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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗
DOE OSTI2017

Visual Steering and Modeling Environment for Smart Grid Models and Simulations

We are developing the Visual Steering and Modeling Environment (VSME) to enable the visual control and steering of smart grid simulations as well as the visualization of simulation behaviors, conditions, and results. Visual steering will allow planners and operators to visually adjust the parameters to a suite of coordinated and dynamic smart grid simulations and immediately see the effects in multi-perspective visualizations. A configurable dashboard connects and integrates parameters, simulations, data, and visualizations into a combined and coherent display.

Power grid, smart grid, visualization, data visual↗
DOE OSTI2025

Extreme flood return levels in a U.S. mid-Atlantic estuary using 40-year fluvial-coastal model simulations

Using an integrated watershed-coastal modeling framework, we conducted long-term historical simulations (1980-2019) of fluvial and coastal flooding in the Delaware Bay and River, a vulnerable estuarine system in the U.S., at high spatial resolutions. By applying process-based models, we generated physically consistent and spatially detailed estimates of estuarine, riverine, and surge-driven extreme water level compared to previous studies that used field data only. We then evaluated changes in the magnitude of flood events using the 40-year simulations and detrended Floodwater Depth values with stationary extreme value analysis. Our detailed assessment of spatial-varying extreme values revealed how different flood-generation mechanisms can dominate various zones in the estuary. The datasets produced through this work will be valuable for long-term flood hazard mitigation planning in coastal communities in the Delaware Bay and River region. Additionally, this work will serve as a benchmark for other coastal flood hazard modeling communities worldwide, aiding them in systematically modeling long-term and continuous extreme flood events.

Coastal and Riverine Flooding↗
DOE OSTI2026

Enabling kilometer-scale E3SM land model simulation over North America: A new integrated framework solution

This study introduces a novel framework designed to enhance the performance, scalability, and portability of the kilometer-scale E3SM Land Model (km-ELM) within the E3SM modeling infrastructure. By seamlessly integrating cutting-edge data tools, we address existing challenges such as slow performance, limited scalability, and difficulties in software integration in current data-driven ELM simulation over large geographic areas. Our innovative approach leverages the KiloCraft data toolkit to generate unified inputs for simulations ranging from a single-cite case, to a 72,083-cell regional case to a continental configuration encompassing 21.6 million land grid cells at a 1 km × 1 km resolution. We conduct extensive strong- and weak-scaling experiments on three state-of-the-art supercomputers, utilizing up to 100,800 CPU cores across 2400 compute nodes to evaluate end-to-end metrics including wall-clock time, simulation-years-per-day (SYPD), initialization costs, and I/O throughput. Our results reveal the land (LND) component’s efficient scaling, demonstrating near-ideal weak scaling and strong-scaling parallel efficiencies reaching up to 87% at 50,400 cores. We confirm portability and reproducibility through bitwise-equivalent outputs across different machines using identical inputs over supported machines. Notably, at extreme scales, we identify I/O as a critical bottleneck and that leads to effective solution with the SCORPIO/ADIOS stack. Collectively, these findings validate the deployment of km-ELM at a continental scale with high parallel efficiency and provide essential guidance on configuration, decomposition, and I/O settings for optimized kilometer-scale land simulations in E3SM. This work emphasizes the innovative design and practical solutions that enhance the operational capabilities of km-ELM, focusing on software performance and scalability while leaving detailed scientific evaluations of simulated land processes for future investigations.

E3SM land model (ELM), km-ELM, scalability, perfor↗
DOE OSTI2023

Time-dependent SOLPS-ITER simulations of the tokamak plasma boundary for model predictive control using SINDy *

Abstract Time-dependent SOLPS-ITER simulations have been used to identify reduced models with the sparse identification of nonlinear dynamics (SINDy) method and develop model-predictive control of the boundary plasma state using main ion gas puff actuation. A series of gas actuation sequences are input into SOLPS-ITER to produce a dynamic response in upstream and divertor plasma quantities. The SINDy method is applied to identify reduced linear and nonlinear models for the electron density at the outboard midplane n e , s e p O M P and the electron temperature at the outer divertor T e , s e p d i v . Note that T e , s e p d i v is not necessarily the peak value of T e along the divertor. The identified reduced models are interpretable by construction (i.e. not black box), and have the form of coupled ordinary differential equations. Despite significant noise in T e , s e p d i v , the reduced models can be used to predict the response over a range of actuation levels to a maximum deviation of 0.5% in n e , s e p O M P and 5%–10% in T e , s e p d i v for the cases considered. Model retraining using time history data triggered by a preset error threshold is also demonstrated. A model predictive control strategy for nonlinear models is developed and used to perform feedback control of a SOLPS-ITER simulation to produce a setpoint trajectory in n e , s e p O M P using the integrated plasma simulator framework. The developed techniques are general and can be applied to time-dependent data from other boundary simulations or experimental data. Ongoing work is extending the approach to model identification and control for divertor detachment, which will present transient nonlinear behavior from impurity seeding, including realistic latency and synthetic diagnostic signals derived from the full SOLPS-ITER output.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

