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At least 739 records · Page 41

Applying Particle Swarm Optimization and Extended Kalman Filtering to Model Kaplan Generation Dynamics for Hydropower Systems

Variable renewable generation is increasing the need for hydropower plants to provide fast and flexible grid support, which places new demands on plant-level dynamic models used for monitoring, control, and operational decision-making. This need is especially important for hydroelectric systems, where turbine and generator dynamics are strongly coupled, nonlinear, and time-varying, making accurate real-time representation difficult. To address this problem, this paper develops a digital twin (DT) framework for a synchronous generator–Kaplan turbine system using an explicit separation of slow turbine dynamics and fast generator dynamics. The turbine subsystem is represented by a six-coefficient model, whose parameters are identified offline using particle swarm optimization, while the generator subsystem is updated online through an extended Kalman filter for real-time state and parameter estimation. These models are integrated within a closed-loop simulation that includes a proportional–integral–derivative–double-derivative governor and excitation system, allowing the DT to track plant behavior under realistic operating conditions. Unlike prior studies that treat turbine and generator modeling separately or rely mainly on simulated inputs, the proposed framework is validated using real operational data from a hydropower plant. Results show that the DT reproduces terminal voltage, active power, and reactive power with a normalized root mean square error of approximately 5%. This hybrid offline–online formulation constitutes the main contribution of the work, providing an adaptive and practically deployable DT for hydropower systems with direct relevance to control improvement, performance monitoring, and grid-support applications under high renewable penetration.

13 HYDRO ENERGY↗

Matlab implementation of a novel semi-structured kinetic model for methanotroph-photoautotroph cocultures

This paper presents the MatLab implementation details of a novel semi-structured kinetic model for methanotroph-photoautotroph cocultures. This includes the parameterization of the modeling equations, and the initialization of the simulation based on experimental conditions. More importantly, it provides details on how the differential equations governing mass balances in both gas and liquid phases are integrated together to simulate the system dynamics over time. The semi-structured kinetic model for methanotroph-photoautotroph coculture is validated using a wide range of experimental conditions. The model: Accurate predicts both the coculture growth in liquid phase and the gas composition changes in head space over time; Explicitly models the exchange of in situ produced O 2 and CO 2 within the coculture; Considers the self-shading effect on the growth of photoautotroph.

42 ENGINEERING↗

A Librational Model for the Propeller Blériot in the Saturnian Ring System

The reconstruction of the orbital evolution of the propeller structure Blériot orbiting in Saturn’s A ring from recurrent observations in Cassini ISS images yielded a considerable offset motion from the expected Keplerian orbit. This offset motion can be composed by three sinusoidal harmonics with amplitudes and periods of 1845, 152, 58 km and 11.1, 3.7, and 2.2 years, respectively. In this paper we present results from N -body simulations, where we integrated the orbital evolution of a moonlet, which is placed at the radial position of Blériot under the gravitational action of the Saturnian satellites. Our simulations yield that, especially the gravitational interactions with Prometheus, Pandora, and Mimas are forcing the moonlet to librate with the right frequencies, but the libration amplitudes are too small to explain the observations. Thus, further mechanisms are needed to explain the amplitudes of the forced librations—e.g., moonlet–ring interactions. Here, we develop a model, where the moonlet is allowed to be slightly displaced with respect to its created gaps breaking the point symmetry and causing a repulsive force in this way. As a result, the evolution of the moonlet’s longitude can be described by a harmonic oscillator. In the presence of external forcing by the outer moons, the libration amplitudes get the more amplified the closer the forcing frequency is to the eigenfrequency of the disturbed propeller oscillator. Applying our model to Blériot, it is possible to reproduce a libration period of 13 years with an amplitude of about 2000 km.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulated Land Allocation, Nitrogen Use, and Nitrogen Loss in the Mississippi Atchafalaya River Basin for Various RFS2 (Renewable Fuel Standard) Policy Scenarios

