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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Model Based Approach to Extract Health Information from Textual Data

In current nuclear power plants (NPPs) a large amount of condition-based data is being generated and stored to assess and monitor component health and performance. The format of this data can be either numeric (e.g., pump vibration data) or textual (e.g., condition report which assess component health). While assessing component health from numeric data can be performed with a large variety of methods, the extraction of information from textual data still remains a challenge. Natural language processing (NLP) methods are starting to be deployed in current NPPs mainly to filter out incident reports (IRs) that are not safety related by employing supervised machine learning methods. However, these methods do not really provide the quantitative information that might be contained in IRs. This paper presents an approach to extract information from textual data (e.g., from IRs, maintenance reports) that is based on NLP data analytics methods coupled with model-based system engineer (MBSE) models. NLP methods are employed to perform syntactic and semantic analyses. Syntactic analysis analyzes the grammatical structure of a sentence; such analysis includes: part of speech (POS) tagging (i.e., identification of grammatic elements of each string - e.g., nouns, verbs), named entity recognition (i.e., identification of text entities - e.g., names, dates, events), and relation extraction (e.g., coreference resolution). On the other hand, semantic analysis is designed to analyze the logic structure of a sentence. Through a specific set of rules, our methods can identify whether a sentence contains health information of a component (e.g., degraded performance, anomaly behavior) or the causal relationship between two events (i.e., a cause-effect pair). An innovative element of our approach is that semantic analysis relies on MBSE models to identify links between textual elements. MBSE are diagrams designed to represent system and component dependencies (from both a form and functional point of view). In our approach, MBSE models emulate system engineer knowledge about component/system architecture. This paper presents in detail how the integration of NLP methods and MBSE models is performed. Few analysis examples focusing on centrifugal pumps are presented.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Development of a conduction-based model for analyzing frozen startup of alkali-metal heat pipes

One key area of interest in heat pipe modeling/simulation is to analyze the startup behavior of the liquid-metal heat pipes (LMHPs) from a frozen state. This so-called ‘frozen startup’ process involves a complex set of nonlinear mass and heat transport phenomena, including phase transitions from solid to liquid and vapor, multiphase interactions, microporous wick flow, and compressible vapor dynamics. The complexity of these processes makes it challenging to simulate LMHP’s frozen startup using conventional numerical methods or commercial computational fluid dynamics (CFD) software. This paper presents a simplified conduction-based modeling approach that can provide practical insights into the entire LMHP frozen startup process, while alleviating the challenges of modeling its complex physics. The theoretical foundation and physical assumptions of the proposed model are based solely on heat-conduction equation, allowing for a more tractable simulation without sacrificing essential physical accuracy. The proposed model was implemented in a commercial CFD software, and its prediction was compared with the experimental data obtained from sodium heat-pipe startup experiments. The comparison highlights the proposed model's ability to capture the transient thermal behavior of LMHP during frozen startup. This study not only validates the conduction-based frozen startup modeling method but also shows its potential as a practical and efficient tool for understanding the startup performance of the LMHP systems.

Microreactor↗
DOE OSTI2025

XCal: model-based approach to X-ray CT spectral calibration

Transmission X-ray computed tomography (CT) is widely used to quantitatively reconstruct 3D objects composed of multiple materials. However, accurate CT reconstruction requires the system to be calibrated to account for the effective X-ray spectrum. Unfortunately, measurement of the effective spectrum is ill-posed, and existing calibration methods require that the system be recalibrated when the system parameters are changed. In this paper, we propose XCal, a multi-energy model-based spectral calibration approach for X-ray CT. The XCal approach models the effective spectrum using a separable physics-based model of the CT system. The model parameters are then estimated by fitting calibration data with known objects at multiple energies. An important advantage of XCal is that it allows the user to change scanner settings, such as the source voltage or X-ray filters, without the need for recalibration. Evaluations on simulated and measured datasets demonstrate that XCal significantly improves the accuracy of the estimated spectrum as compared to existing calibration methods.

