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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Single-size and cluster dynamics modeling of intra-granular fission gas bubbles in UO 2

For this work, we perform simulations of intra-granular fission gas bubble evolution in UO 2 using both a relatively simple, computationally inexpensive single-size model and a detailed cluster dynamics model. Simulations encompass 36 experimental cases from 4 different databases, covering various temperature and burnup levels. We systematically compare results from the two models to each other and to post-irradiation experimental data of bubble average size and number density. Overall, the model-to-model comparisons reveal an excellent agreement across the set of simulations. This outcome indicates that, in spite of the underlying assumptions, the single-size model provides a good approximation of the complex physical behavior that is more rigorously described by the cluster dynamics model. Qualitatively, both models reproduce the trends of the experimental data with temperature and burnup correctly. Quantitatively, calculated results are either in good agreement with the data or within errors that appear consistent with the inherent uncertainties. Moreover, for the single-size model, we demonstrate and assess a multiscale approach whereby values for the fission gas atom diffusion coefficient from separate atomistic calculations are used. Systematic comparisons to experimental data point out a credible accuracy of the multiscale model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Report on High-Fidelity Dynamic Modeling of a Coal-Fired Steam Power Plant

As a result of the growth of renewables including solar and wind energy with fluctuating production, fossil fuel power plants are being required to cycle between high and low power production. This cycling is both at a greater frequency and over a wider range than in the past. In many cases, power plants are not designed for this type of cycling operation but can nonetheless endure these challenging operation requirements under the right conditions. In this project, optimal solution for enhanced flexible operations are being investigated using model based estimation and control techniques. To support the development of model-based estimator and model-based controls at GE Global Research, GE Steam Power configured a dynamic model using a reference steam plant design including the boiler, turbine, and water/steam conditioning systems as well as the controls needed for plant cycling with stability and reliability. The dynamic model was built using the APROS® software from VTT, and then calibrated to multiple load conditions from full load (100%TMCR) to partial loads (75%TMCR, 50%TMCR and 25%TMCR) based on internally developed steady state heat balance models at the unit level. These internal heat balance models are based on first principles and extensive engineering experiences from GE Steam Power as an OEM and a services provider. This topical report presents the structure of the unit level dynamic model, the tuning process, and representative simulation results from typical load cycling simulations using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

A dynamic model for the Lagrangian stochastic dispersion coefficient

A stochastic sub-grid model is often used to accurately represent particle dispersion in turbulent flows using large eddy simulations. Models of this type have a free parameter, the dispersion coefficient, which is not universal and is strongly grid-dependent. In the present paper, a dynamic model for the evaluation of the coefficient is proposed and validated in decaying homogeneous isotropic turbulence. The grid dependence of the static coefficient is investigated in a turbulent mixing layer and compared to the dynamic model. The dynamic model accurately predicts dispersion statistics and resolves the grid-dependence. Dispersion statistics of the dynamically calculated constant are more accurate than any static coefficient choice for a number of grid spacings. Furthermore, the dynamic model produces less numerical artefacts than a static model and exhibits smaller sensitivity in the results predicted for different particle relaxation times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Posterior comparison of model dynamics in several hybrid turbulence model forms

Hybrid turbulence models that can accurately reproduce unsteady three-dimensional flow physics across the entire range of grid scales and turbulence dynamics from Reynolds-averaged Navier–Stokes (RANS), through large-eddy simulation (LES), down to direct numerical simulations (DNS) are of increasing interest to the turbulence modeling community. However, despite decades of research and development, the basic tasks of eliminating poor-performing hybrid RANS-LES models and accelerating adoption of superior models through well-designed validation and verification have yet to occur. As a step in this direction, in this work we evaluate thirteen different hybrid RANS-LES models via systematic grid refinement of decaying homogeneous isotropic turbulence. We further derive a novel mathematical framework for assessing the energy partitioning dynamics of each Hybrid RANS-LES model, wherein model-to-model variations in energy partitioning can be interpreted as different feedback mechanisms operating on a low-dimensional nonlinear dynamical system. We found that model forms similar to the flow simulation methodology—also often termed very-large eddy simulation—are dynamically inconsistent with DNS at all resolutions. Additionally, we found a strong dynamical similarity in the feedback mechanisms of all models related to detached eddy simulation and partially averaged Navier–Stokes that is inherent to their general model forms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A framework for testing soil carbon dynamics post land-use transition in a multisector dynamics model