Total nitrogen leaching rates were calculated over the Mississippi Atchafalaya River Basin (MARB) using an integrated economic-biophysical modeling approach. Land allocation for corn production and total nitrogen application rates were calculated for crop reporting districts using the Biofuel and Environmental Policy Analysis Model (BEPAM) for 5 RFS2 policy scenarios. These were used as input in the Integrated BIosphere Simulator-Agricultural Version (Agro-IBIS) and the Terrestrial Hydrologic Model with Biogeochemistry (THMB) to calculate the nitrogen loss. Land allocation and total nitrogen application simulations were simulated for the period 2016-2030 for 303 crop reporting districts (https://www.nass.usda.gov/Data_and_Statistics/County_Data_Files/Frequently_Asked_Questions/county_list.txt). The final 2030 values are reported here. Both are stored in csv files. Units for land allocation are million ha and nitrogen application are million kg. The nitrogen leaching rates were modeled with a spatial resolution of 5' x 5' using the North American Datum of 1983 projection and stored in NetCDF files. The 30-year average is calculated over the last 30 years of the 45 years being simulated. Leaching rates are calculated in kg-N/ha.

bioenergy crops↗

Studying the Impact of Distributed Solar PV on Power Systems Using Integrated Transmission and Distribution Models

Rapid growth of distributed energy resources has prompted increasing interest in integrated Transmission (T) and Distribution (D) modeling. This paper presents the results of a distributed generation from solar photovoltaics (DGPV) impact assessment study that was performed using a synthetic T &D model. The primary objective of the study was to present a new approach for DGPV impact assessment, where along with detailed models of transmission and distribution networks, consumer loads were modeled using the physics of end-use equipment, and DGPV was geographically dispersed and connected to the secondary distribution networks. The study highlights (i) how a lack of DGPV forecasting can increase the Area Control Error (ACE) at the transmission level for high penetration levels; and (ii) how capturing transmission voltage changes using integrated T &D can change simulated distribution voltage profiles and voltage regulator operations between integrated T &D and distribution-only simulations.

14 SOLAR ENERGY↗

VisMetHack2022: Visualizing winds and surface variables from the ECMWF IFS 1-km nature run

This data collection was contributed to the Visualisation Hackathon 2022 (#VisMetHack2022), in conjunction with the Using ECMWF's Forecasts (UEF2022) workshop. The European Center for Medium-Range Weather Forecasts (ECMWF) and the Oak Ridge National Laboratory (ORNL) are pleased to announce access to the data collection from global 1-km nature run (NR) simulations using the Integrated Forecast System (IFS) with explicit convection. We invite you to join us in exploring this precursor to a digital twin of the earth! The NR simulations reveal unprecedented detail of the earth’s atmosphere, and the then outgoing Editor-in-Chief of AGU JAMES commended the project as one of “stunning ambitions,” enabled by computational capacity at scale. The project also won the 2020 HPCwire Readers Choice Award for Best Use of HPC in Physical Sciences. A set of two NR seasonal simulations have been completed, one corresponding to the northern hemispheric winter months (NDJF) and the other for the North Atlantic tropical cyclone season (ASO). The project used the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). The simulations were facilitated with an INCITE award from the US Department of Energy Office of Science. For the first seasonal run of four months (NDJF), the hydrostatic IFS model was initialized at 00Z on 1 November 2018. The NR for the TC season (AS) was initialized at 00Z on 1 August 2019. The NR simulations were constrained only by sea surface temperatures (SST) at the lower boundary. The IFS output was saved every 3 hours. After feedback and interest from the scientific community, the simulations were rerun for four specific extreme events, with output every 15 minutes. The special cases include a tropical cycle and three severe storm events over the continental USA.

54 ENVIRONMENTAL SCIENCES↗

Simulations of Surface Effects and Electron Emission from Diamond-Amplifier Cathodes

Emission of electrons in diamond experiments based on the promising diamond-amplifier concept was recently demonstrated. Transmission mode experiments have shown the potential to realize over two orders of magnitude charge amplification. However, the recent emission experiments indicate that surface effects should be understood in detail to build cathodes with optimal properties. We have made progress in understanding secondary electron generation and charge transport in diamond with models we implemented in the VORPAL particle-in-cell computational framework. We introduce models that we have been implementing for surface effects (band bending and electron affinity), charge trapping, and electron emission from diamond. Then, we present results from 3D VORPAL diamond-vacuum simulations with the integrated capabilities on generating electrons and holes, initiated by energetic primary electrons, charge transport, and then emission of electrons from diamond into vacuum. Finally, we discuss simulation results on the dependence of the electron emission on diamond surface properties.