Li, Wenrui [Purdue Univ., West Lafayette, IN (Unit↗
DOE OSTI2024

Agent-Based Model of Combined Community- and Jail-Based Take-Home Naloxone Distribution

Importance Opioid-related overdose accounts for almost 80 000 deaths annually across the US. People who use drugs leaving jails are at particularly high risk for opioid-related overdose and may benefit from take-home naloxone (THN) distribution. Objective To estimate the population impact of THN distribution at jail release to reverse opioid-related overdose among people with opioid use disorders. Design, Setting, and Participants This study developed the agent-based Justice-Community Circulation Model (JCCM) to model a synthetic population of individuals with and without a history of opioid use. Epidemiological data from 2014 to 2020 for Cook County, Illinois, were used to identify parameters pertinent to the synthetic population. Twenty-seven experimental scenarios were examined to capture diverse strategies of THN distribution and use. Sensitivity analysis was performed to identify critical mediating and moderating variables associated with population impact and a proxy metric for cost-effectiveness (ie, the direct costs of THN kits distributed per death averted). Data were analyzed between February 2022 and March 2024. Intervention Modeled interventions included 3 THN distribution channels: community facilities and practitioners; jail, at release; and social network or peers of persons released from jail. Main Outcomes and Measures The primary outcome was the percentage of opioid-related overdose deaths averted with THN in the modeled population relative to a baseline scenario with no intervention. Results Take-home naloxone distribution at jail release had the highest median (IQR) percentage of averted deaths at 11.70% (6.57%-15.75%). The probability of bystander presence at an opioid overdose showed the greatest proportional contribution (27.15%) to the variance in deaths averted in persons released from jail. The estimated costs of distributed THN kits were less than $\$$15 000 per averted death in all 27 scenarios. Conclusions and Relevance This study found that THN distribution at jail release is an economical and feasible approach to substantially reducing opioid-related overdose mortality. Training and preparation of proficient and willing bystanders are central factors in reaching the full potential of this intervention.

Tatara, Eric [Argonne National Laboratory (ANL), A↗
DOE OSTI2025

Simulating nationwide coupled disease and fear spread in an agent-based model

Human cognitive responses, behavioral responses, and disease dynamics co-evolve over the course of any disease outbreak, and can result in complex feedbacks. We present a dynamic agent-based model that explicitly couples the spread of disease with the spread of fear surrounding the disease, implemented within the EpiCast simulation framework. EpiCast models transmission within a realistic synthetic population, capturing individual-level interactions. In our model, fear propagates through both in-person contact and broadcast media, prompting individuals to adopt protective behaviors that reduce disease spread. In order to better understand these coupled dynamics, we create and compare a range of compartmental models to ensure that introducing additional disease states does not prevent the emergence of multiple waves in these simpler models. Additionally, we compare a range of behavioral scenarios within EpiCast, varying the level and intensity of fear and behavior change. Our results show that the addition of asymptomatic, exposed, and pre-symptomatic disease states can impact both the rate at which an outbreak progresses and its overall trajectory in compartmental models. In EpiCast, the combination of non-local fear spread via broadcasters and strong behavioral responses by fearful individuals generally leads to multiple epidemic waves, an outcome that occurs only within a narrow parameter range when fear spreads purely through local contact. Accounting for the coupled spread of fear and disease is critical for understanding disease dynamics and designing timely, targeted responses to emerging infectious threats.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Latent Pitfalls in Microstructure-Based Modeling for Thermally Aged 9Cr-1Mo-V Steel (Grade 91)

A case study was conducted on a mechanistic model development that predicted tensile strength deterioration with thermal aging of 9Cr-1Mo-V steel in supporting the 60-year design life expected for advanced nuclear reactors. For property prediction beyond practical testing times, mechanistic modeling is highly desired, as it taps into the physics of structure–property relationships and therefore can generate reliable results for extrapolation. Meanwhile, as mechanistic models are often complicated, reflecting the intricacy of microstructure and strengthening mechanisms, pitfalls that are difficult to detect often exist. Here, this paper discusses latent pitfalls that are common in mechanistic modeling or specific in this 9Cr-1Mo-V case development through using the American Society of Mechanical Engineers verification and validation in computational solid mechanics (ASME V&V 10) standard for evaluating credibility of modeling in materials engineering. Suggestions are also made for enhancing reliability of microstructure-based modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Model-Based Systems Engineering Approach for Effective Decision Support of Modern Energy Systems Depicted with Clean Hydrogen Production