Soil carbon plays a crucial role in the global carbon cycle. Changes in land use can determine whether carbon is stored or is emitted into the atmosphere as carbon dioxide, which has broad implications for the human and Earth systems. These feedbacks to the carbon cycle and their socio-economic drivers are modelled by many global multisector dynamics models to project future possibilities for the human-Earth system. One notable model of this class is the Global Change Analysis Model (GCAM), which uses a simplified process to model soil organic carbon (SOC) content after land-use transition across 384 land units. While the current GCAM soil carbon framework is based on scientific principles, it has not been tested against experimental data. This work examines rates of SOC change from GCAM input data. Specifically, first order rate constants derived from model inputs were compared to values from two syntheses to assess GCAM’s accuracy. Welch’s t-tests and linear models were used to determine if rate constants were consistent across all tested geographical areas and land-use transition types. While we found that there was general agreement on the direction and magnitude (i.e., rate) of SOC change, the rate constant derived from GCAM and empirical values differed strongly in a subset of specific instances. These results indicate that GCAM’s current SOC dynamics during land use transition successfully capture broad patterns of change in this critical carbon pool, but should be interpreted with caution at finer spatial scales. One potential cause of these discrepancies is our highly aggregated variable, soil timescale, which could be made more granular to improve accuracy. When using economically rooted multisector dynamics models, such as GCAM, it is critical to understand such model limitations for representing specific Earth system processes.

carbon↗
DOE OSTI2016

Understanding Dynamic Model Validation of a Wind Turbine Generator and a Wind Power Plant

Regional reliability organizations require power plants to validate the dynamic models that represent them to ensure that power systems studies are performed to the best representation of the components installed. In the process of validating a wind power plant (WPP), one must be cognizant of the parameter settings of the wind turbine generators (WTGs) and the operational settings of the WPP. Validating the dynamic model of a WPP is required to be performed periodically. This is because the control parameters of the WTGs and the other supporting components within a WPP may be modified to comply with new grid codes or upgrades to the WTG controller with new capabilities developed by the turbine manufacturers or requested by the plant owners or operators. The diversity within a WPP affects the way we represent it in a model. Diversity within a WPP may be found in the way the WTGs are controlled, the wind resource, the layout of the WPP (electrical diversity), and the type of WTGs used. Each group of WTGs constitutes a significant portion of the output power of the WPP, and their unique and salient behaviors should be represented individually. The objective of this paper is to illustrate the process of dynamic model validations of WTGs and WPPs, the available data recorded that must be screened before it is used for the dynamic validations, and the assumptions made in the dynamic models of the WTG and WPP that must be understood. Without understanding the correct process, the validations may lead to the wrong representations of the WTG and WPP modeled.

17 WIND ENERGY↗
DOE OSTI2015

Approximate Bisimulation-Based Reduction of Power System Dynamic Models

In this paper we propose approximate bisimulation relations and functions for reduction of power system dynamic models in differential- algebraic (descriptor) form. The full-size dynamic model is obtained by linearization of the nonlinear transient stability model. We generalize theoretical results on approximate bisimulation relations and bisimulation functions, originally derived for a class of constrained linear systems, to linear systems in descriptor form. An algorithm for transient stability assessment is proposed and used to determine whether the power system is able to maintain the synchronism after a large disturbance. Two benchmark power systems are used to illustrate the proposed algorithm and to evaluate the applicability of approximate bisimulation relations and bisimulation functions for reduction of the power system dynamic models.

