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DOE OSTI2018

Capacity Optimization of a Centralized Charging Station in Joint Operation with a Wind Farm

In the context of large-scale wind power integration and rapid development of electric vehicles (EVs), a joint operation pattern was proposed to use a centralized charging station (CCS) to address high uncertainties incurred by wind power integration. Additionally, this would directly remove the significant indeterminacy of wind power. Because the CCS is adjacent to a wind power gathering station, it could work jointly with wind farms to operate in power system as an independent enterprise. By combining the actual operational characteristics of the wind farm and the CCS, a multidimensional operating index evaluation system was created for the joint system. Based on the wind farm’s known capacity, a multi-target capacity planning model was established for CCS to maximize the probability of realizing diverse indices of the system based on dependent-chance goal programming. In this model, planning and dispatching are combined to improve the feasibility of results in the operational stage. This approach takes the effects of randomness into account for wind power and battery swapping. The model was solved through combining Monte Carlo simulation and a genetic algorithm (GA) based on segmented encoding. Finally, as shown in the simulation results, the proposed model could comprehensively include factors such as initial investment, wind power price, battery life, etc., to optimize CCS capacity and to ultimately improve the operating indices of the joint system.

17 WIND ENERGY↗

DOE OSTI2016

IDC Re-Engineering Phase 2 Iteration E2 Use Case Realizations

This architecturally significant use case describes how the System acquires meteorological data to build atmospheric models used in automatic and interactive processing of infrasound data. The System requests the latest available high-resolution global meteorological data from external data centers and puts it into the correct formats for generation of infrasound propagation models. The system moves the meteorological data from Data Acquisition Partition to the Data Processing Partition and stores the meteorological data. The System builds a new atmospheric model based on the meteorological data. This use case is architecturally significant because it describes acquiring meteorological data from various sources and creating dynamic atmospheric transmission model to support the prediction of infrasonic signal detection

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2016

IDC Re-Engineering Phase 2 Iteration E2 Use Case Realizations

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Analysis of the likelihood of post-closure criticality in a geological disposal facility - 14349

Radioactive Waste Management (RWM) is responsible for implementing geological disposal of the UK's higher activity radioactive wastes. These wastes include significant quantities of fissile nuclides and, therefore, demonstration of the criticality safety of the wastes under disposal conditions forms an important component of RWM's disposal system safety case. At the time of disposal, controls will ensure that all waste packages are sub-critical, and the containment provided by the engineered barrier system of a geological disposal facility (GDF) will ensure that criticality is prevented for some time after disposal. However, as waste packages begin to degrade, fissile and other materials may be mobilised, which could affect the potential for criticality. Therefore, the possibility for the evolution of conditions in a GDF to result in criticality requires assessment. RWM established the 'Likelihood of Criticality' research project to develop qualitative and quantitative arguments to demonstrate that criticality after closure of a GDF is unlikely. The project included consideration of the criticality safety of disposal concepts for intermediate and high level waste, spent fuel, separated plutonium and highly-enriched uranium in different generic geological settings. The results are underpinned by the construction of post-closure criticality scenarios that have been evaluated using high-level judgments about scenario credibility as well as modelling of evolving conditions in a GDF. In the latter case, a probabilistic modelling approach has been undertaken to address uncertainty in the calculation of concentrations and masses of fissile material that could occur at potential accumulation sites. The potential for criticality has been judged based on comparisons of the calculated fissile masses with minimum values required for criticality at different locations in the barrier system. This paper explains the novel approach taken to evaluating the likelihood of criticality in a GDF based on the probabilistic modelling of waste package evolution and plutonium and uranium migration. The role of this research in RWM's work to demonstrate the criticality safety of a GDF in the UK is presented in a companion paper, which also draws on the results of a parallel research project that demonstrates that, even if a criticality were to occur, then its consequences would be insignificant to GDF performance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Intrinsic Efficiency Calibration Considering Geometric Factors in Gamma-ray Computed Tomography for Radioactive Waste Assay

