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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Graph-based Simulation Framework for Power Resilience Estimation and Enhancement

The increasing frequency of extreme weather events poses significant risks to power distribution systems, leading to widespread outages and severe economic and social consequences. This paper presents a novel simulation framework for assessing and enhancing the resilience of power distribution networks under such conditions. Resilience is estimated through Monte Carlo simulations, which simulate extreme weather scenarios and evaluate the impact on infrastructure fragility. Due to the proprietary nature of power network topology, a distribution network is synthesized using publicly available data. To generate the weather scenarios, an extreme weather generation method is developed. To enhance resilience, renewable resources such as solar panels and energy storage systems (batteries in this study) are incorporated. A customized Genetic Algorithm is proposed to determine the optimal locations and capacities for solar panels and battery installations, maximizing resilience while balancing cost constraints. Experiment results demonstrate that on a large-scale synthetic distribution network with more than 300,000 nodes and 300,000 edges, the proposed framework can efficiently evaluate the resilience, and enhance the resilience through the installations of distributed energy resources (DERs), providing utilities with valuable insights for community-level power system resilience estimation and enhancement.

Wang, Xuesong [Wayne State Univ., Detroit, MI (Uni↗
DOE OSTI2023

Simulation of Chilled-water Injection at EGS Collab Testbed 2 using the GEOS simulation framework

This work seeks to model the chilled-water injection that occurred at EGS Collab Testbed 2 as part of experiment 3, using the open-source GEOS simulation framework. Modeling of this process, previously conducted using STOMP-GT, confirmed that thermal breakthrough was expected to occur during the chill water injection and may have been masked by strong Joule-Thompsons effects induced by large pressure drops between the fractures and the production wells. Building a GEOS numerical model of this process will allow to include additional physics. In fact, GEOS can model fully coupled thermo-poromechanical processes in fractured porous media and can be employed to model the process of artificially enhancing rock permeability by hydraulically fracturing the rocks. For example, the GEOS model could help understanding the dynamic nature of the EGS collab experiment 3 flow system. Since the limited time and resources do not allow for an extensive study, the focus is on building a baseline model of this process. As such, the main outcomes of this modelling efforts are listed below.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Scalable Data Management of the Uintah Simulation Framework for Next-Generation Engineering Problems with Radiation

The need to scale next-generation industrial engineering problems to the largest computational platforms presents unique challenges. This paper focuses on data management related problems faced by the Uintah simulation framework at a production scale of 260K processes. Uintah provides a highly scalable asynchronous many-task runtime system, which in this work is used for the modeling of a 1000 megawatt electric (MWe) ultra-supercritical (USC) coal boiler. At 260K processes, we faced both parallel I/O and visualization related challenges, e.g., the default file-per-process I/O approach of Uintah did not scale on Mira. In this paper we present a simple to implement, restructuring based parallel I/O technique. We impose a restructuring step that alters the distribution of data among processes. The goal is to distribute the dataset such that each process holds a larger chunk of data, which is then written to a file independently. This approach finds a middle ground between two of the most common parallel I/O schemes–file per process I/O and shared file I/O–in terms of both the total number of generated files, and the extent of communication involved during the data aggregation phase. To address scalability issues when visualizing the simulation data, we developed a lightweight renderer using OSPRay, which allows scientists to visualize the data interactively at high quality and make production movies. Finally, this work presents a highly efficient and scalable radiation model based on the sweeping method, which significantly outperforms previous approaches in Uintah, like discrete ordinates. The integrated approach allowed the USC boiler problem to run on 260K CPU cores on Mira.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Advanced co-simulation framework for assessing the interplay between occupant behaviors and demand flexibility in commercial buildings

With buildings contributing significantly to electricity usage, enabling demand flexibility becomes a challenge, especially when accounting for occupant comfort. This study introduces an innovative co-simulation framework integrating multiple models: heating, ventilation, and air conditioning (HVAC) system, building zone load, indoor airflow, supervisory control, and occupant comfort and behavior. Uniquely, this framework allows for a comprehensive and dynamic analysis of building systems and occupant interactions in demand response events. Using this framework, we conducted a case study using a typical small office building model. Specifically, we focused on three areas: (1) the impact of indoor airflow modeling on energy use, occupant comfort, and behaviors forecasting, (2) the impact of occupant behaviors on demand flexibility, and (3) occupant comfort and behaviors under demand response events. Key performance indicators such as energy use, flexibility factor, durations of occupant discomfort and occupant behaviors were analyzed. Our findings indicated variations in energy usage and occupant comfort within demand flexibility events, marked by uncertainty boundaries, with variability in demand shedding up to 57.9%. Here, we concluded that this framework is suitable for analyzing typical commercial buildings and their HVAC systems in terms of demand flexibility potential under the impact of occupant behaviors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Evaluating efficacy of indoor non-pharmaceutical interventions against COVID-19 outbreaks with a coupled spatial-SIR agent-based simulation framework