2014 Semi-Annual Progress Letter Report on Used Nuclear Fuel Integrity Study in Transportation Environments

The objective of this project is to perform a systematic study on UNF (Used Nuclear Fuel) integrity under simulated transportation environments by using enabling hot-cell testing technology developed recently at ORNL, CIRFT (Cyclic Integrated Reversible-Bending Fatigue Tester) [1-9]. Out-of-cell study will support the ongoing ORNL hot-cell or in-cell testing. Although the use of CIRFT on H. B. Robinson UNF rods generated many interesting data, a number of important issues remain to be addressed arising from the test system and the rod itself. It has been shown that a direct examination of some of these issues in the hot-cell is prohibitive due to high cost and access limitations. The out-of-cell study has been demonstrated to be cost effective and much more feasible to provide quick turn-around solutions. A testing system with the same configuration as that of CIRFT used in hot-cell has been proposed to study the emerging issues from hot-cell testing and also to investigate the fatigue and failure mechanisms of UNF rods that cannot be identified directly with in hot-cell testing. The developments of hardware and software, test protocol, and hot-cell data analysis will be discussed in this report.

Normal Transportation↗
DOE OSTI2017

Open-source framework for power system transmission and distribution dynamics co-simulation

The promise of the smart grid entails more interactions between the transmission and distribution networks, and there is an immediate need for tools to provide the comprehensive modelling and simulation required to integrate operations at both transmission and distribution levels. Existing electromagnetic transient simulators can perform simulations with integration of transmission and distribution systems, but the computational burden is high for large-scale system analysis. For transient stability analysis, currently there are only separate tools for simulating transient dynamics of the transmission and distribution systems. In this paper, we introduce an open source co-simulation framework “Framework for Network Co-Simulation” (FNCS), together with the decoupled simulation approach that links existing transmission and distribution dynamic simulators through FNCS. FNCS is a middleware interface and framework that manages the interaction and synchronization of the transmission and distribution simulators. Preliminary testing results show the validity and capability of the proposed open-source co-simulation framework and the decoupled co-simulation methodology.

Huang, Renke↗
DOE OSTI2017

Cluster dynamics modelling of materials: A new hybrid deterministic/stochastic coupling approach

Deterministic simulations of the rate equations governing cluster dynamics in materials are limited by the number of equations to integrate. Stochastic simulations are limited by the high frequency of certain events. We propose a coupling method combining deterministic and stochastic approaches. It allows handling different time scale phenomena for cluster dynamics. This method, based on a splitting of the dynamics, is generic and we highlight two different hybrid deterministic/stochastic methods. These coupling schemes are highly parallelizable and specifically designed to treat large size cluster problems. The proof of concept is made on a simple model of vacancy clustering under thermal ageing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗
DOE OSTI2015

System-of-Systems Approach for Integrated Energy Systems Modeling and Simulation: Preprint

Today’s electricity grid is the most complex system ever built—and the future grid is likely to be even more complex because it will incorporate distributed energy resources (DERs) such as wind, solar, and various other sources of generation and energy storage. The complexity is further augmented by the possible evolution to new retail market structures that provide incentives to owners of DERs to support the grid. To understand and test new retail market structures and technologies such as DERs, demand-response equipment, and energy management systems while providing reliable electricity to all customers, an Integrated Energy System Model (IESM) is being developed at NREL. The IESM is composed of a power flow simulator (GridLAB-D), home energy management systems implemented using GAMS/Pyomo, a market layer, and hardware-in-the-loop simulation (testing appliances such as HVAC, dishwasher, etc.). The IESM is a system-of-systems (SoS) simulator wherein the constituent systems are brought together in a virtual testbed. We will describe an SoS approach for developing a distributed simulation environment. We will elaborate on the methodology and the control mechanisms used in the co-simulation illustrated by a case study.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