In radioactive waste assay with gamma-ray computed tomography, calibration for intrinsic efficiency of the system is important to the reconstruction of radioactivity distribution. Due to the geometric characteristics of the system, the non-uniformity of intrinsic efficiency for gamma-rays with different incident positions and directions are often un-negligible. Intrinsic efficiency curves versus geometric parameters of incident gamma-ray are obtained by Monte-Carlo simulation, and two intrinsic efficiency models are suggested to characterize the intrinsic efficiency determined by relative source-detector position and system geometry in the system matrix. Monte-Carlo simulation is performed to compare the different intrinsic efficiency models. Better reconstruction results of radioactivity distribution are achieved by both suggested models than by the uniform intrinsic efficiency model. And compared to model based on detector position, model based on point response increases reconstruction accuracy as well as complexity and time of calculation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Isotopically nonstationary 13 C flux analysis of changes in Arabidopsis thaliana leaf metabolism due to high light acclimation

Improving plant productivity is an important aim for metabolic engineering. There are few comprehensive methods that quantitatively describe leaf metabolism, although such information would be valuable for increasing photosynthetic capacity, enhancing biomass production, and rerouting carbon flux toward desirable end products. Isotopically nonstationary metabolic flux analysis (INST-MFA) has been previously applied to map carbon fluxes in photoautotrophic bacteria, which involves model-based regression of transient 13 C-labeling patterns of intracellular metabolites. However, experimental and computational difficulties have hindered its application to terrestrial plant systems. Here, we performed in vivo isotopic labeling of Arabidopsis thaliana rosettes with 13 CO 2 and estimated fluxes throughout leaf photosynthetic metabolism by INST-MFA. Plants grown at 200 µmol m $-$2 s $-$1 light were compared with plants acclimated for 9 d at an irradiance of 500 µmol∙m $-$2 ∙s $-$1 . Approximately 1,400 independent mass isotopomer measurements obtained from analysis of 37 metabolite fragment ions were regressed to estimate 136 total fluxes (54 free fluxes) under each condition. The results provide a comprehensive description of changes in carbon partitioning and overall photosynthetic flux after long-term developmental acclimation of leaves to high light. Despite a doubling in the carboxylation rate, the photorespiratory flux increased from 17 to 28% of net CO 2 assimilation with high-light acclimation (Vc/Vo: 3.5:1 vs. 2.3:1, respectively). In conclusion, this study highlights the potential of 13 C INST-MFA to describe emergent flux phenotypes that respond to environmental conditions or plant physiology and cannot be obtained by other complementary approaches.

13C-labeling↗

DOE OSTI2024

Design, Synthesis, and Validation: Genome Scale Optimization of Energy Flux through Compartmentalized Metabolic Networks in a Model Photosynthetic Eukaryotic Microbe (Final Report)

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methodology and modeling, coupled with high throughput genome engineering strategies, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require significant advances in methodological throughput as well as improvements in detailed systems biology understanding of photosynthetic processes and cellular metabolism. The ability of diatoms to thrive in upwelling-induced, periodically nutrient-rich conditions makes them the base for the world’s shortest and most energy-efficient food webs. Diatom photosynthesis is estimated to account for between 25% and 40% of the 45-50 billion tons of organic carbon fixed annually in the sea.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Longevity of geo-synthetic cover components - 15450

