charging profiles for various vehicle models and high-fidelity charging data collected at the experimental setup established at the EV Research Infrastructure Laboratory at the National Renewable Energy Laboratory (NREL). Next, we developed EV adoption models for 2030 and 2040 for the Boulder and Aurora regions in Colorado. Moreover, we evaluated different smart charging control algorithms and compared their performance. We developed time-of-use (TOU)-based and grid-aware active EV charging control methods and integrated them within the study region to understand field impacts. Diving deeper, we selected 10 feeders in Boulder and Aurora for high-fidelity grid modeling down to the house level. We executed detailed grid analysis comparing the smart charge management (SCM) algorithms we developed. Finally, we created a novel tool, Electric Vehicle Infrastructure--Distribution System Integration Tool (EVI-DiST), to integrate all the approaches in a single software environment to provide easy integration, fast simulation, and detailed evaluation capability for utility engineers and other stakeholders.

33 ADVANCED PROPULSION SYSTEMS↗

ON THE EFFECTIVENESS OF LLMS IN UNIT TEST GENERATION FOR STRUCTURED TEXT PROGRAMS

The reliability of industrial automation systems heavily depends on the correctness of Programmable Logic Controller (PLC) programs, which are often written in Structured Text (ST). While Large Language Models (LLMs) have shown promise in automating test generation for mainstream programming languages, their effectiveness for the syntactically strict ST language remains underexplored. This thesis presents a systematic empirical evaluation of three state-of-the-art LLMs—GPT-4o, Gemini 2.5 Pro, and Claude Sonnet 4.5—for generating ST unit tests. We examine three prompting strategies: Natural Language (NL), Code Language (CL), and Chain-of-Thought (CoT), across a curated set of 11 ST function blocks. The quality of the generated tests is assessed using Compilation Success Rate (CSR), Statement Coverage (SC), and Branch Coverage (BC). In the zero-shot setting, Claude Sonnet 4.5 achieves the highest CSR, while Gemini 2.5 Pro consistently delivers the best statement and branch coverage, particularly under CL prompts. By incorporating a one-shot CL prompt, all models exhibit substantial improvements—most notably GPT-4o, whose CSR increases from 45.45% to 90.91%, with substantial gains in both SC and BC. To further contextualize these findings, we compare GPT-4o’s one-shot results with PLCAutoTester, a state-ofthe- art ST unit test generation tool, on an additional benchmark dataset. While LLMgenerated tests approach competitive coverage levels, PLCAutoTester maintains significantly higher and more stable coverage across programs. This study provides the first comprehensive benchmark of modern LLMs for ST unit testing, highlighting their strengths, limitations, and improvements through one-shot prompting, and positioning their performance relative to specialized automated testing tools in industrial automation.

42 ENGINEERING↗

SITCOMTN-149: An Interim Report on the LSSTComCam On-Sky Campaign

From 24 October to 11 December 2024, the NSF-DOE Vera C. Rubin Observatory conducted an on-sky campaign using the engineering LSST Commissioning Camera (LSSTComCam) to test the end-to-end functionality of hardware and software, as well as operational procedures. This interim report provides a preliminary technical overview of our understanding of the integrated system performance based tests and analyses conducted during the LSSTComCam on-sky campaign. The objectives are to synthesize what we have learned about the system in a timely way to inform on-going commissioning efforts, and to inform the Rubin science community on the progress of the LSSTComCam on-sky campaign. The report is organized into sections to describe major activities during the campaign, as well as multiple aspects of the demonstrated system and science performance. All of the results presented here are to be understood as work in progress using engineering data and the initial versions of the data processing pipelines; the report is a living document that will be updated as analyses are refined.

79 ASTRONOMY AND ASTROPHYSICS↗

Architector 2.0: Expanded Capabilities for Metal Complex Engineering

Automated three-dimensional molecular construction from two-dimensional graph representations is critical to high-throughput discovery eIorts. Software capabilities in this area have accelerated research across fields ranging from protein design and drug discovery to transition metal catalyst development. When Architector was first introduced, it uniquely enabled high-throughput, chemically relevant three-dimensional construction of f-element complexes. Since its introduction, Architector has been applied in large-scale computational campaigns, targeted studies in critical mineral extraction, and artificial intelligence-driven discovery eIorts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