Contagious respiratory diseases, such as COVID-19, depend on sufficiently prolonged exposures for the successful transmission of the underlying pathogen. It is important that organizations evaluate the efficacy of non-pharmaceutical interventions aimed at mitigating viral transmission among their personnel. We have developed a operational risk assessment simulation framework that couples a spatial agent-based model of movement with an agent-based SIR model to assess the relative risks of different intervention strategies. By applying our model on MIT’s Stata center, we assess the impacts of three possible dimensions of intervention: one-way vs unrestricted movement, population size allowed onsite, and frequency of leaving designated work location for breaks. We find that there is no significant impact made by one-way movement restrictions over unrestricted movement. Instead, we find that reducing the frequency at which individuals leave their workstations combined with lowering the number of individuals admitted below the current recommendations lowers the likelihood of highly connected individuals within the contact networks that emerge, which in turn lowers the overall risk of infection. We discover three classes of possible interventions based on their epidemiological effects. By assuming a direct relationship between data on secondary attack rates and transmissibility in the agent-based SIR model, we compare relative infection risk of four respiratory illnesses, MERS, SARS, COVID-19, and Measles, within the simulated area, and recommend appropriate intervention guidelines.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Co-simulation Framework for Community-scale Building-grid Integration [SWR-21-75]

Distributed energy resources (DERs), including rooftop solar, energy storage, and flexible loads, are gaining popularity as costs decline and as building owners and utilities realize their benefits. DERs can improve distribution system efficiency, help prevent the need for expensive grid upgrades, and increase the resilience of local communities. However, they can also cause difficulties in grid operations and can require controls to achieve their benefits. To address this challenge, NREL researchers have developed a community-scale solution that assesses the impacts of DERs and their control strategies on a distribution system. The framework has been shown to reduce solar photovoltaic (PV) curtailment to 0%, mitigate the adverse impact of solar variability on the distribution voltage, and provide up to 5-day critical load support during emergency events. Utilizing 5 different modules representing the feeder, buildings, home energy management systems, an aggregator, and a utility controller, NREL expects this simulation technology to play a critical role in the continued integration of DERs. According to the Energy Information Administration (EIA), solar curtailments accounted for 94% of the total energy curtailed in the California Independent System Operator (CAISO) in 2020. By enabling Independent System Operators (ISOs) and utility operators to bring solar curtailments to 0%, the electrical grid can become less dependent on fossil-fueled power generation sources. NREL's co-simulation framework contains five major components: Distribution Feeder Model: describes the distribution feeder topology using OpenDSS, including the locations of all DERs. Residential Building Model: simulates a large number of buildings at a high resolution using OCHRETM. The model is equipped to control equipment based on signals from an external module. The model includes major household appliances such as HVAC and a water heater, non-dispatchable load models, a distributed PV system, and a home battery system. Home Energy Management System: optimizes the controls for the devices in a home using foreseeTM. The control can adjust based on the user preferences including cost, comfort, and convenience. In hierarchical control scenarios, where the houses follow signals from an aggregator, the home energy management system provides a flexibility band with a range of power and follows the dispatch signals received from aggregator. Community-Level Aggregator: solves for optimal energy dispatch based on the flexibility bands received from each home and the grid service signal received from the utility controller. Utility-Level Controller: provides grid signals for voltage control using Distributed Energy Resources (DERs), such as solar systems, in the community.

Balamurugan, Sivasathya Pradha↗
DOE OSTI2023

A high-resolution large-eddy simulation framework for wildland fire predictions using TensorFlow

Background: Wildfires are becoming more severe, so we need improved tools to predict them over a wide range of conditions and scales. One approach towards this goal entails the use of coupled fire/atmosphere modelling tools. Although significant progress has been made in advancing their physical fidelity, existing tools have not taken full advantage of emerging programming paradigms and computing architectures to enable high-resolution wildfire simulations. Aims: The aim of this study was to present a new framework that enables landscape-scale wildfire simulations with physical representation of combustion at an affordable cost. Methods: We developed a coupled fire/atmosphere simulation framework using TensorFlow, which enables efficient and scalable computations on Tensor Processing Units. Key Results: Simulation results for a prescribed fire were compared with experimental data. Predicted fire behavior and statistical analysis for fire spread rate, scar area, and intermittency showed overall reasonable agreement. Scalability analysis was performed, showing close to linear scaling. Conclusions: While mesh refinement was shown to have less impact on global quantities, such as fire scar area and spread rate, it benefits predictions of intermittent fire behavior, buoyancy-driven dynamics, and small-scale turbulent motion. Implications: This new simulation framework is efficient in capturing both global quantities and unsteady dynamics of wildfires at high spatial resolutions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Data Library of Liquid Clouds Modelled With a Large Eddy Simulation Framework

