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At least 1,081 records · Page 60

Impact of various DIII-D diagnostics on the accuracy of neural network surrogates for kinetic EFIT reconstructions

Abstract Kinetic equilibrium reconstructions make use of profile information such as particle density and temperature measurements in addition to magnetics data to compute a self-consistent equilibrium. They are used in a multitude of physics-based modeling. This work develops a multi-layer perceptron (MLP) neural network (NN) model as a surrogate for kinetic Equilibrium Fitting (EFITs) and trains on the 2019 DIII-D discharge campaign database of kinetic equilibrium reconstructions. We investigate the impact of including various diagnostic data and machine actuator controls as input into the NN. When giving various categories of data as input into NN models that have been trained using those same categories of data, the predictions on multiple equilibrium reconstruction solutions (poloidal magnetic flux, global scalars, pressure profile, current profile) are highly accurate. When comparing different models with different diagnostics as input, the magnetics-only model outputs accurate kinetic profiles and the inclusion of additional data does not significantly impact the accuracy. When the NN is tasked with inferring only a single target such as the EFIT pressure profile or EFIT current profile, we see a large increase in the accuracy of the prediction of the kinetic profiles as more data is included. These results indicate that certain MLP NN configurations can be reasonably robust to different burning-plasma-relevant diagnostics depending on the accuracy requirements for equilibrium reconstruction tasks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling of RMS Current in CSI Filter Capacitor and Minimum Conduction Loss Operation of CSI-Fed PMSM Drives for Traction Applications

This paper presents a new minimum conduction loss (MCL) torque control algorithm for current source inverter- (CSI-) fed permanent-magnet synchronous machine drives that improves the overall machine drive efficiency by minimizing the combined conduction losses in the inverter and machine at each operating point. First, analytical models of conduction losses in CSI-fed motor drives are presented, and a closed-form expression for optimal d-axis stator current to achieve MCL operation is derived. An expression for the rms current in both wye- and delta-connected CSI output capacitors is derived. A detailed simulation model that emulates the operation of a 100 kW SiC CSI-fed integrated machine drive (IMD) has been developed based on experimental results and finite element analysis. This simulation model is used to evaluate the proposed MCL control algorithm applied to a CSI-fed IMD system for a battery-electric vehicle traction drive, and the predicted total drive system loss with MCL control is compared to predicted losses with maximum-torque-per-ampere (MTPA) and minimum dc-link current (MDCC) control. Results show that MCL control can achieve loss reductions compared to the other two control algorithms over a wide range of operating conditions, with significant loss reductions >20% in the medium-speed regime.

42 ENGINEERING↗

Validation and Recalibration of the Solubility Models in Support of the Heater Test in Salt Formations

The US Department of Energy Office of Nuclear Energy is conducting a brine availability heater test to characterize the thermal, mechanical, hydrological and chemical response of salt at elevated temperatures. In the heater test, brines will be collected and analyzed for chemical compositions. In order to support the geochemical modeling of chemical evolutions of the brines during the heater test, we are recalibrating and validating the solubility models for the mineral constituents in salt formations up to 100°C, based on the solubility data in multiple component systems as well as simple systems from literature. In this work, we systematically compare the model-predicted values based on the various solubility models related to the constituents of salt formations, with the experimental data. As halite is the dominant constituent in salt formations, we first test the halite solubility model in the Na-Mg-Cl dominated brines. We find the existing halite solubility model systematically over-predict the solubility of halite. We recalibrate the halite model, which can reproduce halite solubilities in Na-Mg-Cl dominated brines well. As gypsum/anhydrite in salt formations controls the sulfate concentrations in associated brines, we test the gypsum solubility model in NaCl solutions up to 5.87 mol•kg –1 from 25 ° C to 50 ° C. The testing shows that the current gypsum solubility model reproduces the experimental data well when NaCl concentrations are less than 1 mol•kg –1 . However, at NaCl concentrations higher than 1, the model systematically overpredicts the solubility of gypsum. In the Na + —Cl – —SO 4 2– —CO 3 2– system, the validation tests up to 100 ° C demonstrate that the model excellently reproduces the experimental data for the solution compositions equilibrated with one single phase such as halite (NaCl) or thenardite (Na 2 SO 4 ), with deviations equal to, or less than, 1.5 %. The model is much less ideal in reproducing the compositions in equilibrium with the assemblages of halite + thenardite, and of halite + thermonatrite (Na 2 CO 3 •H 2 O), with deviations up to 31 %. The high deviations from the experimental data for the multiple assemblages in this system at elevated temperatures may be attributed to the facts that the database has the Pitzer interaction parameters for Cl – —CO 3 2– and SO 4 2– —CO 3 2– only at 25 ° C. Finally, in the Na + —Ca 2+ —SO 4 2– —HCO 3 – system, the validation tests also demonstrate that the model reproduces the equilibrium compositions for one single phase such as gypsum better than the assemblages of more than one phase.

