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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 163 records · Page 9

Multi-agent voltage control in distribution systems using GAN-DRL-based approach

Active distribution grids can experience voltage fluctuations and violations due to the high penetration of variable distributed energy resources (DERs). These problems might occur because of the uncertain and variable generation natures of these resources, especially solar photovoltaic resources, during panel shadowing scenarios. Volt-VAR control (VVC) is an efficient method that controls the reactive power set-points of the inverters to regulate the voltage of distribution grids. Although several VVC approaches have been proposed recently, the performance of these approaches degrades significantly if behind-the-meter solar generation data are unobservable/missing. Therefore, it is necessary to impute missing/unobservable PV data accurately to be utilized in VVC approaches. Further, this paper proposes a model-free, data-driven, centrally trained, and decentrally executed multi-agent deep reinforcement learning-based VVC architecture to regulate the voltage of distribution networks. A generative adversarial network (GAN) is incorporated to impute the unobservable PV data accurately, which improves the performance of the proposed control architecture. The proposed multi-agent-soft-actor–critic algorithm (MASAC)-based VVC technique utilizes the actual PV dataset as well as the imputed dataset from the GAN framework to learn the optimal coordinated control policy for controlling the optimal reactive power set-points of PV inverters. The effectiveness of the proposed approach is analyzed on a modified IEEE 34-bus test case with added PV inverters. The results are compared and analyzed with a base case model with no VVC and VVC with a local droop control approach, genetic algorithm optimization, and a centralized soft actor–critic-based approach. Moreover, the performance of the proposed approach is compared with that of a multi-agent VVC framework without using the PV generation data and load information as the system state. The results illustrate that the proposed method with more state input improves the voltage profile and reduces the power loss of the network across various loading and PV generation scenarios.

14 SOLAR ENERGY↗

MCP-enabled agentic AI workflow for building energy modelling: framework and use cases

Traditional building energy modelling workflows remain labor-intensive and error-prone, requiring specialized expertise that limits broader adoption. This paper introduces a novel Model Context Protocol (MCP)-enabled framework that connects AI assistants to EnergyPlus through MCP, a standardized interface for tool invocation and context management. Two complementary integration paradigms are presented and compared: conversational integration, where users interact through natural language while an AI assistant orchestrates MCP tools on demand, and agentic workflow integration, where specialized agents coordinate autonomously to complete multi-step tasks. Using an experimental testbed for residential buildings, the end-to-end workflows are demonstrated. The conversational approach reduced typical inspection and modification tasks from 1-2 h to under 15 min, while maintaining full transparency through visible tool invocations. The agentic approach automated parametric analysis. These demonstrations establish MCP as a foundational layer for AI-assisted building energy modelling, enabling natural language interactions with simulation tools while preserving professional oversight and decision-making authority.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The EO-1 Autonomous Science Agent Architecture

An Autonomous Science Agent is currently flying onboard the Earth Observing One Spacecraft. This software enables the spacecraft to autonomously detect and respond to science events occurring on the Earth. The package includes software systems that perform science data analysis, deliberative planning, and run-time robust execution. Because of the deployment to a remote spacecraft, this Autonomous Science Agent has stringent constraints of autonomy, reliability, and limited computing resources. We describe these constraints and how they are reflected in our agent architecture.