We describe a library of atmospheric large eddy simulations (LES) of liquid-phase boundary layer clouds constructed to enable aerosol–cloud–turbulence interaction studies, support parameterization evaluation and development, and provide training data for machine learning applications. The simulations use a modern LES framework designed for high numerical accuracy, coupled to a detailed spectral bin microphysical scheme. Case studies are configured to represent observed conditions in four key global cloud regions—the Northeastern Atlantic, Northeastern Pacific, Continental United States and Southern Ocean—following a semi-idealised approach. The library also includes aerosol concentration halving and doubling experiments to expose the sensitivities of the case studies to aerosol perturbations. Simulation results are compared to observations on a case-by-case basis, then the library's coverage is evaluated in terms of spreads in meteorological factors and atmospheric boundary layer attributes.

aerosol↗
DOE OSTI2019

Integrated Simulation Framework for Additively Manufactured Ti-6Al-4V: Melt Pool Dynamics, Microstructure, Solid-State Phase Transformation, and Microelastic Response

In this work, to accelerate the establishment of fundamental understanding of the additive manufacturing (AM) process and its influence on microstructural evolution and related properties, we develop a multiphysics and multiscale modeling framework that integrates: (1) a high-fidelity powder-scale three-dimensional simulation of transient heat transfer and melt flow dynamics, (2) cellular automaton simulation of solidification grain structure and texture, (3) phase-field modeling of precipitation and dissolution of second-phase precipitate during repeated thermal cycles, and (4) microstructure-based micro- and mesoscopic elastic response calculation. Using Ti-6Al-4V as a model system, we demonstrate the application of the integrated framework to simulate complex microstructure evolution during a single-track laser powder bed fusion process and the associated mechanical response. Our modeling framework successfully captures the solidification β grain structure as a function of laser power and scanning speed, α precipitation upon subsequent cooling with different rates, and elastic response of the resulting (α + β) two-phase microstructure. The key features of solidification and second-phase precipitate microstructures, and their dependence on processing parameters, agree well with existing experimental observations. Finally, the established modeling framework is generally applicable to other metallic materials fabricated by AM.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Diurnal Cycle of Clouds and Precipitation at the ARM SGP Site: An Atmospheric State-Based Analysis and Error Decomposition of a Multiscale Modeling Framework Simulation

Long–term reflectivity data collected by a millimeter cloud radar at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site are used to examine the diurnal cycle of clouds and precipitation and are compared with the diurnal cycle simulated by a Multiscale Modeling Framework (MMF) climate model. The study uses a set of atmospheric states that were created specifically for the SGP and for the purpose of investigating under what synoptic conditions models compare well with observations on a statistical basis (rather than using case studies or seasonal or longer time scale averaging). Differences in the annual mean diurnal cycle between observations and the MMF are decomposed into differences due to the relative frequency of states, the daily mean vertical profile of hydrometeor occurrence, and the (normalized) diurnal variation of hydrometeors in each state. Here the hydrometeors are classified as cloud or precipitation based solely on the reflectivity observed by a millimeter radar or generated by a radar simulator. The results show that the MMF does not capture the diurnal variation of low clouds well in any of the states but does a reasonable job capturing the diurnal variations of high clouds and precipitation in some states. In particular, the diurnal variations in states that occur during summer are reasonably captured by the MMF, while the diurnal variations in states that occur during the transition seasons (spring and fall) are not well captured. Overall, the errors in the annual composite are due primarily to errors in the daily mean of hydrometeor occurrence (rather than diurnal variations), but errors in the state frequency (that is, the distribution of weather states in the model) also play a significant role.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Coupling of regional geophysics and local soil-structure models in the EQSIM fault-to-structure earthquake simulation framework