43 PARTICLE ACCELERATORS↗

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗

The Quest for Accurate Liquid Water Properties from First Principles

Developing accurate ab initio molecular dynamics (AIMD) models that capture both electronic reorganization and nuclear quantum effects associated with hydrogen bonding is key to quantitative understanding of bulk water and its anomalies, as well as its role as a universal solvent. For condensed phase simulations, AIMD has typically relied on the generalized gradient approximation (GGA) of Density Functional Theory (DFT) as the underlying model chemistry for the potential energy surface, with nuclear quantum effects (NQEs) sometimes modeled by performing classical molecular dynamics simulations at elevated temperatures. Here we show that the properties of liquid water obtained from the meta-GGA B97M-rV functional, when evaluated using accelerated path integral molecular dynamics simulations, displays accuracy comparable to a computationally expensive dispersion corrected hybrid functional, revPBE0-D 3 . We show that the meta-GGA DFT reproduces bulk water properties including radial distribution functions, self-diffusion coefficients, and infrared (IR) spectra with comparable accuracy of a much more expensive hybrid functional. In conclusion, this work demonstrates that the underlying quality of a good DFT functional requires evaluation with quantum nuclei, and that high temperature simulations are a poor proxy for properly treating nuclear quantum effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Whole cell simulator

A whole cell model (WCM) is a comprehensive multi-scale computational model representing all the known biochemical processes in a cell. It relies on a variety of intracellular pathway models and omics data. This computational framework enables seamless integration of diverse simulation methods used in WCM such as stochastic simulation algorithm (SSA), ordinary differential equations (ODE), flux balance analysis (FBA), and logic-based approaches. These methods run simultaneously, not only for whole pathways but also for subsets of reactions. Furthermore, we aim to enable dynamic switching between the methods when beneficial. Is

GEORGAKOUDIS, GIORGIS↗

Advanced virtual energy simulation training and research: IGCC with CO2 capture power plant

In this presentation, we highlight the deployment of a real-time dynamic simulator of an integrated gasification combined cycle (IGCC) power plant with CO{sub 2} capture at the Department of Energy's (DOE) National Energy Technology Laboratory's (NETL) Advanced Virtual Energy Simulation Training and Research (AVESTARTM) Center. The Center was established as part of the DOE's accelerating initiative to advance new clean coal technology for power generation. IGCC systems are an attractive technology option, generating low-cost electricity by converting coal and/or other fuels into a clean synthesis gas mixture in a process that is efficient and environmentally superior to conventional power plants. The IGCC dynamic simulator builds on, and reaches beyond, conventional power plant simulators to merge, for the first time, a 'gasification with CO{sub 2} capture' process simulator with a 'combined-cycle' power simulator. Fueled with coal, petroleum coke, and/or biomass, the gasification island of the simulated IGCC plant consists of two oxygen-blown, downward-fired, entrained-flow, slagging gasifiers with radiant syngas coolers and two-stage sour shift reactors, followed by a dual-stage acid gas removal process for CO{sub 2} capture. The combined cycle island consists of two F-class gas turbines, steam turbine, and a heat recovery steam generator with three-pressure levels. The dynamic simulator can be used for normal base-load operation, as well as plant start-up and shut down. The real-time dynamic simulator also responds satisfactorily to process disturbances, feedstock blending and switchovers, fluctuations in ambient conditions, and power demand load shedding. In addition, the full-scope simulator handles a wide range of abnormal situations, including equipment malfunctions and failures, together with changes initiated through actions from plant field operators. By providing a comprehensive IGCC operator training system, the AVESTAR Center is poised to develop a workforce well-prepared to operate and control commercial-scale gasification-based power plants capable of 90% pre-combustion CO{sub 2} capture and compression, as well as low sulfur, mercury, and NOx emissions. With additional support from the NETL-Regional University Alliance (NETL-RUA), the Center will educate and train engineering students and researchers by providing hands-on 'learning by operating' experience The AVESTAR Center also offers unique collaborative R&D opportunities in high-fidelity dynamic modeling, advanced process control, real-time optimization, and virtual plant simulation. Objectives and goals are aimed at safe and effective management of power generation systems for optimal efficiency, while protecting the environment. To add another dimension of realism to the AVESTAR experience, NETL will introduce an immersive training system with innovative three-dimensional virtual reality technology. Wearing a stereoscopic headset or eyewear, trainees will enter an interactive virtual environment that will allow them to move freely throughout the simulated 3-D facility to study and learn various aspects of IGCC plant operation, control, and safety. Such combined operator and immersive training systems go beyond traditional simulation and include more realistic scenarios, improved communication, and collaboration among co-workers.