A holistic approach to decision-making in modern energy systems is vital due to their increase in complexity and interconnectedness. However, decision makers often rely on narrowly-focused strategies, such as economic assessments, for energy system strategy selection. The approach in this paper helps considers various factors such as economic viability, technological feasibility, environmental impact, and social acceptance. By integrating these diverse elements, decision makers can identify more economically feasible, sustainable, and resilient energy strategies. While existing focused approaches are valuable since they provide clear metrics of a potential solution (e.g., an economic measure of profitability), they do not offer the much needed system-as-a-whole understanding. This lack of understanding often leads to selecting suboptimal or unfeasible solutions, which is often discovered much later in the process when a change may not be possible. This paper presents a novel evaluation framework to support holistic decision-making in energy systems. The framework is based on a systems thinking approach, applied through systems engineering principles and model-based systems engineering tools, coupled with a multicriteria decision analysis approach. The systems engineering approach guides the development of feasible solutions for novel energy systems, and the multicriteria decision analysis is used for a systematic evaluation of available strategies and objective selection of the best solution. The proposed framework enables holistic, multidisciplinary, and objective evaluations of solutions and strategies for energy systems, clearly demonstrates the pros and cons of available options, and supports knowledge collection and retention to be used for a different scenario or context. The framework is demonstrated in case study evaluation solutions for a novel energy system of clean hydrogen generation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Graph-Based Modeling for the Detection and Tracking of Sarin-Surrogate-Induced Neurotoxicity Using a Human-Relevant, In-Vitro Brain Model

Organophosphorus (OP) nerve agents are a chemical threat to the United States, to the civilian population (e.g., pesticides) and historically weaponized (e.g., sarin) as chemical warfare agents. The unprecedented, accelerated process from “bench-to-bedside” during the SARSCov2 pandemic has made it clear that technology and tools need to be readily available for immediate response. Advances in human organ tissue mimetic systems are a promising technology to evaluate the human-relevant response in vitro for basic and applied research and drug screening. In particular, current brain microphysiological systems (MPS) have the capability to monitor and detect changes in engineered human neural circuit activity. However, current data analytics approaches for these systems lack the granularity to functionally detect and distinguish the different mechanisms that occur in the brain following neurotoxicity, injury, and disease. The goal of this project was to advance the computational analytical capabilities of the brain MPS to detect functional changes in neural circuit structure at different stages of Sarin surrogate-induced neurotoxicity. We developed graph-based models to (1) identify the composition of the neural circuit structure; (2) detect and monitor how this structure changes following sarin-induced neurotoxicity; and (3) evaluate the analytical pipeline using known/promising oxime reactivators. Through experiments on the bMPS where in vitro neuronal cultures were exposed to a sarin surrogate, we demonstrated the capabilities of our computational pipeline to identify different responses in the functional networks of brain cells exposed to low and high concentrations of the nerve agent. We identified a biphasic response of human neural network activity following exposure to a sarin-surrogate that had not been reported in the literature before. The graph-based models and software developed in this project can be used for future studies that leverage the brain MPS technology, such as treatment efficacy assessment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A tutorial review of machine learning-based model predictive control methods

Abstract This tutorial review provides a comprehensive overview of machine learning (ML)-based model predictive control (MPC) methods, covering both theoretical and practical aspects. It provides a theoretical analysis of closed-loop stability based on the generalization error of ML models and addresses practical challenges such as data scarcity, data quality, the curse of dimensionality, model uncertainty, computational efficiency, and safety from both modeling and control perspectives. The application of these methods is demonstrated using a nonlinear chemical process example, with open-source code available on GitHub. The paper concludes with a discussion on future research directions in ML-based MPC.

Wu, Zhe [Department of Chemical and Biomolecular E↗
DOE OSTI2025

Surrogate modeling of Cellular-Potts agent-based models as a segmentation task using the U-Net neural network architecture

The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the explicit modeling of interactions among large numbers of individual model agents and diffusive fields described by partial differential equations (PDEs). In this work, we develop a convolutional neural network (CNN) surrogate model using a U-Net architecture that accounts for periodic boundary conditions. We use this model to accelerate the evaluation of a mechanistic CPM previously used to investigate in vitro vasculogenesis. The surrogate model was trained to predict 100 computational steps ahead (Monte-Carlo steps, MCS), accelerating simulation evaluations by a factor of 562 times compared to single-core CPM code execution on CPU. Over short timescales of up to 3 recursive evaluations, or 300 MCS, our model captures the emergent behaviors demonstrated by the original Cellular-Potts model such as vessel sprouting, extension and anastomosis, and contraction of vascular lacunae. This approach demonstrates the potential for deep learning to serve as a step toward efficient surrogate models for CPM simulations, enabling faster evaluation of computationally expensive CPM simulations of biological processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bayesian calibration of stochastic agent based model via random forest