Geo-synthetics form many of the key components in modern landfill cell and final cover designs. Models for the long-term performance assessment of systems incorporating these components have traditionally relied on a small number of standard assumptions originally developed to address the needs of the Resource Conservation and Recovery Act (RCRA) Subtitle D solid waste industry. These past estimates demonstrated that, even under a series of highly conservative factors, the longevity of these components far exceeds the requirements for typical solid waste facilities. Traditionally, the interpretation of the geo-synthetic degradation research has been deterministic as opposed to probabilistic, often due to the relative scarcity of degradation data for particular formulations and environmental conditions. Long-term studies of the mechanical and chemical properties of geo-synthetics subjected to accelerated aging processes have been conducted in an attempt to better quantify their longevity to address applications where performance may be required for 1,000 years or more. Of the many cover system geo-synthetic components, geo-membranes appear to have the most significant impact on the long-term performance of cover systems. Based on available long-term aging studies, a series of property degradation curves and their corresponding model parameters are available for geo-membranes. A strong area of need in the performance assessment of shallow disposal facilities is how to connect these research findings with inputs to probabilistic models. Significantly, factors affecting geo-membrane performance, such as geo-membrane thickness, anti-oxidant package, molecular weight, oxygen exposure, and drainage, can be adjusted and re-engineered using a proposed approach to meet specific performance targets. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Heat release analysis for rapid compression machines: Challenges and opportunities

Heat release analysis (HRA) is commonly used in combustion studies to derive understandings of chemical and physical processes in situations where direct measurement is not practical. In internal combustion engines, it is typically based on crank-angle resolved pressure diagnostics. However, it has not been applied extensively to rapid compression machine datasets. There are various challenges associated with rigorous application of HRA, including a reasonable accounting of physical processes that occur during the test period, such as heat loss. Limitations associated with transducer robustness and data acquisition system fidelity also exist. On the other hand, there is potential to extract a wealth of information from pressure-time histories via HRA, such as quantifying the evolution and trends of preliminary exothermicity, e.g., low- and intermediate-temperature heat release, across a range of thermodynamic conditions; detecting the existence of non-uniform ignition phenomena during a test; and providing additional targets for the evaluation and improvement of chemical kinetic models. Finally, this work discusses such opportunities, and some approaches towards resolving various challenges.

42 ENGINEERING↗

DOE OSTI2024

System Modeling and Robust Stability Region Analysis for Multi-inverters Based on VSG

As the number of inverter-interfaced distributed generators (IIDGs) increases, the decrease in the inertia of the microgrid affects the stability of microgrid voltage and current. The virtual synchronous generator (VSG) control method simulates the output characteristics of the synchronous machine to improve the inertia and damping of the microgrid. However, low-frequency oscillations can occur in systems with multi-VSGs connected in parallel, primarily when operating in island mode. Therefore, this article develops the small-signal state-space model for multi-inverters based on VSG and analyses the robust stability region (RSR) of the control parameters. Firstly, an extensible small-signal state-space model is established and simplified in the dq axis, which is a necessary preprocessing for the subsequent stability analysis. Secondly, the guardian map method based on bialternate product operation is constructed, and the RSR is established through translation mapping and rotation mapping. Therefore, the solution of RSR is transformed into the problem of identifying the Hurwitz matrix. Finally, the simulations and experiments verify that the calculated region can ensure stable operation during startup and meet the requirement to suppress low-frequency oscillations. In conclusion, the method of solving RSR proposed in this paper provides a basis for selecting controller parameters in practical engineering.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Digital Twin Development of FASTR

This work package is focused on creating a digital twin (DT) of the Facility to Alleviate Salt Technology Risks (FASTR) experiment. FASTR is a high-profile facility tasked with maturing molten salt applications such as liquid salt energy storage, concentrated solar power facilities, and molten salt cooling systems supporting other advanced reactor technologies, all of which may be incorporated as components within the Integrated Energy Systems (IES) program. As part of creating a digital twin (DT), verification and validation (V&V) has been performed for the physics-based model, and gaps have been identified. Additionally, a preliminary integration of the FASTR model has been completed with the existing physics-based model of the Thermal Energy Distribution System (TEDS)/Microreactor AGile Non-nuclear Experimental Testbed (MAGNET) facility at Idaho National Laboratory (INL). A Functional Mock-up Unit (FMU) of the physics-based system model and a reduced-order model (ROM) were both used to test for a preliminary hardware in the loop operation when the physical loop was offline. Future tasks could include improving the physics-based model to better match the available experimental data, improving the hardware in the loop integration, and improving the integration with the TEDS model.