Earth Observing One (EO-1)↗

Clutter Assessment for an Autonomous Multi-Agent Search Mission

This paper presents a method for evaluating the amount of clutter in a region where autonomous vehicles in a multi-agent system must operate based on LIDAR point cloud measurements. The point cloud is used to generate an occupancy grid which is then projected onto a 2D plane of vehicle motion, constituting an image. A series of Gaussian radial basis functions (GRBFs) is created, each centered at an occupied pixel in a 2D image, and summed together to form the clutter field. The clutter field is a representation of the density and permeability of the space at each coordinate. The clutter field is then approximated such that iso-clutter contours are simple geometric objects so that intelligent machine assets can easily query the distance between them and any given point in an environment. In this way, agents are able to determine whether to enter into or steer away from areas of interest. Each vehicle has a clutter threshold representing the clutter value of the space in which it can safely maneuver. The iso-clutter contour corresponding to a vehicle’s clutter threshold is treated as the boundary of an obstacle to be avoided. A simulation is presented where a multi-agent system is tasked with persistent observation of a cluttered area. Each vehicle in the simulation has a different clutter threshold. The vehicles use a potential field-based guidance algorithm, and an allocation of vehicles to specific regions of the space emerges.

multi-agent↗

Multi-agent AI collaboration for digital twin development and assessment

Developing a digital twin (DT) model involves different steps that encompass formulating requirements, model development, implementation, and assessment with respect to real applications. Human expertise is required to coordinate and implement different steps in the DT development and assessment process. However, certain parts of this process can be automated using artificial intelligence (AI) agents for efficient workflow development. In this work, we test and analyze a multiagent AI collaboration with humans in the loop to automate different elements of the DT development and assessment process. To implement the workflow for multiagent AI DT development and assessment, we use Autogen, a multiagent framework developed by Microsoft. Autogen offers a modular and flexible framework for configuring and designing task-specific multiagent workflows. In this framework, large language models (LLMs) form the core intelligence of the AI agents where the quality and performance of the automated element is governed by the inherent capabilities and knowledge base of the LLM. We use retrieval augmented generation to supplement the LLM with relevant domain-specific information for DT requirement formulation. We illustrate this multiagent workflow using a case study on a thermal energy storage system, focusing on how AI agents can collaborate with humans to expedite and optimize different elements of DT development and assessment process.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Evaluation of dried blood spot sampling for verification of exposure to chemical threat agents

Abstract Purpose Exposure to chemical threat agents (CTAs), including nerve agents, the vesicating agent sulfur mustard, and opioids, remains a significant threat to warfighter and civilian populations. Definitive analytical methods to verify exposure to CTAs require shipping refrigerated or frozen biomedical samples to reference laboratories for analysis. Logistical and financial burdens arise as the transport of biomedical samples is subject to strict restrictions and complex packaging, which, if done incorrectly, can lead to sample deterioration. The use of dried blood spot (DBS) sampling could provide operational improvements for collecting, storing, and shipping important forensic samples. Therefore, this effort focuses on developing DBS techniques with Mitra® 30-µL volumetric absorptive microsampling (VAMS®) devices for use in CTA exposure verification. Methods VAMS® devices were loaded and dried with human whole blood that was exposed to the metabolites pinacolyl methylphosphonic acid (PMPA), ethyl methylphosphonic acid (EMPA), 1,1’sulfonylbis[2-(methylsulfinyl)ethane] (SBMSE), norfentanyl, norcarfentanil, norsufentanil, and norlofentanil. Following extraction from the VAMS® devices, metabolites were detected using liquid chromatography-tandem mass spectrometry (LC–MS/MS). The methods were validated for performance by assessing sensitivity, precision, accuracy, and recovery. Results These methods were sensitive to 1 ng/mL for SBMSE, 0.5 ng/mL for PMPA, EMPA, and norfentanyl; 0.1 ng/mL for norlofentanil, and 0.05 ng/mL for norsufentanil and norcarfentanil. All methods met acceptable precision and accuracy criteria with favorable recovery. Conclusions These results demonstrated the utility of VAMS® in stabilizing human whole blood and show promise as an improved collection method for verification of exposure to various CTAs.

