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At least 1,279 records · Page 71

Time-Temperature-Stress Superposition of PBX 9502 Compressive Creep Data for Lifetime Predictions

The plastic-bonded explosive (PBX) 9502 is a viscoelastic, high-solids loaded polymer bound composite comprised of 95 weight% (wt%) TATB explosive crystals and 5 wt% FK-800 polymer binder. The uniaxial quasi-static mechanical properties have been studied and characterized extensively over 25+ years, including creep. Creep is the strain evolution over time as a result of an asymmetric load typically at temperatures above ambient. Creep measurements to failure can take excessively long periods of time depending on various factors including applied stress, temperature, and loading rate that render a single test to failure impossible. Using the principles of time-temperature-stress superposition (TTSSP), short-term creep tests at various applied stresses and temperatures can be used for long-term creep predictions. The TTSSP model shifts short-term test data using two factors, one for temperature and stress, creating a master curve at a reference test condition. The master curve can be shifted to predict the creep response at any desired test condition. PBX 9502 compression specimens were tested at three temperatures and various applied stresses. This work discusses the TTSSP analysis of PBX 9502 compressive creep data to create a single comprehensive master curve.

36 MATERIALS SCIENCE↗

Exploration of the Electronic and Catalytic Properties of [Co 5 MS 8 (PEt 3 ) 5 ] 1+ Nanoclusters: A Computational Study

Recent studies have demonstrated the relative stability of undercoordinated hexanuclear cobalt sulfide nanoclusters (NCs) with different charge states. Considering that these small metal NCs have atomically precise structures and high reactivity due to the open shell of the transition metals, and provide selectivity toward ligand loss, they are a vital model for catalysis. In this paper, the electronic structures of these NCs are investigated. These NCs are then used as the reference state to analyze the catalytic properties with respect to hydrogen evolution reaction (HER) and CO 2 reduction (CO 2 R). Further, to understand the effect of heteroatom incorporation, the geometry and reactivity of ten different metal dopants are analyzed. This work shows that the type of metal incorporation greatly affects the electronic structure and formation energies for ligand binding and catalysis. Particularly, the d-orbital occupancy in the cobalt atoms remains largely unchanged, while the heteroatom greatly influences the reactivity of the undercoordinated NCs. Most notably, this work highlights that transition metals in [Co 5 MS 8 (PEt 3 ) 5 ] 1+ NCs would competitively prefer electrochemical adsorption of H over COOH, while the main group metals prefer COOH adsorption.

catalysis↗

DEM Modeling and Validation of Pebble Bed Packing Using Chrono::GPU

Accurate prediction of pebble packing structure is important for pebble bed reactors because the spatial distribution of void fraction directly affects coolant flow, pressure drop, heat transfer, and neutronic behavior. However, experimentally validated DEM studies that directly evaluate local void-fraction structure in reactor-relevant pebble beds remain limited. In this work, the pebble bed experiment conducted at Missouri University of Science and Technology is simulated using the graphics processing unit (GPU)-based discrete element method (DEM) code Chrono::GPU. The study focuses on evaluating the ability of Chrono::GPU to reproduce the packing arrangement and void-fraction distribution of a randomly packed spherical pebble bed. The DEM results are first verified against established radial void-fraction correlations, including the Mueller and Vortmeyer-Schuster models, to assess the predicted bulk porosity, near-wall behavior, and oscillatory packing structure. The simulation is then verified against reference DEM data and validated against gamma-ray computed tomography (CT) experimental data at three axial locations. The Chrono::GPU results reproduce the main features of the experimental packing, including the high void fraction near the wall, the first near-wall trough, and the damped oscillatory radial profile caused by wall-induced ordering. Quantitative comparison with DEM data and the CT-based radial profiles shows good agreement, with mean absolute errors on the order of 0.07 and root-mean-square errors below 0.09 for the averaged profiles. These results demonstrate that Chrono::GPU can accurately capture the void-fraction structure of spherical pebble beds and provides a reliable DEM framework for future pebble bed reactor packing, recycling, and thermal-hydraulic studies.