Stankovic, AM↗
DOE OSTI2016

Opinion dynamics model based on quantum formalism

Opinion dynamics model based on quantum formalism is proposed. The core of the quantum formalism is on the half spin dynamics system. In this research the implicit time evolution operators are derived. The analogy between the model with Deffuant dan Sznajd models is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Preparatory steps for a robust dynamic model for organically bound tritium dynamics in agricultural crops

The processes involved in tritium transfer in crops are complex and regulated by many feedback mechanisms. A full mechanistic model is difficult to develop due to the complexity of the processes involved in tritium transfer and environmental conditions. First, a review of existing models (ORYZA2000, CROPTRIT and WOFOST) presenting their features and limits, is made. Secondly, the preparatory steps for a robust model are discussed, considering the role of dry matter and photosynthesis contribution to the OBT (Organically Bound Tritium) dynamics in crops.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Dynamic modeling and control of a solid-sorbent CO{sub 2} capture process with two-stage bubbling fluidized bed adsorber reactor

Solid-sorbent-based CO{sub 2} capture processes have strong potential for reducing the overall energy penalty for post-combustion capture from the flue gas of a conventional pulverized coal power plant. However, the commercial success of this technology is contingent upon it operating over a wide range of capture rates, transient events, malfunctions, and disturbances, as well as under uncertainties. To study these operational aspects, a dynamic model of a solid-sorbent-based CO{sub 2} capture process has been developed. In this work, a one-dimensional (1D), non-isothermal, dynamic model of a two-stage bubbling fluidized bed (BFB) adsorber-reactor system with overflow-type weir configuration has been developed in Aspen Custom Modeler (ACM). The physical and chemical properties of the sorbent used in this study are based on a sorbent (32D) developed at National Energy Technology Laboratory (NETL). Each BFB is divided into bubble, emulsion, and cloud-wake regions with the assumptions that the bubble region is free of solids while both gas and solid phases coexist in the emulsion and cloud-wake regions. The BFB dynamic model includes 1D partial differential equations (PDEs) for mass and energy balances, along with comprehensive reaction kinetics. In addition to the two BFB models, the adsorber-reactor system includes 1D PDE-based dynamic models of the downcomer and outlet hopper, as well as models of distributors, control valves, and other pressure-drop devices. Consistent boundary and initial conditions are considered for simulating the dynamic model. Equipment items are sized and appropriate heat transfer options, wherever needed, are provided. Finally, a valid pressure-flow network is developed and a lower-level control system is designed. Using ACM, the transient responses of various process variables such as flue gas and sorbent temperatures, overall CO{sub 2} capture, level of solids in the downcomer and hopper have been studied by simulating typical disturbances such as change in the temperature, flowrate, and composition of the flue gas. To maintain the overall CO{sub 2} capture at a desired level in face of the typical disturbances, two control strategies were considered–a proportional-integral-derivative (PID)-based feedback control strategy and a feedforward-augmented feedback control strategy. Dynamic simulation results show that both the strategies result in unacceptable overshoot/undershoot and a long settling time. To improve the control system performance, a linear model predictive controller (LMPC) is designed. In summary, the overall results illustrate how optimizing the operation and control of carbon capture systems can have a significant impact on the extent and the rate at which commercial-scale capture processes will be scaled-up, deployed, and used in the years to come.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Railcar Dynamics Model of the ENSA/DOE Multimodal Transportation Campaign Rail Conveyance System