Accurate understanding and quantification of the risk to critical infrastructure posed by future large earthquakes continues to be a very challenging problem. Earthquake phenomena are quite complex and traditional approaches to predicting ground motions for future earthquake events have historically been empirically based whereby measured ground motion data from historical earthquakes are homogenized into a common data set and the ground motions for future postulated earthquakes are probabilistically derived based on the historical observations. This procedure has recognized significant limitations, principally due to the fact that earthquake ground motions tend to be dictated by the particular earthquake fault rupture and geologic conditions at a given site and are thus very site-specific. Historical earthquakes recorded at different locations are often only marginally representative. There has been strong and increasing interest in utilizing large-scale, physics-based regional simulations to advance the ability to accurately predict ground motions and associated infrastructure response. However, the computational requirements for simulations at frequencies of engineering interest have proven a major barrier to employing regional scale simulations. In a U.S. Department of Energy Exascale Computing Initiative project, the EQSIM application development is underway to create a framework for fault-to-structure simulations. This framework is being prepared to exploit emerging exascale platforms in order to overcome computational limitations. This article presents the essential methodology and computational workflow employed in EQSIM to couple regional-scale geophysics models with local soil-structure models to achieve a fully integrated, complete fault-to-structure simulation framework. Here, the computational workflow, accuracy and performance of the coupling methodology are illustrated through example fault-to-structure simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A Co-Simulation Framework for Steady-State Analyses of Multiple Droop-based MTdc Grids in Continental-Scale Systems

The growing scale and complexity of planning continental hybrid ac and multi-terminal dc (MTdc) systems require scalable steady-state modeling and analysis approaches not currently available in commercial tools. This paper presents a comprehensive multi-fidelity model-conversion framework that enables the efficient transition of MTdc grid models from production cost modeling (PCM) and approximated ac power flow to detailed ac–MTdc power flow for large-scale planning studies. The core of this framework is a scalable co-simulation approach that, for the first time, enables power flow analysis in continental-scale ac–MTdc systems. It seamlessly couples commercial ac solvers with a detailed MTdc grid model that incorporates droop-based control and current-limiting strategies of multiple meshed MTdc grids. Leveraging this capability, an evaluation framework to systematically assess and compare different MTdc power redispatch strategies under ac and dc contingencies is introduced. The proposed framework and algorithm are evaluated using a combined Western and Eastern Interconnection system with 11 MTdc grids of various sizes, showing a coherent transition from PCM to detailed ac–MTdc power flow and improved system performance in voltage regulation and line overload mitigation following typical contingencies.

Nguyen, Quan H.↗
DOE OSTI2025

The Blending ToolKit: A simulation framework for evaluation of galaxy detection and deblending

We present an open source Python library for simulating overlapping (i.e., blended) images of galaxies and performing self-consistent comparisons of detection and deblending algorithms based on a suite of metrics. The package, named Blending Toolkit (BTK), serves as a modular, flexible, easy-to-install, and simple-to-use interface for exploring and analyzing systematic effects related to blended galaxies in cosmological surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time (LSST). BTK has three main components: (1) a set of modules that perform fast image simulations of blended galaxies, using the open source image simulation package GalSim; (2) a module that standardizes the inputs and outputs of existing deblending algorithms; (3) a library of deblending metrics commonly defined in the galaxy deblending literature. In combination, these modules allow researchers to explore the impacts of galaxy blending in cosmological surveys. Additionally, BTK provides researchers who are developing a new deblending algorithm a framework to evaluate algorithm performance and make principled comparisons with existing deblenders. BTK includes a suite of tutorials and comprehensive documentation. The source code is publicly available on GitHub at https://github.com/LSSTDESC/BlendingToolKit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Bioverse: A Simulation Framework to Assess the Statistical Power of Future Biosignature Surveys

Next-generation space observatories will conduct the first systematic surveys of terrestrial exoplanet atmospheres and search for evidence of life beyond Earth. While in-depth observations of the nearest habitable worlds may yield enticing results, there are fundamental questions about planetary habitability and evolution that can only be answered through population-level studies of dozens to hundreds of terrestrial planets. To determine the requirements for next-generation observatories to address these questions, we have developed Bioverse. Bioverse combines existing knowledge of exoplanet statistics with a survey simulation and hypothesis testing framework to determine whether proposed space-based direct imaging and transit-spectroscopy surveys will be capable of detecting various hypothetical statistical relationships between the properties of terrestrial exoplanets. Following a description of the code, we apply Bioverse to determine whether an ambitious direct imaging or transit survey would be able to determine the extent of the circumstellar habitable zone and study the evolution of Earth-like planets. Given recent evidence that Earth-sized habitable zone planets are likely much rarer than previously believed, we find that space missions with large search volumes will be necessary to study the population of terrestrial and habitable worlds. Moving forward, Bioverse provides a methodology for performing trade studies of future observatory concepts to maximize their ability to address population-level questions, including and beyond the specific examples explored here.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