97 - MATHEMATICS AND COMPUTING↗

EVALUATION OF HOT CHANNEL FACTOR FOR SODIUM-COOLED FAST REACTORS WITH MULTI-PHYSICS TOOLKIT

The evaluation of hot channel factor (HCF) is of great significance to the quantification of safety margins for reactor designs. In this paper, HCFs for a sodium-cooled fast reactor (SFR) are evaluated with the Simulation-based High-efficiency Advanced Reactor Prototyping (SHARP) toolkit, which is developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign of DOE for multi-physics reactor performance and safety simulations. The high-fidelity neutronics and thermal hydraulics solvers PROTEUS and Nek5000 in the SHARP toolkit are coupled to perform the multi-physics simulations for HCF evaluation. The HCFs induced by cladding manufacturing tolerance, fissile content mal-distribution, wire orientation and uncertainties on the cladding, coolant, and fuel properties are evaluated for a reference core SFR design (AFR-100). The HCFs calculated with the SHARP toolkit are compared to legacy HCFs for similar reactor types. The comparison demonstrates the reduction or elimination of modeling uncertainties in the calculation of HCFs using high fidelity advanced modeling and simulation tools without the need of expensive experiments. Moreover, the reduction of the uncertainties on HCFs evaluation allows an increase in nominal parameters and safety margin, which in turn improves the economic competitiveness of the SFR.

Hot channel factor (HCF)↗

Where’s Swimmy?: Mining unique color features buried in galaxies by deep anomaly detection using Subaru Hyper Suprime-Cam data

Abstract We present the Swimmy (Subaru WIde-field Machine-learning anoMalY) survey program, a deep-learning-based search for unique sources using multicolored (grizy) imaging data from the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP). This program aims to detect unexpected, novel, and rare populations and phenomena, by utilizing the deep imaging data acquired from the wide-field coverage of the HSC-SSP. This article, as the first paper in the Swimmy series, describes an anomaly detection technique to select unique populations as “outliers” from the data-set. The model was tested with known extreme emission-line galaxies (XELGs) and quasars, which consequently confirmed that the proposed method successfully selected $\sim\!\! 60\%$–$70\%$ of the quasars and $60\%$ of the XELGs without labeled training data. In reference to the spectral information of local galaxies at z = 0.05–0.2 obtained from the Sloan Digital Sky Survey, we investigated the physical properties of the selected anomalies and compared them based on the significance of their outlier values. The results revealed that XELGs constitute notable fractions of the most anomalous galaxies, and certain galaxies manifest unique morphological features. In summary, deep anomaly detection is an effective tool that can search rare objects, and, ultimately, unknown unknowns with large data-sets. Further development of the proposed model and selection process can promote the practical applications required to achieve specific scientific goals.

Astronomy & Astrophysics↗

Bayesian reduced-order deep learning surrogate model for dynamic systems described by partial differential equations

We propose a reduced-order deep-learning surrogate model for dynamic systems described by time-dependent partial differential equations. This method employs space–time Karhunen–Loève expansions (KLEs) of the state variables and space-dependent KLEs of space-varying parameters to identify the reduced (latent) dimensions. Subsequently, a deep neural network (DNN) is used to map the parameter latent space to the state variable latent space. An approximate Bayesian method is developed for uncertainty quantification (UQ) in the proposed KL-DNN surrogate model. The KL-DNN method is tested for the linear advection–diffusion and nonlinear diffusion equations, and the Bayesian approach for UQ is compared with the deep ensembling (DE) approach, commonly used for quantifying uncertainty in DNN models. It was found that the approximate Bayesian method provides a more informative distribution of the PDE solutions in terms of the coverage of the reference PDE solutions (the percentage of nodes where the reference solution is within the confidence interval predicted by the UQ methods) and log predictive probability. The DE method is found to underestimate uncertainty and introduce bias. For the nonlinear diffusion equation, we compare the KL-DNN method with the Fourier Neural Operator (FNO) method and find that KL-DNN is 10% more accurate and needs less training time than the FNO method.