14 SOLAR ENERGY↗

DOE OSTI2019

CFD design-load analysis of a two-body wave energy converter

Wave energy converters (WECs) must survive in a wide variety of conditions while minimizing structural costs, so as to deliver power at cost-competitive rates. Although engineering design and analysis tools used for other ocean systems, such as offshore structures and ships, can be applied, the unique nature and limited historical experience of WEC design necessitates assessment of the effectiveness of these methods for this specific application. This paper details a study to predict extreme loading in a two-body WEC using a combination of mid-fidelity and high-fidelity numerical modeling tools. The mid-fidelity approach is a time-domain model based on linearized potential flow hydrodynamics and the high-fidelity modeling tool is an unsteady Reynolds-averaged Navier–Stokes model. In both models, the dynamics of the WEC power take-off and mooring system have been included. For the high-fidelity model, two design wave approaches (an equivalent regular wave and a focused wave) are used to estimate the worst case wave forcing within a realistic irregular sea state. These simplified design wave approaches aim to capture the extreme response of the WEC within a feasible amount of computational effort. When compared to the mid-fidelity model results in a long-duration irregular sea, the short-duration design waves simulated in CFD produce upper percentile load responses, hinting at the suitability of these two approaches.

16 TIDAL AND WAVE POWER↗

DOE OSTI2014

CFD modeling of multiphase reacting flow in blast furnace shaft with layered burden

The ironmaking blast furnace is a counter-current chemical reactor which includes the ascending gas flow and the counter-current descending porous bed (burden). A Computational Fluid Dynamics (CFD) model has been developed to simulate the multiphase reacting flow in blast furnace shaft. The gas flow dynamics, burden movement, chemical reactions, heat and mass transfer between the gas phase and burden phase are included in the CFD model. The blast furnace burden consists of alternative layers of iron ore and coke. We propose a novel methodology in order to efficiently model the effects of alternative burden layer structure on gas flow, heat transfer, mass transfer and chemical reactions. Different reactions and heat transfer characteristics are applied for difference types of layer. In addition, the layered CFD model accurately predicts the Cohesive Zone (CZ) shape where the melting of solid burden taking place. Furthermore, we determine the shape and location of the CZ by an iterative method based on the ore temperature distribution. The theoretical formation and the methodology of the CFD model are presented and the model is applied to simulate industry blast furnaces. Finally, the proposed method can be applied to investigate the blast furnace shaft process and other moving bed system with periodic burden structure configuration.

42 ENGINEERING↗

DOE OSTI2025

Programmable simulations of molecules and materials with reconfigurable quantum processors

Simulations of quantum chemistry and quantum materials are believed to be among the most important applications of quantum information processors. However, realizing practical quantum advantage for such problems is challenging because of the prohibitive computational cost of programming typical problems into quantum hardware. Here we introduce a simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians that uses reconfigurable qubit architectures to simulate real-time dynamics in a programmable way. Our approach also introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital–analogue simulation toolbox for efficient Hamiltonian time evolution using digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin–spin interactions. As an example, we propose an implementation based on Rydberg atom arrays. In addition, we show how detailed spectral information can be extracted from the dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. To illustrate the approach, we show how to use the method to compute key properties of a polynuclear transition-metal catalyst and two-dimensional magnetic materials.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Data-Enabled Predictive Control for Building HVAC Systems