36 MATERIALS SCIENCE↗

Identifying Suspect Instrument Intervals Using Midnight Noise Time Histories

With an intense work ethic, and high levels of devotion to their craft, seismologists continue to battle the elements and wrestle with complex logistics in their efforts to field instrumentation over the entire globe. We are fortunate to see data volumes accelerating in size, and quality continuing to improve; for example, universal timing issues can now be considered rare. However, instrument response issues are still common, and can hinder research that seeks to understand amplitudes of seismic wavefields. We are interested in using the accumulations of seismic data to develop models that will predict high frequency (0.2-20 Hz, and higher) signal amplitudes for explosion monitoring purposes over broad areas, which requires large data sets and extensive quality control. To identify response and station health issues, we have collected noise time histories for global seismic data, focusing on measurements near (but not restricted to) midnight to eliminate diurnal variations, and have manually determined time intervals that appear inconsistent with background behavior. We assign descriptive labels, but do not attempt to diagnose causes. We use these intervals to discard data. To date, we have examined 39,260 channels from 11,105 stations, heavily weighted toward IRIS holdings, dates through 2017 (depending on station, roughly the date we started our manual review), bands between 1 and 8 Hz, finding 24,733 anomalous time intervals. The great majority (90%) of these intervals appear to be shifts of constant offset, often bounded by times of known instrument changes, likely the result of poor documentation of response parameters at one of many stages between the field and the plotter. We hope these results can be of use to our colleagues, and would encourage community efforts to diagnose anomalous behavior, and fix poor responses. We also hope these results will support automation efforts, including application of supervised learning techniques.

47 OTHER INSTRUMENTATION↗

End-to-End Differentiable Modeling and Management of the Environment

Focal Area: (2) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization. We emphasize the importance of leveraging optimization techniques from AI/machine learning (ML) to solve challenging problems in Earth system modeling. Science Challenge: Automatic differentiation has had a transformative effect on ML by allowing the calculation of gradients of arbitrary functions in an incredibly large class of models. We can potentially realize similar improvements in parameter estimation and control for Earth system models (ESMs) by reimplementing them in computational frameworks from ML. Practitioners working with large (>10 7 parameters) models in ML and AI can obtain good predictive performance in a range of spatiotemporal tasks by making use of optimization via stochastic gradient descent and incorporating prior knowledge at multiple levels. We propose writing ESMs in open-source computational frameworks such as Torch, Tensorflow, and JAX to greatly expand the scope of environmental forecasting and management challenges, which can be addressed by leveraging automatic differentiation and gradient descent-like algorithms. We do not call for a wholesale replacement of physical models with data-driven surrogates, but rather advocate for interleaving physical and empirical equations in a manner that is most faithful to the extent of our scientific knowledge and observational data. Central to this topic is the merging of differentiable physical simulations with differentiable optimization layers, which are now both beginning to come to the forefront.

54 ENVIRONMENTAL SCIENCES↗

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗

C{sub 2}N{sub 2} Vertical Profile in Titan’s Stratosphere

In this paper, we present the first measurements of the vertical distribution of cyanogen (C{sub 2}N{sub 2}) in Titan’s lower atmosphere at different latitudes and seasons, using Cassini’s Composite Infrared Spectrometer far-infrared data. We also study the vertical distribution of three other minor species detected in our data: methylacetylene (C{sub 3}H{sub 4}), diacetylene (C{sub 4}H{sub 2}), and H{sub 2}O, in order to compare them to C{sub 2}N{sub 2}, but also to get an overview of their seasonal and meridional variations in Titan’s lower stratosphere from 85 km to 225 km. We measured an average volume mixing ratio of C{sub 2}N{sub 2} of 6.2±0.8×10{sup −11} at 125 km at the equator, but poles exhibit a strong enrichment in C{sub 2}N{sub 2} (up to a factor 100 compared to the equator), greater than what was measured for C{sub 3}H{sub 4} or C{sub 4}H{sub 2}. Measuring C{sub 2}N{sub 2} profiles provides constraints on the processes controlling its distribution, such as bombardment by Galactic Cosmic Rays which seem to have a smaller influence on C{sub 2}N{sub 2} than predicted by photochemical models.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Low Risk of Subsynchronous Resonance (SSR) in Type III Wind Turbines Operating in Grid-Forming Control