97 MATHEMATICS AND COMPUTING↗

The High Latitude Spectroscopic Survey on the Nancy Grace Roman Space Telescope

The Nancy Grace Roman Space Telescope will conduct a High Latitude Spectroscopic Survey (HLSS) over a large volume at high redshift, using the near-IR grism (1.0–1.93 μm, R = 435–865) and the 0.28 deg 2 wide-field camera. We present a reference HLSS that maps 2000 deg 2 and achieves an emission-line flux limit of 10 -16 erg s -1 cm -2 at 6.5σ, requiring ~0.6 yr of observing time. We summarize the flowdown of the Roman science objectives to the science and technical requirements of the HLSS. We construct a mock redshift survey over the full HLSS volume by applying a semianalytic galaxy formation model to a cosmological N-body simulation and use this mock survey to create pixel-level simulations of 4 deg 2 of HLSS grism spectroscopy. We find that the reference HLSS would measure ~10 million H α galaxy redshifts that densely map large-scale structure at z = 1–2 and 2 million [O III] galaxy redshifts that sparsely map structures at z = 2–3. We forecast the performance of this survey for measurements of the cosmic expansion history with baryon acoustic oscillations and the growth of large-scale structure with redshift-space distortions. We also study possible deviations from the reference design and find that a deep HLSS at f line > 7 × 10 -17 erg s -1 cm -2 over 4000 deg 2 (requiring ~1.5 yr of observing time) provides the most compelling stand-alone constraints on dark energy from Roman alone. This provides a useful reference for future optimizations. The reference survey, simulated data sets, and forecasts presented here will inform community decisions on the final scope and design of the Roman HLSS.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulating Real Atmospheric Boundary Layers at Gray-Zone Resolutions: How Do Currently Available Turbulence Parameterizations Perform?

Recent computational and modeling advances have led a diverse modeling community to experiment with atmospheric boundary layer (ABL) simulations at subkilometer horizontal scales. Accurately parameterizing turbulence at these scales is a complex problem. The modeling solutions proposed to date are still in the development phase and remain largely unvalidated. This work assesses the performance of methods currently available in the Weather Research and Forecasting (WRF) model to represent ABL turbulence at a gray-zone grid spacing of 333 m. We consider three one-dimensional boundary layer parameterizations (MYNN, YSU and Shin-Hong) and coarse large-eddy simulations (LES). The reference dataset consists of five real-case simulations performed with WRF-LES nested down to 25 m. Results reveal that users should refrain from coarse LES and favor the scale-aware, Shin-Hong parameterization over traditional one-dimensional schemes. Overall, the spread in model performance is large for the cellular convection regime corresponding to the majority of our cases, with coarse LES overestimating turbulent energy across scales and YSU underestimating it and failing to reproduce its horizontal structure. Despite yielding the best results, the Shin-Hong scheme overestimates the effect of grid dependence on turbulent transport, highlighting the outstanding need for improved solutions to seamlessly parameterize turbulence across scales.

54 ENVIRONMENTAL SCIENCES↗

Opportunities and Challenges of Computational Electromagnetics Methods for Superconducting Circuit Quantum Device Modeling: A Practical Review