Railcar dynamics models can be applied to calculate loads transmitted to used nuclear fuel (UNF) during normal conditions of transportation (NCT). This work details the development of a railcar dynamics model for the Equipos Nucleares of Spain-U.S. Department of Energy (ENSA/DOE) multimodal transportation campaign. The model was developed using NUCARS and represents the Kasgro 12-axle railcar and the ENSA ENUN-32P cask and cradle used during the campaign. The dynamics of the cask and cradle are captured by modeling them as a single degree-of-freedom (SDOF) system with optimized stiffness and damping parameters. The model was tuned using a statistical design method and manual parameter adjustment, and validated by comparing the predicted response to data collected from captive track tests. The SDOF cask and cradle model simplifies downstream analyses used to predict loads on UNF. Previous methods fed the railcar deck motion into computationally expensive finite element models of the cask and cradle; capturing the dynamics of the cask and cradle in the railcar model bypasses this step. The model provides information useful for understanding the shock and vibration environment of UNF during rail transportation, and the agreement achieved between model and test provides confidence that the methods used in this work could be used for other vehicle configurations such as the ATLAS railcar.

Kadooka, Kevin↗
DOE OSTI2014

Modeling light-induced charge transfer dynamics across a metal-molecule-metal junction: Bridging classical electrodynamics and quantum dynamics

We develop a numerical approach for simulating light-induced charge transport dynamics across a metal-molecule-metal conductance junction. The finite-difference time-domain method is used to simulate the plasmonic response of the metal structures. The Huygens subgridding technique, as adapted to Lorentz media, is used to bridge the vastly disparate length scales of the plasmonic metal electrodes and the molecular system, maintaining accuracy. The charge and current densities calculated with classical electrodynamics are transformed to an electronic wavefunction, which is then propagated through the molecular linker via the Heisenberg equations of motion. We focus mainly on development of the theory and exemplify our approach by a numerical illustration of a simple system consisting of two silver cylinders bridged by a three-site molecular linker. The electronic subsystem exhibits fascinating light driven dynamics, wherein the charge density oscillates at the driving optical frequency, exhibiting also the natural system timescales, and a resonance phenomenon leads to strong conductance enhancement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Experimental characterization and modeling of optical tweezer particle handling dynamics [Modeling and Simulation of Optical Tweezer Particle Handling Dynamics]

Here, we report a new framework for a quantitative understanding of optical trapping (OT) particle handling dynamics. We present a novel three-dimensional particle-based model that includes optical, hydrodynamic, and inter-particle forces. This semi-empirical colloid model is based on an open-source simulation code known as LAMMPS (large-scale atomic/molecular massively parallel simulator) and properly recapitulates the full OT force profile beyond the typical linear approximations valid near the trap center. Simulations are carried out with typical system parameters relevant for our experimental holographic optical trapping (HOT) system, including varied particle sizes, trap movement speeds, and beam powers. Furthermore, we present a new experimental method for measuring both the stable and metastable boundaries of the optical force profile to inform or validate the model’s underlying force profile. We show that our framework is a powerful tool for accurately predicting particle behavior in a practical experimental OT setup and can be used to characterize and predict particle handling dynamics within any arbitrary OT force profile.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Wabash CarbonSAFE Static and Dynamic Modeling: Task 9.0 (Technical Report)

The objective of the Wabash CarbonSAFE project’s static and dynamic modeling task is to assess the feasibility of storing 50 million tonnes (1.67 million metric tonnes annually; MMTA) of industrially-sourced carbon dioxide (CO 2 ) in a commercial-scale geological storage complex at Wabash Valley Resources LLC (WVR) gasification facility near Terre Haute, Indiana over a period of 30 years. The targeted formations for storing CO 2 are: 1) Mt. Simon Sandstone (MSS) and the 2) Potosi Dolomite (Knox Group). All of the available data from the recently drilled Wabash #1 stratigraphic test well (now plugged and abandoned) were used in the construction of both the static and dynamic models. Geologic models were constructed to characterize both the Mt. Simon Sandstone and Potosi Dolomite storage complexes. Dynamic simulation models were constructed and used to assess the feasibility of injecting CO 2 into the Mt. Simon and Potosi formations. The geocellular models for the Potosi Dolomite and Mt. Simon Sandstone were built using Petrel™, Schlumberger’s reservoir modeling software. The dynamic simulations were run using Landmark’s Nexus ® reservoir simulation software.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Dynamic assessment of urban economy-environment-energy system using system dynamics model: A case study in Beijing