Toxicology↗

ChemGraph as an agentic framework for computational chemistry workflows

Atomistic simulations are essential in chemistry and materials science but remain challenging to run due to the expert knowledge required for the setup, execution, and validation stages of these calculations. We present ChemGraph, an agentic framework powered by artificial intelligence and state-of-the-art simulation tools to streamline and automate computational chemistry and materials science workflows. ChemGraph leverages graph neural network-based foundation models for accurate yet computationally efficient calculations and large language models (LLMs) for natural language understanding, task planning, and scientific reasoning to provide an intuitive and interactive interface. We evaluate ChemGraph across 13 benchmark tasks and demonstrate that smaller LLMs (GPT-4o-mini, Claude-3.5-haiku, Qwen-2.5-14B) perform well on simple workflows, while more complex tasks benefit from using larger models. Importantly, we show that decomposing complex tasks into smaller subtasks through a multi-agent framework enables GPT-4o to reach perfect accuracy and smaller LLMs to match or exceed single-agent GPT-4o's performance in these benchmarks.

Computational chemistry↗

Deep Multi-Agent Reinforcement Learning for Real-World Signalized Traffic Corridor Control

Signalized traffic control problem has been addressed recently with deep Reinforcement Learning (RL) approaches involving diverse state, action, and reward structures. While significant progress has been noted in the literature, open challenges still remain in the areas of adaptive signal phase timing, coordination in a multi-intersection corridor setting, and consideration of real-world traffic conditions. In the context of deep RL-based problem framing, extensions are needed that enable adaptive signal phase timings in an intersection agent's action space, computationally efficient information sharing among neighboring signalized intersection agents along a corridor, and experimentation in realistic simulation environments. In this paper, we develop a deep Advantage Actor Critic (A2C) multi-agent RL (MARL) approach capturing the research extensions above and apply it within a real-world calibrated Aimsun Next traffic corridor simulation model based on traffic data from the City of Coral Gables, Florida. For a multi-intersection corridor control setting, our numerical simulation experiments with a decentralized A2C MARL algorithm applied at different time periods led to a total average corridor travel delay reduction (expressed in seconds/mile averaged over vehicles) from 4.9% to 19.9% compared to state-of-the-art actuated control.

Shuvo, Salman S. [BATTELLE (PACIFIC NW LAB)]↗

Three‐trophic level food webs support the safety of a biocontrol agent 3 years after release

Biological control (biocontrol) is a powerful tool for managing invasive alien species and assisting the restoration of native ecosystems. Rigorous post‐release monitoring of biocontrol agents is critical to evaluate the success of biocontrol programs; however, this is still rarely implemented. Here, we combined the use of species interaction networks with a Before‐After Control‐Impact design to evaluate the target and non‐target, direct and indirect effects of the Australian gall wasp Trichilogaster acaciaelongifoliae , released to control the invasive plant Acacia longifolia in Portugal. We compared the structure of plant‐galling insect‐parasitoid food webs before and 3 years after the release of the biocontrol agent. Exhaustive sampling did not detect any non‐target effects, either direct (on non‐target plants) or indirect (on other galling insects via shared plants). Additionally, no significant changes were detected in network structure that could be related to the establishment of the biocontrol agent. This study shows that monitoring biocontrol at the community level is possible and that, when carefully planned, biocontrol poses minimal risk of non‐target effects.

López‐Núñez, Francisco A. [Centre for Functional E↗

ARCS: Agentic Retrieval-Augmented Code Synthesis with Iterative Refinement

Agentic Retrieval-Augmented Code Synthesis with Iterative RefinementIn supercomputing, efficient and optimized code generation is essential to leverage high-performance systems effectively. We have developed Agentic Retrieval-Augmented Code Synthesis (ARCS), an advanced framework for accurate, robust, and efficient code generation, completion, and translation. ARCS integrates Retrieval-Augmented Generation (RAG) with Chain-of-Thought (CoT) reasoning to systematically break down and iteratively refine complex programming tasks. An agent-based RAG mechanism retrieves relevant code snippets, while real-time execution feedback drives the synthesis of candidate solutions. This process is formalized as a state-action search tree optimization, balancing code correctness with editing efficiency. Evaluations on the Geeks4Geeks and HumanEval benchmarks demonstrate that ARCS significantly outperforms traditional prompting methods in translation and generation quality. By enabling scalable and precise code synthesis, ARCS offers transformative potential for automating and optimizing code development in supercomputing applications, enhancing computational resource utilization