FY14 Status Report: CIRFT Testing Results on High Burnup UNF

The objective of this project is to perform a systematic study of SNF/UNF (spent nuclear fuel/or used nuclear fuel) integrity under simulated transportation environments by using hot cell testing technology developed recently at Oak Ridge National Laboratory (ORNL), CIRFT (Cyclic Integrated Reversible-Bending Fatigue Tester). Under Nuclear Regulatory Commission (NRC) sponsorship, ORNL completed four benchmarking tests, four static tests, and twelve dynamic or cycle tests on H. B. Robinson (HBR) high burn-up (HBU) fuel. With support from the US Department of Energy and the NRC, CIRFT testing has been continued. The CIRFT testing was conducted on three HBR rods (R3, R4, and R5), with two specimens failed and one specimen un-failed. The total number of cycles in the test of un-failed specimens went over 2.23 107; the test was stopped as because the specimen did not show any sign of failure. The data analysis on all the HBR SNF rods demonstrated that it is necessary to characterize the fatigue life of used fuel rods in terms of both the curvature amplitude and the maximum of absolute of curvature extremes. The latter is significant because the maxima of extremes signify the maximum of tensile stress of the outer fiber of the bending rod. So far, a large variety of hydrogen contents has been covered in the CIRFT testing on HBR rods. It has been shown that the load amplitude is the dominant factor that controls the lifetime of bending rods, but the hydrogen content also has an important effect on the lifetime attained, according to the load range tested.

fuel vibration integrity↗
DOE OSTI2015

Demonstrating integration of CBP and ASCEM simulation tools - 15627

DOE-EM is supporting two crosscutting projects to develop software and conduct targeted experiments to enhance performance and risk assessment capabilities: the Cementitious Barriers Partnership (CBP) and the Advanced Simulation Capability for Environmental Management (ASCEM). The CBP is a smaller-scale project of coordinated software development and experimentation focused on cementitious materials. ASCEM is a larger-scale project aimed at developing next-generation, science-based, reactive flow and transport simulation capabilities and supporting modeling tool-sets within a high-performance computing framework to address DOE-EM's waste management and environmental cleanup challenges. Complementary integration of CBP and ASCEM software tool-sets has been demonstrated through a joint simulation of radionuclide release and transport in a representative tank closure scenario. Specialized CBP capabilities for simulating reactive transport in cementitious materials were utilized in a near-field simulation of radionuclide leaching from the engineered system. The high-performance computing (HPC) capabilities of the ASCEM Amanzi simulator were utilized to simulate far-field flow and transport in the natural environment outside the closed tank. The ASCEM flow simulation provided boundary conditions to the CBP near-field model, which in turn provided radionuclide source terms to the ASCEM far-field transport simulation. The joint demonstration illustrates how the two crosscutting projects can be used in a complementary manner to enhance DOE performance and risk assessment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Use of Grid-Forming Medium-Voltage Power Electronics Hub in a Microgrid Setting

This paper presents the application of a new design of a multiport, modular, medium-voltage power electronics hub (M3PE-HUB) in a microgrid setting. The M3PE-HUB system was modeled in a digital real-time simulator (DRTS) and integrated into the Banshee microgrid test system. This paper presents the preliminary DRTS simulation-based results of the M3PE-HUB system connected in a test microgrid system. Verification and validation of the M3PE-HUB architecture and controls in the test microgrid setting are the primary contributions of this work. The results of the operation during the islanding and resynchronization process indicate the feasibility of the proposed architecture in a microgrid setting. This paper also presents results for a system reconfiguration use case where the M3PE-HUB was used to reconfigure the system under a fault condition.

grid forming↗
DOE OSTI2012

Risk Reduction and Training using Simulation Based Tools - 12180

Process Modeling and Simulation (M and S) has been used for many years in manufacturing and similar domains, as part of an industrial engineer's tool box. Traditionally, however, this technique has been employed in small, isolated projects where models were created from scratch, often making it time and cost prohibitive. Newport News Shipbuilding (NNS) has recognized the value of this predictive technique and what it offers in terms of risk reduction, cost avoidance and on-schedule performance of highly complex work. To facilitate implementation, NNS has been maturing a process and the software to rapidly deploy and reuse M and S based decision support tools in a variety of environments. Some examples of successful applications by NNS of this technique in the nuclear domain are a reactor refueling simulation based tool, a fuel handling facility simulation based tool and a tool for dynamic radiation exposure tracking. The next generation of M and S applications include expanding simulation based tools into immersive and interactive training. The applications discussed here take a tool box approach to creating simulation based decision support tools for maximum utility and return on investment. This approach involves creating a collection of simulation tools that can be used individually or integrated together for a larger application. The refueling simulation integrates with the fuel handling facility simulation to understand every aspect and dependency of the fuel handling evolutions. This approach translates nicely to other complex domains where real system experimentation is not feasible, such as nuclear fuel lifecycle and waste management. Similar concepts can also be applied to different types of simulation techniques. For example, a process simulation of liquid waste operations may be useful to streamline and plan operations, while a chemical model of the liquid waste composition is an important tool for making decisions with respect to waste disposition. Integrating these tools into a larger virtual system provides a tool for making larger strategic decisions. The key to integrating and creating these virtual environments is the software and the process used to build them. Although important steps in the direction of using simulation based tools for nuclear domain, the applications described here represent only a small cross section of possible benefits. The next generation of applications will, likely, focus on situational awareness and adaptive planning. Situational awareness refers to the ability to visualize in real time the state of operations. Some useful tools in this area are Geographic Information Systems (GIS), which help monitor and analyze geographically referenced information. Combined with such situational awareness capability, simulation tools can serve as the platform for adaptive planning tools. These are the tools that allow the decision maker to react to the changing environment in real time by synthesizing massive amounts of data into easily understood information. For the nuclear domains, this may mean creation of Virtual Nuclear Systems, from Virtual Waste Processing Plants to Virtual Nuclear Reactors. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