High-fidelity numerical methods that model the physical layout of a device are essential for the design of many technologies. For methods that characterize electromagnetic effects, these numerical methods are referred to as computational electromagnetics (CEM) methods. Although the CEM research field is mature, emerging applications can still stress the capabilities of the techniques in use today. The design of superconducting circuit quantum devices falls in this category due to the unconventional material properties and important features of the devices covering nanometer to centimeter scales. Such multiscale devices can stress the fundamental properties of CEM tools which can lead to an increase in simulation times, a loss in accuracy, or even cause no solution to be reliably found. While these challenges are being investigated by CEM researchers, knowledge about them is limited in the broader community of users of these CEM tools. This review is meant to serve as a practical introduction to the fundamental aspects of the major CEM techniques that a researcher may need to choose between to model a device, as well as provide insight into what steps they may take to alleviate some of their challenges. Our focus is on highlighting the main concepts without rigorously deriving all the details, which can be found in many textbooks and articles. After covering the fundamentals, we discuss more advanced topics related to the challenges of modeling multiscale devices with specific examples from superconducting circuit quantum devices. We conclude with a discussion on future research directions that will be valuable for improving the ability to successfully design increasingly more sophisticated superconducting circuit quantum devices. Although our focus and examples are taken from this area, researchers from other fields will still benefit from the details discussed here.

Elkin, Samuel T. [Virginia Tech., Blacksburg]↗

MASK4 Test Campaign for Sandia WaveBot Device

This data and report details the findings from a wave tank test focused on production of useful work of a wave energy converter (WEC) device. The experimental system and test were specifically designed to validate models for power transmission throughout the WEC system. Additionally, the validity of co-design informed changes to the power take-off (PTO) were assessed and shown to provide the expected improvements in system performance. These data describe the "MASK4" wave tank test of the Sandia WaveBot device. The WaveBot device has been tested a number of times in different permutations at the US Navy's Maneuvering and Sea Keeping (MASK) basin. Each test in this series is referred to as MASK1, MASK2, etc. The WaveBot device was first tested in one degree of freedom (heave) in 2016. This MASK1 test focused primarily on system identification and modeling. After MASK1, major modifications were performed to improve the overall real-time control and measurement system, improve the heave drive train, and add surge and pitch degrees of freedom. The second set of testing, which was broken up in to two stages: MASK2A and MASK2B, focused on bench testing and closed-loop control performance as well as nonlinear modeling. MASK3 then focused on multi-input, multi-output modeling and control for maximization of electrical power. The attached report presents the results from MASK4, which focuses on detailed modeling of the power conversion chain and validation co-design principles by way of the introduction of a magnetic spring. The test log, report, and data from the MASK4 test of the WaveBot augmented with a tunable magnetic spring. Processing codes can be found at the Github link below.

16 TIDAL AND WAVE POWER↗

Scalability analysis of heavy-duty gas turbines using data-driven machine learning

With the increasing integration of variable renewable energy sources into power systems, the role of flexible power generation technologies like gas turbines (GT) in rapid grid balancing remains crucial. This sustained importance underscores the need for scaled and precise modeling of GT to ensure effective integration within evolving energy frameworks. While physics-driven GT models integrate thermodynamics, fluid dynamics, and combustion principles, they often rely on approximate mathematical representations to accommodate scaling that may not capture the actual complex dynamics for GTs and inertial effects associated to GTs with different ratings. In this study, a data-driven model is proposed using machine learning (ML) techniques to conduct GT scalability analysis and performance evaluation with high accuracy. The ML model, trained on data from various operating conditions and performance parameters, aims to uncover intricate relationships and patterns, resembling GT characteristics at different scales (ratings). The model is developed to capture complex system interaction and to adapt to changing operational scenarios at different capacities, providing valuable insights of power system dynamics. In this study, the real-time digital simulator platform was employed to generate training data for the ML model and assess its dynamic characteristics. The ultimate objective was to develop a detailed modeling framework based on governing equations and data-driven ML capable of predicting key performance indicators, in thermal systems such as GTs, including power output, speed, fuel consumption, and exhaust temperature under diverse operating conditions at different scales. The developed ML framework demonstrated high accuracy, with mean relative errors for GT power prediction, reference speed, exhaust temperature, and compressor pressure ratio (CPR) parameters consistently below 0.1% across typical load fluctuation scenarios. Maximum deviations were limited to approximately 0.5 K for exhaust temperature and 0.009 for CPR, underscoring the model’s ability to replicating dynamic GT behavior with high precision. The adaptability of the ML model enables its application across diverse operational conditions and its extension to other thermal systems. By leveraging advanced ML techniques, this study presents a robust and scalable modeling framework that enhances GT simulation precision, facilitating improved integration into evolving power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Inferring microbial interactions with their environment from genomic and metagenomic data