Bhattarai, Manish [Los Alamos National Labs]↗

CodeScribe Agent

SF-26-086 CodeScribe introduces a structured, multi-stage pipeline that combines deterministic program analysis with LLM-powered translation to enable incremental, testable Fortran-to-C++ migration. First, `code-scribe index` traverses the project directory tree and produces `scribe.yaml` metadata files recording all modules, subroutines, and functions at each level, giving the LLM accurate structural context instead of a hallucinated codebase model. Second, `code-scribe draft` performs the deterministic portion of translation — converting Fortran types to C++ equivalents, replacing `use` statements with `#include` and `using namespace` directives, and detecting constructs requiring special handling — while embedding`scribe-prompt` annotations that guide the LLM through non-trivial cases such as statement-function-to-lambda conversions and `extern "C"` wrapper generation. Third, `code-scribe translate` applies project-specific TOML-based few-shot prompt templates and submits the composed prompt to a pluggable LLM backend (OpenAI, Anthropic, Argonne ARGO, any OpenAI-compatible endpoint, or local Hugging Face checkpoints), producing a C++ source file, a header, and a Fortran-C++ interface file for each translated routine so the codebase compiles and runs correctly throughout the migration. Beyond translation, CodeScribe includes a tool-using coding agent (`code-scribe agent`) with read, bash, edit, and write capabilities, and a bounded loop mode (`code-scribe loop`) that runs repeated stateless agent sessions over a task file with restricted tool access — enabling sustained, auditable software development workflows for broader scientific computing tasks.

Dhruv, Akash [Argonne National Laboratory (ANL), A↗

National Security Programs - Cyber: MMAREJBLIGE – Modular Multi Agent Grid Emulation for Joined Breakdowns in Linked Generative Emulations - 23-0644

Modular Multi Agent Grid Emulations for Joined Breakdowns in Linked Generative Emulations (MMAREJBLIGE) introduces an agent-based modeling framework into real-time cyber-physical emulation to achieve a context-aware environment that introduces operator/attacker/external-condition variability to improve emulation fidelity and testing rigor. We detail our agent framework design, internal communication via message passing, and time synchronization, as well as the individual components of the system. We include a brief analysis of several scenarios run on a real-time, hardware-in-the-loop, Industrial Control Systems (ICS) test-bed which include normal operation, physical disruption, disruption with mitigation, and disruption with mitigation during a cyber denial-of-service (DOS) attack.

42 ENGINEERING↗

Electrodeposition of Tungsten using Hydrotropic Agents

The current work sought to electrodeposit tungsten from water-based solutions. The work’s initial hypothesis was that methoxide reducing agents could be used to generate urea anions that could enable tungsten electrodeposition. Unfortunately, this hypothesis was found to be incorrect. However, the work led to the understanding that chemical reducing agents not only enable the electrodeposition of refractory metals like rhenium from water-based solutions, but that the key to plating tungsten in the future involves chemical reduction followed by stabilization with proper ligands. The work resulted in a manuscript under review at Inorganic Chemistry Communications on the discovered of L-histidine as a suitable reducing agent from rhenium electrodeposition. Rhenium-tungsten alloys with 4% tungsten were deposited. A technical advance was filed for the rhenium chemistry and parts were delivered to an internal Sandia customer that used the chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Expanding Activity Allocation Models to Daily Activities: Tracking Simulated Agent Trips to Exercise Locations in Clarksville, TN

Exercise facilities have been proven to have numerous physical, mental, and psychological benefits, yet exercise facilities are still inaccessible to a large portion of the population. This study serves to explore the accessibility of fitness centres through geographical, demographic, and temporal lenses through an expansion of the UrbanPop framework that seeks to allocate simulated agents to fitness centres in the Clarksville metro to explore the effects of travel distances on different demographics throughout the week. Findings indicate that senior and retired demographics consistently travel longer distances to exercise in the larger Clarksville area, likely due to tendencies to live further from the center of the metropolitan area. Furthermore, all demographics tend to travel further distances to exercise on the weekends rather than the weekdays, indicating that travel distance can affect likelihood of agents to travel, especially on weekdays when many agents are in the workforce or participating in schooling.