01 COAL, LIGNITE, AND PEAT↗

Modeling and Simulations of Electron Emission from Diamond-Amplified Cathodes

Emission of electrons from a diamond-amplified cathode was recently demonstrated. This experiment was based on a promising new concept for generation of high-current, high-brightness, and low thermal emittance electron beams. The measurements from transmission and emission experiments have shown the potential to realize the diamond-amplified cathode concept. However, the results indicate that the involved physical properties should be understood in greater detail to build diamond cathodes with optical properties. We have already made progress in understanding the secondary electron generation and charge transport in diamond with the models we implemented in the VORPAL computational framework. We have been implementing models for electron emission from diamond and will present results from 3D VORPAL simulations with the integrated capabilities on generating electrons and holes, initiated by energetic primary electrons, propagation of the charge clouds, and then the emission of electrons into diamond. We will discuss simulation results on the dependence of the electron emission on diamond surface properties.

43 PARTICLE ACCELERATORS↗

Co-Simulation of Detailed Whole Building with the Power System to Study Smart Grid Applications

Modernization of the power system in a way that ensures a sustainable energy system is arguably one of the most pressing concerns of our time. Buildings are important components in the power system. First, they are the main consumers of electricity and secondly, they do not have constant energy demand. Conventionally, electricity has been difficult to store and should be consumed as it is generated. Therefore, maintaining the demand and supply is critical in the power system. However, to reduce the complexity of power models, buildings (i.e., end-use loads) are traditionally modeled and represented as aggregated “dumb” nodes in the power system. This means we lack effective detailed whole building energy models that can support requirements and emerging technologies of the smart power grid. To gain greater insight into the relationship between building energy demand and power system performance, it is important to constitute a co-simulation framework to support detailed building energy modeling and simulation within the power system to study capabilities promised by the modern power grid. This paper discusses ongoing work at Pacific Northwest National Laboratory and presents underlying tools and framework needed to enable co-simulation of building, building energy systems and their control in the power system to study applications such as demand response, grid-based HVAC control, and deployment of buildings for ancillary services. The optimal goal is to develop an integrated modeling and simulation platform that is flexible, reusable, and scalable. Results of this work will contribute to future building and power system studies, especially those related to the integrated ‘smart grid’. Results are also expected to advance power resiliency and local (micro) scale grid studies where several building and renewable energy systems transact energy directly. This paper also reviews some applications that can be supported and studied using the framework introduced to understand their implications before they can be successfully implemented in the power system.

Makhmalbaf, Atefe↗

Dynamics of Energy Transfer and Soft-Landing in Collisions of Protonated Dialanine with Perfluorinated Self-Assembled Monolayer Surfaces

Chemical dynamics simulations are reported which provide atomistic details of collisions of protonated dialanine, ala2-H+, with a perfluorinateted octanethiolate self-assembled monolayer (F-SAM ) surface. The simulations are performed at collisions energy Ei of 5.0, 13.5, 22.5, 30.00, and 70 eV, and incident angles 0o 0 (normal) and grazing 45o. Excellent agreement with experiment (J. Am. Chem. Soc. 2000, 122, 9703-9714) is found for both the average fraction and distribution of the collision energy transferred to the ala2-H+ internal degrees of freedom. The dominant pathway for this energy transfer is to ala2-H+ vibration, but for Ei = 5.0 eV ~20% of the energy transfer is to ala2-H+ rotation. Energy transfer to ala2-H+ rotation decreases with increase in Ei and becomes negligible at high Ei. Three types of collisions are observed in the simulations: i.e. those for which ala2-H+ (1) directly scatters off the F-SAM surface; (2) sticks/physisorbs on//in the surface, but desorbs within the 10 ps numerical integration of the simulations; and (3) remains trapped (i.e. soft-landed) on/in the surface when the simulations are terminated. Penetration of the F-SAM by ala2-H+ is important for the latter two types of events. The trapped trajectories are expected to have relatively long residence times on the surface, since a previous molecular dynamics simulation (J. Phys. Chem. B 2014, 118, 5577-5588) shows that thermally accommodated ala2-H+ ions have an binding energy with the F-SAM surface of at least ~15 kcal/mol.