We have shown in a previous work that the risk of sub-synchronous resonance (SSR) between a wind power plant with Type III wind turbines and series-compensated transmission lines is low when the wind turbines in the plant are operated in grid-forming mode, instead of the standard grid-following mode. The fundamental mechanism behind the improved damping characteristics is explained in this paper by modeling the positive and negative sequence impedances of Type III wind turbines for GFM operation mode. It is discovered that the GFM control naturally acts against the negative resistance of Type III wind turbines that results from an interaction between the proportional gain of the rotor-side converter current controller and negative slip. The developed sequence impedance models and improved damping behavior are verified using PSCAD simulations of a 2.5-MW Type III GFM wind turbine. The modeling predictions are also supported by experimentally measuring the sequence impedance response of a 2.5-MW Type III wind turbine during operation in GFL and GFM modes.

grid-following turbine↗

Simulation and Experimental Validation of an Integrated Heat Pump – Thermal Energy Storage Using a Room-Temperature Phase Change Material

As the dependence on electrical heat pumps (HPs) and intermittent renewables increases, grid strains are expected to grow. This necessitates an energy storage system to reduce the mismatch between energy supply and demand. Thus, a proposed dual-mode commercially available 14.1 kW HP was integrated with a single 22°C phase change material (PCM) thermal storage system (TES) to load-shift both cooling and heating loads. The HP-TES system was manufactured and experimentally tested using a novel test matrix based on AHRI 210/240 psychrometric conditions. Furthermore, transient dual-mode system-level HP-TES models were developed in Modelica and validated using the experimental test conditions. Base HP cooling and heating experimental tests at ambient temperatures of 35°C and −8.3°C show that the modified HP-TES maintained the rated system capacity and performance. The HP-TES discharge provided approximately 30% and 50% reductions in cooling and heating demand, respectively. The transient HP-TES models predicted system capacity and total power input for discharge and recharge operating modes within ±4% mean percentage error, and recharge power input within ±2%, with maximum errors occurring at the equipment startup. During system operation, the sources of model deviations are first-order polynomial fits of the PCM digital scanning calorimetry (DSC) data and unaccounted supercooling in the PCM during solidification. Nonetheless, the model predictions agree with the experimental tests, demonstrating the availability of robust, accurate, and validated transient models that can be used for further validation and the development of system controls.

25 ENERGY STORAGE↗

When and Where Lithium Plating Occurs, Its Correlation with Microstructure Heterogeneity, and the Mechanisms That Initiate and Self-Regulate Electrochemical Heterogeneity (A02-0444)

A microstructure scale electrochemical LIB model was used to investigate lithium plating onset, material non-uniform utilization, and in-plane heterogeneities for an NMC-graphite full cell. Model predicts active material particle surface roughness and size distribution (respectively, non-uniform curvature within and between particles) initiate in-plane heterogeneity, and that particle size heterogeneity at the separator interface controls the lithium plating preferential deposition ("Where"). These in-plane heterogeneities are then exacerbated by through-plane heterogeneities induced at fast charge as electrolyte depletion occurs and concentrates intercalation reaction near the anode-separator interface. Also, magnitude and occurrence of lithium plating is controlled by effective, or macroscale, microstructure parameters ("When"). As local states of charge start to diverge between nearby active material regions, overpotential differences induced by OCP difference kick in and contribute to reduce these SOC local heterogeneities. However, for staged materials such as graphite, with OCP profile alternating between plateaus and varying regions, this balancing mechanism is, respectively, inactive and active. This leads to a dynamic, non-monotonic, in-plane heterogeneity time evolution for state of charge and Faraday current density, for which their respective in-plane heterogeneity magnitude alternates. Such behavior has been modeled both for the whole electrode at the microstructure scale and at the particle scale. In-plane heterogeneities are usually considered to be detrimental, as they result in material non-uniform utilization (i.e., under and over stressed regions) and earlier degradations. However, this work provides a more granular approach as it discriminates between a harmful in-plane heterogeneity (non-uniform curvature) that triggers SOC in-plane heterogeneity, and a beneficial in-plane heterogeneity (Faraday current density) that contributes to reduce SOC in-plane heterogeneity. This work comprehensively explains the mechanisms that initiate, exacerbate, and regulate heterogeneity at the microstructure scale, while providing some design suggestions to reduce both in-plane and through-plane heterogeneities, as summarized in the graphical abstract.