99 GENERAL AND MISCELLANEOUS↗

Exploring Large Language Model Agents in Cybersecurity: A Literature Review with Experiments

The accelerated development and integration of large language model (LLM) agents have led researchers and developers to explore their effectiveness in cybersecurity, specifically with penetration testing (pentesting). Recent research efforts have attempted to use LLM agents to automate the process of pentesting because of the cost and time requirements that are required to perform a manual review. However, not all of the tools perform as expected. This paper reviews some of the newest and most popular autonomous pentesting frameworks, highlighting the capabilities and limitations of each one with the goal of providing the components needed to successfully and effectively build an autonomous pentesting agent in the future.

97 MATHEMATICS AND COMPUTING↗

MSD CoP Webinar: "Generative agents: A new frontier for representing human actors and their behavior in MSD models"

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Talk #1: Behavioral Generative Agents for Energy Operations Presenter: Dr. Cong Chen (Thayer School of Engineering, Dartmouth College) Abstract: Accurately modeling consumer behavior in energy operations remains challenging due to inherent uncertainties, behavioral complexities, and limited empirical data. This talk introduces a novel approach leveraging generative agents--artificial agents powered by large language models--to realistically simulate customer decision-making in dynamic energy operations. Talk #2: Simulating multiple human perspectives in socio-ecological systems using large language models Presenter: Dr. Yongchao Zeng (Institute of Meteorology and Climate Research, Atmospheric Environmental Research (IMK-IFU) of the Karlsruhe Institute of Technology in Germany) Abstract: Understanding socio-ecological systems requires insights from diverse stakeholder perspectives. This talk describes a novel simulation system called HoPeS (Human-oriented Perspective Shifting). HoPeS enables model users to not only explore simulated socio-ecological systems (SESs) from a third-person observer's perspective but also take any of the simulated stakeholder roles, like playing an RPG game. By shifting multiple perspectives, model users can reflect and integrate the situated knowledge learned through the participatory simulation, approximating a more holistic and less biased understanding of SESs. Moderators: Jim Yoon (MSD CoP Human Systems Modeling Working Group Co-Chair); Stefano Galelli (MSD CoP Using AI to Enhance MSD Research Working Group Co-Chair); Patrick M. Reed (MSD CoP Facilitation Team) This webinar was held on: November 13th, 2025 from 12-1 PM EST.

Artificial Intelligence↗

Comparative study of choleretic agents in anesthetized rats as well as in restrained and and unrestrained rats, with or without compensation for biliary loss

Tests were conducted on Wistar rats by using 3 control choleretic agents: 1-phenyl-1-hydroxy n-pentane, dehydrocholic acid, and phenyl-dimethylacetic acid. The effects of these agents were compared in different experimental conditions. The comparative study of choleretic agents in anesthetized rats, in restrained and unrestrained rats, with or without compensation for biliary loss by the biliary secretion of restrained or unrestrained rats does not show, in systematic pharmecodynamic investigations, an obvious superiority over the methods based on the simple technique.

Labrid, C.↗

Waterproofing Agents for Silica Tiles

Waterproofing agent methyltrimethoxysilane applied to silica thermal insulation tiles in simple vapor-deposition process. Other waterproofing agents in same series include methylsiloxane and hexamethyldisilazane. Originally developed for insulating tiles for spacecraft, agents also find uses in roofing tiles, insulation for buildings or solar-energy systems, or solar reflectors.

Nakano, H. N.↗