SAND2024-11403O The Bayesian Calibration of Stochastic Agent-based Model via Random Forest is a code that was developed in concurrence with an article by the same name that was written for a journal. The code reproduces simulation results and plots from the article. 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↗
DOE OSTI2026

ReMU: regional minimal updating for model-based derivative-free optimization

Derivative-free optimization (DFO) problems are optimization problems where derivative information is unavailable or extremely difficult to obtain. Model-based DFO solvers have been applied extensively in scientific computing. Powell's NEWUOA (2004) [Powell, The NEWUOA software for unconstrained optimization without derivatives, in Large-Scale Nonlinear Optimization, Nonconvex Optimization and its Applications Vol. 83, G. Di Pillo and M. Roma, eds., Springer, 2006, pp. 255–297] and Wild's POUNDerS (2014) [Wild, Solving derivative-free nonlinear least squares problems with POUNDERS, in Advances and Trends in Optimization with Engineering Applications, T. Terlaky, M.F. Anjos, and S. Ahmed, eds., SIAM, 2017, pp. 529–540] explore the numerical power of the minimal norm Hessian (MNH) model for DFO and contributed to the open discussion on building better models with fewer data to achieve faster numerical convergence. Another decade later, we propose the regional minimal updating (ReMU) models, and extend the previous models into a broader class, including the H 2 norm models [Xie and Yuan, Least H 2 norm updating of quadratic interpolation models for derivative-free trust-region algorithms, IMA J. Numer. Anal. 46 (2025), pp. 21–50]. This paper shows motivation behind ReMU models, computational details, theoretical and numerical results on particular extreme points and the barycentre of ReMU's weight coefficient region, and the associated KKT matrix error and distance. Novel metrics, such as the truncated Newton step error, are proposed to numerically understand the new models' properties. A new algorithmic strategy, based on iteratively adjusting the ReMU model type, is also proposed, and shows numerical advantages by combining and switching between the barycentric model and the classic least Frobenius norm model in an online fashion.

derivative-free trust-region methods↗
DOE OSTI2026

Reverse Logistics Ev Battery Recycling Agent Base Model

This represents the initial regional tier of the electric vehicle (EV) battery recycling agent base model. Through this model, we can ascertain the number of EV purchases at both the state and regional levels. We employ census data to develop a diverse household profile to inform decisions regarding the acquisition of new or used EVs. The number of EV purchases at the state level will affect the future demand for recycling, reuse, and repurposing of end-of-life EV batteries. Additionally, tax credits, EV rebate programs, and the financial capacity of households will influence the number of EV purchases, thereby further impacting the demand for EV battery recycling.

Alam, Lamia [Idaho National Laboratory (INL), Idah↗
DOE OSTI2024

Model-based optimization strategies for direct hydrogenation of carbon dioxide to dimethyl ether

Here, this study discusses model-based optimization strategies for CO 2 hydrogenation to dimethyl ether (DME) over aCuZnZr (CZZ) and ferrite (FER) mixed catalyst system in a packed-bed reactor configuration. A two-dimensional axisymmetric, nonisothermal packed-bed reactor model was developed using COMSOL Multiphysics 6.2 software. The model solves two-dimensional (radial and axial) heat and mass transport equations in the packed-bed and integrates intraparticle diffusion and heat transfer in a 1D approach. This powerful feature differs from a traditional porous media approach and takes into account any heat and mass transfer limitations that may exist. Analysis shows that the heat transfer limitations are negligible, but strong internal mass transfer limitations were observed at 10 ≤ WHSV ≤ 90 h -1 on the FER catalyst and at 240 °C. The optimum catalyst composition (i.e., mixing ratio) varies depending on the operating regime. The FER catalyst weight in the mixture can be as low as 5 wt.%, but the ideal composition de-pends on the internal mass transfer limitation and its relationship with the operating regime (i.e., weight hourly space velocity, temperature). A catalyst composition of 80 wt.% CZZ and 20 wt.% FER was suggested; this composition can provide high CO 2 conversion and DME production rates at a wide range of temperatures and flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Benefits of Dual Fuel Heat Pump Grid-responsive Control: A Model-based Control Optimization Approach Using Building and Equipment Co-simulation