HOSS: Hybrid Optimization Software Suite

HOSS software, developed at LANL, is a powerful, flexible, and parallelized package that enables the user to predict deformation and failure of materials in a variety of situations. LANL’s HOSS software is an R&D 100 finalist that integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to handle millions of interacting and fracturing solids and/or particle systems. This nextgeneration simulation software integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to provide state-of-the-art simulation solutions for a wide field of applications including oil and gas, construction, mining, defense, material sciences, and biomechanics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulating energetic ions and enhanced fusion rates from ion-cyclotron resonance heating with a full-wave/Fokker–Planck model

Reproducing fast-ion enhanced fusion rates from ion-cyclotron resonance heating (ICRH) in tokamaks requires the self-consistent coupling of a full-wave solver and a Fokker–Planck solver, which evolves multiple simultaneously resonant ion species. We introduce a new self-consistent model that iterates the TORIC full-wave solver with the CQL3D Fokker–Planck solver using the integrated plasma simulator (IPS). This model evolves the bounce-averaged ion distribution functions in both parallel and perpendicular velocity-space with a quasilinear radio frequency (RF) diffusion operator valid in the ion finite Larmor radius (FLR) limit and the RF electric fields with the resultant non-Maxwellian FLR dielectric tensor. This produces non-Maxwellian ICRH simulations that are fully self-consistent, fast, and interoperable with integrated modeling frameworks, such as TRANSP/GACODE/IPS-FASTRAN. We demonstrate our model's capabilities by validating it against experimental data in Alcator C-Mod. We then perform the first RF heating simulations of SPARC using self-consistent non-Maxwellian ion distributions to investigate the potential to enhance fusion rates using ion cyclotron resonance heating generated fast ions.

Physics↗
DOE OSTI2016

Energy optimization for a wind DFIG with flywheel energy storage

The type of distributed generation unit that is the subject of this paper relates to renewable energy sources, especially wind power. The wind generator used is based on a double fed induction Generator (DFIG). The stator of the DFIG is connected directly to the network and the rotor is connected to the network through the power converter with three levels. The objective of this work is to study the association a Flywheel Energy Storage System (FESS) in wind generator. This system is used to improve the quality of electricity provided by wind generator. It is composed of a flywheel; an induction machine (IM) and a power electronic converter. A maximum power tracking technique « Maximum Power Point Tracking » (MPPT) and a strategy for controlling the pitch angle is presented. The model of the complete system is developed in Matlab/Simulink environment / to analyze the results from simulation the integration of wind chain to networks.

17 WIND ENERGY↗
DOE OSTI2024

Assessing the impacts of air-sealing on the sizing, operation, and economic feasibility of ground-source heat pumps for electrifying single-family houses in the US

According to recent studies and reports, in single-family houses (SFHs), air-sealing can significantly lower the thermal loads for space heating and cooling. Thus, air-sealing in SFHs could reduce the required size and cost of ground source heat pump (GSHP) systems for electrifying SFHs. Here, this study investigated the costs and benefits of integrating air-sealing with GSHPs for retrofitting existing SFHs when compared with air-source heat pumps. A whole building energy simulation tool integrated with an advanced design tool for modeling ground heat exchangers was used to calculate changes in required GSHP capacity, total borehole length, and building energy consumption with and without air-sealing in SFHs in 16 US climatic regions. The results from this study showed that reducing outdoor air infiltration from 0.8 air changes per hour (ACH) to the minimum ventilation requirement (0.35 ACH) can significantly reduce borehole length (up to 55 %), GSHP capacity (up to 48 %), and total heating electricity reduction, especially in cold climates (up to 44 %). The results also showed that for airtight homes (0.03 ACH infiltration) with a direct outdoor air system, the minimum required borehole length, GSHP capacity, and total heating electricity consumption can be reduced up to 70 %, 68 %, and 67 %, respectively, when compared with SFHs with 0.8 ACH infiltration. Moreover, the life cycle cost analysis showed that air-sealing in conjunction with a GSHP is more profitable than replacing the existing system with an air-source heat pump, even without any incentives for most climatic regions in the US (except for some hot regions).

15 GEOTHERMAL ENERGY↗