Model predictive control is widely used as a control technology for the computation of optimal control inputs of building heating, ventilating, and air conditioning (HVAC) systems. However, both the benefits and widespread adoption of model predictive control (MPC) are hindered by the effort of model creation, calibration, and accuracy of the predictions. In this paper, we apply the data-enabled predictive control (DeePC) algorithm for designing controls for building HVAC systems. The algorithm solely depends on input/output data from the system to predict future state trajectories without the need for system identification. The algorithm relies on the idea that a vector space of all input–output trajectories of a discrete-time linear time-invariant (LTI) system is spanned by time-shifts of a single measured trajectory, given the input signal is persistently exciting. Closed-loop simulations using EnergyPlus are performed to demonstrate the approach. The simulated building modeled in EnergyPlus is a modified commercial large office prototype building served by an air handling unit-variable air volume HVAC system. Temperature setpoints of zones are used as control variables to minimize the HVAC energy cost of the building considering a time-of-use electricity rate structure. Furthermore, sensitivity analysis is conducted to gain insights into the effect of parameter tuning on DeePC performance. Simulation results are used to illustrate the performance of the algorithm and compare the algorithm with model-based MPC and occupancy-based setpoint controller. Overall, DeePC achieves similar performance compared to MPC for lower engineering effort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Potential Energy Implications of Connected and Automated Vehicles: Exploring Key Leverage Points through Scenario Screening and Analysis

Connected and automated vehicle (CAV) technologies could transform the transportation system over the coming decades, but face vehicle and systems engineering challenges, as well as technological, economic, demographic, and regulatory issues. The authors have developed a system dynamics model for generating, analyzing, and screening self-consistent CAV adoption scenarios. Results can support selection of scenarios for subsequent computationally intensive study using higher-resolution models. The potential for and barriers to large-scale adoption of CAVs have been analyzed using preliminary quantitative data and qualitative understandings of system relationships among stakeholders across the breadth of these issues. Although they are based on preliminary data, the results map possibilities for achieving different levels of CAV adoption and system-wide fuel use and demonstrate the interplay of behavioral parameters such as how consumers value their time versus financial parameters such as operating cost. By identifying the range of possibilities, estimating the associated energy and transportation service outcomes, and facilitating screening of scenarios for more detailed analysis, this work could inform transportation planners, researchers, and regulators.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Virtual Simulation of Spent Nuclear Fuel Repackaging Facility Design Concepts - 19479

This paper presents recent implementation of virtual simulation of SNF repackaging facility operation. The development was based on recent wet and dry facility design concepts. The development involved creating equipment and facility models and implementation of discrete event simulation of large-scale facility-level operation. Lastly, it presented how a hardware-in-the-loop simulation is possible and that a good amount of accuracy was retained from virtual simulation to hardware simulation for the tested configuration. It is expected that this type of simulation will act as a proof of concept for system engineers and help them make more informed decisions when considering potential solutions for SNF handling and disposal. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

MO-E-18C-01: Open Access Web-Based Peer-To-Peer Training and Education in Radiotherapy

Purpose: Current training and education delivery models have limitations which result in gaps in clinical proficiency with equipment, procedures, and techniques. Educational and training opportunities offered by vendors and professional societies are by their nature not available at point of need or for the life of clinical systems. The objective of this work is to leverage modern communications technology to provide peer-to-peer training and education for radiotherapy professionals, in the clinic and on demand, as they undertake their clinical duties. Methods: We have developed a free of charge web site ( https://i.treatsafely.org ) using the Google App Engine and datastore (NDB, GQL), Python with AJAX-RPC, and Javascript. The site is a radiotherapy-specific hosting service to which user-created videos illustrating clinical or physics processes and other relevant educational material can be uploaded. Efficient navigation to the material of interest is provided through several RT specific search tools and videos can be scored by users, thus providing comprehensive peer review of the site content. The site also supports multilingual narration\translation of videos, a quiz function for competence assessment and a library function allowing groups or institutions to define their standard operating procedures based on the video content. Results: The website went live in August 2013 and currently has over 680 registered users from 55 countries; 27.2% from the United States, 9.8% from India, 8.3% from the United Kingdom, 7.3% from Brazil, and 47.5% from other countries. The users include physicists (57.4%), Oncologists (12.5%), therapists (8.2%) and dosimetrists (4.8%). There are 75 videos to date including English, Portuguese, Mandarin, and Thai. Conclusion: Based on the initial acceptance of the site, we conclude that this open access web-based peer-to-peer tool is fulfilling an important need in radiotherapy training and education. Site functionality should expand in the future to include document sharing and continuing education credits.

61 RADIATION PROTECTION AND DOSIMETRY↗