Conventional dual fuel heat pumps lack the intelligent control mechanisms to efficiently manage the switch between heat pump and furnace, leading to sub-optimal energy usage and, in some cases, increased operating costs. To resolve this gap, this study applies optimized control on hybrid heat pumps. With a focus on equipment control strategies, we compare the performances of five spacing heating equipment, including a conventional heat pump (HP), a conventional furnace, a dual fuel heat pump (DFHP) with conventional control, a dual fuel heat pump with smart control, and a novel seamlessly fuel flexible heat pump (SFFHP). While DFHP runs on either gas or electricity at any given moment, SFFHP concurrently consumes gas and electricity by continuously optimizing the proportion of each. In this research, a co-simulation framework is developed by integrating a building envelope model with a physics-based heat pump simulation model to analyze the benefits of grid-responsive controls of DFHP and SFFHP. The model-based optimal controls adjust the operation of the heat pump and gas furnace based on utility price signals and marginal grid emission to minimize utility cost and CO 2 emissions for multiple climate zones, different utility tariffs, and marginal grid emission scenarios. Case studies in Chicago and Los Angeles demonstrate that SFFHP and DFHP, with model-based optimal control, can deliver significant reductions in peak demand, utility cost, and CO 2 emission. In Chicago, SFFHP and smart controlled DFHP yield up to 64.7% and 61.7% utility cost reduction and up to 15.7% and 8.5% CO 2 emission reduction compared to the gas furnace. In Los Angeles, SFFHP and smart controlled DFHP achieve up to 43.6% and 40.1% utility cost reduction and up to 13.8% and 14.1% CO2 emission reduction compared to conventional heat pumps. In conclusion, by leveraging the fuel flexibility nature of dual fuel heat pumps, the model-based control optimization approach makes dual fuel heat pump an attractive option for demand response programs.

Control↗
DOE OSTI2025

Validating Greater Sage-Grouse Individual-based Model (IBM) Tool (Final Report)

The project focused on validating the previously developed Greater Sage-Grouse Individual-based Model (GrSG IBM; LaGory et al. 2012, 2021). The objective was to transform this predictive, spatially and temporally explicit model into a portable resource to assist siting/resource managers in proactively assessing the cumulative impacts of wind energy development on the greater sage-grouse. Utilizing a bottom-up, individual-based approach, the GrSG IBM accounts for landscape context and species behavior, aiming to reduce uncertainty in estimating development impacts and support ecologically mindful land-based wind energy development. The validation effort covered approximately 6,540 km 2 near the Seven Mile Hill Wind Project in Wyoming. The GrSG IBM tool, built on the NetLogo platform (Tisue and Wilensky 2004), was executed over a 50-year period, with the analysis focusing on years following a 10-year initialization phase. Key results demonstrated the tool’s biological soundness across five key biological metrics: non-chick age class distribution (older than 10 weeks), adult sex ratio, life expectancy, population size, and overall population growth. For instance, the tool estimated that 58.6% of the non-chick population was reproductively immature, while the reference ranges from 51.4% to 57.8% (Patterson 1952, Rogers 1964). Experts confirmed the tool’s estimate was within a reasonable range for the species. The tool estimated average life expectancy of 1.43 years, while the reference ranges from 0.9 years to 1.1 years (Ammann 1957, Hamerstrom 1949). Experts also supported the model’s life-expectancy estimate as ecologically sound for the species in the study area. In terms of population change, the model estimated an annual shift between a 0.6% decline and a 1.0% increase over 50 years. While the reference suggests 2.9% annual decline in range-wide populations (Cortes et al. 2023), that includes many at-risk populations in South Dakota and Washington, for example. Our study area—in the northeastern part of Carbon County and western-edge of Albany County, Wyoming—is one of the remaining greater sage-grouse habitats supporting some of the most stable populations. Experts confirmed that the range of the annual population change spanning from a 0.6% decline to a 1.0% increase estimated by the tool was reasonable for our study area for this reason and confirmed that aligned with population estimates from existing studies on the greater sage-grouse and wind energy development in the study area (LeBeau et al. 2017a, Smith et al. 2024). Furthermore, the project showed that temporally explicit biological metrics generated by the GrSG IBM tool can complement the USGS’ Prioritizing Restoration of Sagebrush Ecosystems Tool (PReSET; Duchardt et al. 2021) by incorporating habitat restoration strategies into seasonal habitat suitability models to visualize population responses over time.

17 WIND ENERGY↗
DOE OSTI2026

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan↗
DOE OSTI2026

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