Highlights: • We combine System Dynamics model and Geographic Information System to analyze the energy-environment-economy (3E) system both temporally and spatially, which explicitly explore the interaction of economics, energy, and environment and effects of the key influencing factors. • Beijing is selected as a case study. • Alternative scenarios, e.g., current, technology, energy and environment scenarios are explored and compared. • Simulation results shows that, current scenario is not sustainable; technology scenario is applicable to economic growth; environment scenario maintains a balanced path of development for long term stability. Economic development, accompanying with environmental damage and energy depletion, becomes essential nowadays. There is a complicated and comprehensive interaction between economics, environment and energy. Understanding the operating mechanism of Energy-Environment-Economy model (3E) and its key factors is the inherent part in dealing with the issue. In this paper, we combine System Dynamics model and Geographic Information System to analyze the energy-environment-economy (3E) system both temporally and spatially, which explicitly explore the interaction of economics, energy, and environment and effects of the key influencing factors. Beijing is selected as a case study to verify our SD-GIS model. Alternative scenarios, e.g., current, technology, energy and environment scenarios are explored and compared. Simulation results shows that, current scenario is not sustainable; technology scenario is applicable to economic growth; environment scenario maintains a balanced path of development for long term stability. Policy-making insights are given based on our results and analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Autonomous Closed-Loop Experimental Characterization and Dynamic Model Validation of a Scaled Underwater Kite

This paper presents the closed-loop experimental framework and dynamic model validation for a 1/12-scale underwater kite design. The pool-based tow testing framework described herein, which involves a fully actuated, closed-loop controlled kite and flexible tether, significantly expands upon the capabilities of any previously developed open-source framework for experimental underwater kite characterization. Specifically, the framework has allowed for the validation of three closed-loop flight control strategies, along with a critical comparison between dynamic model predictions and experimental results. In this paper, we provide a detailed presentation of the experimental tow system and kite setup, describe the control algorithms implemented and tested, and quantify the level of agreement between our multi-degree-of-freedom kite dynamic model and experimental data. Finally, we also present a sensitivity analysis that helps to identify the most influential parameters to kite performance and further explain the remaining mismatches between the model and data.

42 ENGINEERING↗
DOE OSTI2013

Dynamic Modeling and Control Studies of a Two-Stage Bubbling Fluidized Bed Adsorber-Reactor for Solid-Sorbent CO{sub 2} Capture

A one-dimensional, non-isothermal, pressure-driven dynamic model has been developed for a two-stage bubbling fluidized bed (BFB) adsorber-reactor for solid-sorbent carbon dioxide (CO{sub 2}) capture using Aspen Custom Modeler® (ACM). The BFB model for the flow of gas through a continuous phase of downward moving solids considers three regions: emulsion, bubble, and cloud-wake. Both the upper and lower reactor stages are of overflow-type configuration, i.e., the solids leave from the top of each stage. In addition, dynamic models have been developed for the downcomer that transfers solids between the stages and the exit hopper that removes solids from the bottom of the bed. The models of all auxiliary equipment such as valves and gas distributor have been integrated with the main model of the two-stage adsorber reactor. Using the developed dynamic model, the transient responses of various process variables such as CO{sub 2} capture rate and flue gas outlet temperatures have been studied by simulating typical disturbances such as change in the temperature, flowrate, and composition of the incoming flue gas from pulverized coal-fired power plants. In control studies, the performance of a proportional-integral-derivative (PID) controller, feedback-augmented feedforward controller, and linear model predictive controller (LMPC) are evaluated for maintaining the overall CO{sub 2} capture rate at a desired level in the face of typical disturbances.

42 ENGINEERING↗