ADVANCED PROPULSION SYSTEMS↗

Support Vector Machines for Classification of Direct Energy Deposition Standoff Distance for Improved Process Control

A critical factor in the implementation of direct energy deposition is the ability to maintain the standoff distance between the nozzle and the build surface, as this influences powder capture efficiency and overall part quality. Due to process-related variations, layer height may vary, causing unintended variation in standoff distance and poor build quality. While prior work has utilized contact probing to qualify standoff distance during processing, in situ methods for qualification of standoff distance are of major interest. The present work seeks to understand efficacy of image-based methods for classifying standoff distance variation in real-time using support vector machines (SVMs). It was hypothesized that the size of the melt pool and the amount of spatter will have significant correlations with deviations in the standoff distance; thus, SVMs were used on a dataset that is comprised of morphological features of melt pool size and image entropy. The SVM model was used to classify melt pool images into categories according to standoff distance variation from nominal. K-folds cross validation was used to find the optimal hyperparameters for the SVM model. To understand the impact of the selected features on the classification performance and inference speed, multiple models were trained with differing numbers of included features. Results for classification score, inference time, and image preprocessing/feature extraction from these data are reported. The present results show that the SVM model was able to predict the standoff distance classification with an accuracy of 97 percent and a speed of 0.122 s per image, making it a viable solution for real-time control of standoff distance.

Klesmith, Zoe↗

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

Controlling superconductivity of CeIrIn 5 microstructures by substrate selection

Superconductor/metal interfaces are usually fabricated in heterostructures that join these dissimilar materials. A conceptually different approach has recently exploited the strain sensitivity of heavy-fermion superconductors, selectively transforming regions of the crystal into the metallic state by strain gradients. The strain is generated by differential thermal contraction between the sample and the substrate. Here, we present an improved finite-element model that reliably predicts the superconducting transition temperature in CeIrIn 5 even in complex structures. Different substrates are employed to tailor the strain field into the desired shapes. Using this approach, both highly complex and strained as well as strain-free microstructures are fabricated to validate the model. This enables a high degree of control over the microscopic strain fields and forms the basis for more advanced structuring of superconductors as in Josephson junctions yet also finds natural use cases in any material class in which a modulation of the physical properties on a chip is desirable.

36 MATERIALS SCIENCE↗

Novel method to control explosive shock sensitivity: A mesoscale study to understand the effect of thermally expandable microsphere (TEM) inclusions in high explosives (HE) microstructure

When the void content and/or void structure of a high explosive (HE) is altered by some means (i.e., bulk heating or mechanical damage), the shock initiation behavior of the material changes. The ability to precisely predict the change in shock sensitivity after an HE has undergone microstructural changes is a crucial capability in multi-scale reactive flow models. Here, we utilize thermally expandable microspheres (TEMs) as a dopant in a polymer bonded explosive (PBX) matrix to alter the shock initiation properties in a controlled fashion. Here, using a mesoscale modeling approach, we evaluated how a single TEM (before and after thermal expansion) behaves under shock compression, as well as how the matrix PBX in the direct vicinity of the TEM is affected. We first examined the effect of an unexpanded TEM in the explosive matrix and found that its presence does not significantly perturb the bulk flow and by extension will not affect bulk sensitivity. Next, we examined the effect of an expanded TEM and found that its presence significantly perturbs the flow via hydrodynamic jetting, which causes a secondary shock wave with a strength that exceeds that of the incident wave. Finally, we showed that this secondary shock interacts with the downstream porosity to ignite a larger fraction of the overall pore volume, commensurate with the secondary shock strength and the affected volume, increasing the global (bulk) shock sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural drivers controlling sulfur solubility in alkali aluminoborosilicate glasses