CFD/FEA Co-Simulation Framework for Analysis of the Thermal Barrier Coating Design and Its Impact on the HD Diesel Engine Performance

Thermal barrier coatings (TBCs) have been investigated both experimentally and through simulation for mixing controlled combustion (MCC) concepts as a method for reducing heat transfer losses and increasing cycle efficiency, but it is still a very active research area. Early studies were inconclusive, with different groups discovering obstacles to realizing the theoretical potential. Nuanced papers have shown that coating material properties, thickness, microstructure, and surface morphology/roughness all can impact the efficacy of the thermal barrier coating and must be accounted for. Adding to the complexities, a strong spatial and temporal heat flux inhomogeneity exists for mixing controlled combustion (diesel) imposed onto the surfaces from the impinging flame jets. In support of the United States Department of Energy SuperTruck II program goal to achieve 55% brake thermal efficiency on a heavy-duty diesel engines, this study sought to develop a deeper insight into the inhomogeneous heat flux from mixing controlled combustion on thermal barrier coatings and to infer concrete guidance for designing coatings. To that end, a co-simulation approach was developed that couples high-fidelity computational fluid dynamics (CFD) modeling of in-cylinder processes and combustion, and finite element analysis (FEA) modeling of the thermal barrier-coated and metal engine components to resolve spatial and temporal thermal boundary conditions. The models interface at the surface of the combustion chamber; FEA modeling predicts the spatially resolved surface temperature profile, while CFD develops insights into the effect of the thermal barrier coating on the combustion process and the boundary conditions on the gas side. The paper demonstrates the capability of the framework to estimate cycle impacts of the temperature swing at the surface, as well as identify critical locations on the piston/thermal barrier coating that exhibit the highest charge temperature and highest heat fluxes. In addition, the FEA results include predictions of thermal stresses, thus enabling insight into factors affecting coating durability. An example of the capability of the framework is provided to illustrate its use for investigating novel coatings and provide deeper insights to guide future coating design.

42 ENGINEERING↗
DOE OSTI2025

Simulating Pyrocumulonimbus Clouds Using a Multiscale Wildfire Simulation Framework

Pyrocumulonimbus (pyroCb) clouds, driven by extreme fires under favorable meteorological conditions, can inject smoke into the stratosphere at magnitudes comparable to those of moderate volcanic eruptions, potentially altering the global radiative balance and atmospheric composition. However, simulating pyroCb is particularly challenging in Earth system models. Using the Energy Exascale Earth System Model (E3SM), we developed a novel global multiscale framework to model pyroCb events in California, which includes a high‐resolution fire radiative power time series, a one‐dimensional plume‐rise parameterization, a fire‐induced vertical water vapor transport scheme, and a surface wildfire sensible heat flux representation. Our simulation successfully reproduces many pyroCb features, including cloud height, spatiotemporal evolution, and convective intensity in comparison with satellite and ground‐based observations. Sensitivity experiments show that realistic pyroCb simulation depends on vertical water vapor transport. These advances provide a basis for future exploration of pyroCb impacts at regional and global scales within climate models.

E3SM↗
DOE OSTI2022

The FastEddy® Resident-GPU Accelerated Large-Eddy Simulation Framework: Moist Dynamics Extension, Validation and Sensitivities of Modeling Non-Precipitating Shallow Cumulus Clouds

Herein we describe the moist dynamics formulation implemented within the graphics processing unit-resident large-eddy simulation FastEddy® model, which includes a simple saturation adjustment scheme for condensation and evaporation processes. Two LES model intercomparison exercises for non-precipitating shallow cumulus clouds are simulated in order to validate this model extension, including a static forcing and a time-dependent forcing case. Overall, we find our dynamical, thermodynamical and microphysical quantities, along with turbulence variability and fluxes, to be commensurate with the corresponding model intercomparison results. In addition, sensitivities to specific model settings are investigated. Among these settings, it is shown that boundary layer and cloud layer structure and characteristics are sensitive to use of higher-order advection schemes impacting the vertical distribution of cloud content and associated turbulence statistics. Increasing the timescale of the saturation scheme leads to enhanced liquid water presence and decreases vertical velocity variance within the cloud deck. In some cases, these sensitivities agree with the model-to-model variability reported in the intercomparison exercises, highlighting the important role of specific model implementation choices in the context of shallow cumulus convection simulations. These analyses and findings also provide the basis for future extensions and applications of FastEddy® for modeling moist convection and precipitation scenarios.

54 ENVIRONMENTAL SCIENCES↗