Pratihar, Subha↗

Effect of air path heat losses at different locations in vapor compression-based clothes dryer: Quasi-steady modeling and design implications

Clothes drying is among the most power-intensive household end uses, and vapor compression-based clothes dryers offer substantial energy cost savings compared with conventional electric heater dryers. However, parasitic heat losses along the air path, that is, heat loss at the upstream of the drum, inside the drum, and at downstream of the drum, remain rarely quantified, but can strongly affect overall performance according to experiments. Here, this study enhances a vapor compression simulation model by integrating a validated drum model using a dimensionless heat-and-mass-transfer effectiveness correlation derived from 63 drying tests in the literature to form a quasi-steady dryer simulation model. The model is validated against laboratory measurements of a baseline dryer. The impact of heat losses is simulated at three locations and explored through 16 heat loss cases spanning two loads (2 and 5 kg), two airflow rates, and multiple loss distributions. For a 5 kg wet load, eliminating pre-drum and in-drum losses reduces total energy use by up to 34–35% and shortens drying time by 27–38% compared with the baseline. At a 2 kg wet load, introducing post-drum heat loss lowers energy costs by up to 23% and reduces operation time by up to 57% compared with the baseline. The results demonstrate that the impact of heat loss is location dependent. Vapor compression dryers should minimize pre-drum and in-drum losses while potentially exploiting post-drum heat dissipation to enhance the drying rate and energy cost savings.

Dryer↗

Real-time Distribution Simulation and Application Development for Power Systems Education

To help bridge the gap between traditional power system engineering instruction and emerging industry needs, a new set of classroom and research tools are needed. Real-time simulation tools emulating power system control room software present an opportunity to introduce students to the array of operational considerations, technical challenges, and decision-making associated with power system operations. The GridAPPS-D platform is proposed to support coursework and academic research as it provides an open-source platform for simulation, application development, and software integration. The GridAPPS-D platform, simulation capabilities, development environment, and interactive training are discussed in the context of lessons-learned from implementation for undergraduate and graduate students in the US and India. A series of potential GridAPPS-D supported academic capabilities are introduced.

Active distribution networks, open educational res↗

SU-E-T-55: A Novel Applicator for High Dose Rate Brachytherapy Treatments of Ocular Conjunctiva

Purpose: To evaluate the clinical feasibility of IntraBeam intra operative kV irradiation beam device for ocular conjunctiva treatments. The Intra-Beam system offers a 4.4 mm diameter needle applicator, that is not suitable for treatment of a large surface with limits access. We propose an adaptor that will answer to this clinical need and provide initial dosimetry. Methods: The dose distribution of the needle applicator is non uniform and hence not suitable for treatment of relatively large surfaces. We designed an adapter to the needle applicator that will filter the X-rays and produce a conformal dose distribution over the treatment area while shielding surfaces to be spared. Dose distributions were simulated using FLUKA is a fully integrated particle physics Monte Carlo simulation package. Results: We designed a wedge applicator made of Polythermide window and stainless steel for collimating. We compare the dose distribution to that of the known needle and surface applicators. Conclusion: Initial dosimetry shows feasibility of this approach. While further refinements to the design may be warranted, the results support construction of a prototype and confirmation of the Monte Carlo dosimetry with measured data.

60 APPLIED LIFE SCIENCES↗

Pellet injection into H-mode ITER plasma with the presence of internal transport barriers

The impacts of pellet injection into ITER type-1 ELMy H-mode plasma with the presence of internal transport barriers (ITBs) are investigated using self-consistent core-edge simulations of 1.5D BALDUR integrated predictive modeling code. In these simulations, the plasma core transport is predicted using a combination of a semi-empirical Mixed B/gB anomalous transport model, which can self-consistently predict the formation of ITBs, and the NCLASS neoclassical model. For simplicity, it is assumed that toroidal velocity for {omega}{sub E Multiplication-Sign B} calculation is proportional to local ion temperature. In addition, the boundary conditions are predicted using the pedestal temperature model based on magnetic and flow shear stabilization width scaling; while the density of each plasma species, including both hydrogenic and impurity species, at the boundary are assumed to be a large fraction of its line averaged density. For the pellet's behaviors in the hot plasma, the Neutral Gas Shielding (NGS) model by Milora-Foster is used. It was found that the injection of pellet could result in further improvement of fusion performance from that of the formation of ITB. However, the impact of pellet injection is quite complicated. It is also found that the pellets cannot penetrate into a deep core of the plasma. The injection of the pellet results in a formation of density peak in the region close to the plasma edge. The injection of pellet can result in an improved nuclear fusion performance depending on the properties of pellet (i.e., increase up to 5% with a speed of 1 km/s and radius of 2 mm). A sensitivity analysis is carried out to determine the impact of pellet parameters, which are: the pellet radius, the pellet velocity, and the frequency of injection. The increase in the pellet radius and frequency were found to greatly improve the performance and effectiveness of fuelling. However, changing the velocity is observed to exert small impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