Abstract If the direct feed approach to vitrify the Hanford's tank waste is implemented, the low activity waste (LAW) will comprise higher concentrations of alkali/alkaline‐earth sulfates than expected under the previously proposed vitrification scheme. To ensure a minimal impact of higher sulfate concentrations on the downstream operations and overall cost of vitrification, advanced glass formulations with enhanced sulfate loadings (solubility) are needed. While, the current sulfate solubility predictive models have been successful in designing LAW glasses with sulfate loadings <2 wt.%, it will be difficult for them to design glass compositions with enhanced loadings due to our limited understanding of the fundamental science governing these processes. In this pursuit, this article unearths the underlying compositional and structural drivers controlling the sulfate solubility in model LAW glasses. It has been shown that the preferentially removes non‐framework cations from the modifier sites in the silicate network, thus, leading to the polymerization in the glass network via the formation of ring‐structured borosilicate units. Furthermore, though the sulfate solubility slightly decreases with increasing Li + /Na + in the glasses, the prefers to be charge compensated by Na + , as it is easier for to break Na–O bonds instead of Li–O bonds.

Xu, Xinyi↗

Integration of a grey-box refrigerated case model in EnergyPlus via Python plugin

Commercial buildings, in particular grocery stores (due mainly to their large refrigeration load), provide opportunities for energy cost reductions. Grocery stores could offer substantial load flexibility to the power grid through participation in demand response programs because of their usage patterns and relatively high energy intensity. This load flexibility could come from modifying the control of heating, ventilation, and air conditioning (HVAC) systems, refrigeration systems, or both. Although estimation of the HVAC system’s load flexibility potential is relatively targeted in the literature, estimating load flexibility of refrigeration systems is nascent and has been a challenge, in part because of the lack of proper simulation tools that capture the dynamics in the refrigeration cases. The existing refrigerated case model within EnergyPlus, a whole building energy simulation program, assumes a constant case temperature throughout the simulation period and does not explicitly model the cycling of the compressor serving the refrigerated case. In addition, it does not encompass modeling of temperatures of the product inside the refrigerated case. This difference between modeled and actual operation can be a barrier to the development of demand control algorithm and accurate analysis of load flexibility potential. In this paper, we present a grey-box model for modeling refrigerated cases in grocery stores, which include medium temperature and low temperature. Four cases are modeled; two are low-temperature closed cases and two are medium-temperature cases with one closed and one open. Data from an experimental facility are used to train and test the models. Results demonstrate the efficacy of the grey-box models in predicting the temperatures. This model is integrated into EnergyPlus to capture the dynamic effects of case temperature on the environment and enhance the calculation of sensible and latent heat exchange with the environment (case credits). These enhancements can be leveraged more broadly to model advanced refrigeration controls such as defrost, develop and test unique algorithms that could affect refrigeration interactions with HVAC, and refine store design for any commercial building with refrigeration.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Experimental and theoretical investigations of rotating algae biofilm reactors (RABRs): Areal productivity, nutrient recovery, and energy efficiency

Microalgae biofilms have been demonstrated to recover nutrients from wastewater and serve as biomass feedstock for bioproducts. However, there is a need to develop a platform to quantitatively describe microalgae biofilm production, which can provide guidance and insights for improving biomass areal productivity and nutrient uptake efficiency. Here, this paper proposes a unified experimental and theoretical framework to investigate algae biofilm growth on a rotating algae biofilm reactor (RABR). Experimental laboratory setups are used to conduct controlled experiments on testing environmental and operational factors for RABRs. We propose a differential–integral equation‐based mathematical model for microalgae biofilm cultivation guided by laboratory experimental findings. The predictive mathematical model development is coordinated with laboratory experiments of biofilm areal productivity associated with ammonia and inorganic phosphorus uptake by RABRs. The unified experimental and theoretical tool is used to investigate the effects of RABR rotating velocity, duty cycle (DC), and light intensity on algae biofilm growth, areal productivity, nutrient uptake efficiency, and energy efficiency in wastewater treatment. Our framework indicates that maintaining a reasonable light intensity range improves biomass areal productivity and nutrient uptake efficiency. Our framework also indicates that faster RABR rotation benefits biomass areal productivity. However, maximizing the nutrient uptake efficiency requires a reasonably low RABR rotating speed. Energy efficiency is strongly correlated with RABR rotating speed and DC.

09 BIOMASS FUELS↗