Microbial communities assemble through a complex set of interactions between microbes and their environment, and the resulting metabolic impact on the host ecosystem can be profound. Microbial activity is known to impact human health, plant growth, water quality, and soil carbon storage which has lead to the development of many approaches and products meant to manipulate the microbiome. In order to understand, predict, and improve microbial community engineering, genome-scale modeling techniques have been developed to translate genomic data into inferred microbial dynamics. However, these techniques rely heavily on simulation to draw conclusions which may vary with unknown parameters or initial conditions, rather than more robust qualitative analysis. To better understand microbial community dynamics using genome-scale modeling, we provide a tool to investigate the network of interactions between microbes and environmental metabolites over time. Using our previously developed algorithm for simulating microbial communities from genome-scale metabolic models (GSMs), we infer the set of microbe-metabolite interactions within a microbial community in a particular environment. Because these interactions depend on the available environmental metabolites, we refer to the networks that we infer as metabolically contextualized , and so name our tool MetConSIN: Met abolically Con textualized S pecies I nteraction N etworks.

59 BASIC BIOLOGICAL SCIENCES↗

Scenario development for safety assessment in deep geologic disposal of high-level radioactive waste and spent nuclear fuel: A review

Radiation and radioactive substances result in the production of radioactive wastes which require safe management and disposal to avoid risks to human health and the environment. To ensure permanent safe disposal, the performance of a deep geological repository for radioactive waste is assessed against internationally agreed risk-based standards. Assessing postclosure safety of the future system's evolution includes screening of features, events, and processes (FEPs) relevant to the situation, their subsequent development into scenarios, and finally the development and execution of safety assessment (SA) models. Global FEP catalogs describe important natural and man-made repository system features and identify events and processes that may affect these features into the future. By combining FEPs, many of which are uncertain, different possible future system evolution scenarios are derived. Repository licensing should consider both the reference or “base” evolution as well as alternative futures that may lead to radiation release, pollution, or exposures. Scenarios are used to derive and consider both base and alternative evolutions, often through production of scenario-specific SA models and the recombination of their results into an assessment of the risk of harm. Furthermore, while the FEP-based scenario development process outlined here has evolved somewhat since its development in the 1980s, the fundamental ideas remain unchanged. A spectrum of common approaches is given here (e.g., bottom–up vs. top–down scenario development, probabilistic vs. bounding handling of uncertainty), related to how individual numerical models for possible futures are converted into a determination as to whether the system is safe (i.e., how aleatoric uncertainty and scenarios are integrated through bounding or Monte Carlo approaches).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A reactive molecular dynamics model for uranium/hydrogen containing systems

Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly challenging due to the toxicity of uranium and the computationally expensive nature of quantum-based methods generally required to study such processes. In this regard, we have developed a Chebyshev Interaction Model for Efficient Simulation (ChIMES) that can be employed to compute energies and forces of U and UH3 bulk structures with vacancies and hydrogen interstitials with accuracy similar to that of Density Functional Theory (DFT) while yielding linear scaling and orders of magnitude improvement in computational efficiency. Here, we show that the bulk structural parameters, uranium and hydrogen vacancy formation energies, and diffusion barriers predicted by the ChIMES potential are in strong agreement with the reference DFT data. We then use ChIMES to conduct molecular dynamics simulations of the temperature-dependent diffusion of a hydrogen interstitial and determine the corresponding diffusion activation energy. Our model has particular significance in studies of actinides and other high-Z materials, where there is a strong need for computationally efficient methods to bridge length and time scales between experiments and quantum theory.

36 MATERIALS SCIENCE↗

Causes of and Solutions to Wind Speed Bias in NREL's 2020 Offshore Wind Resource Assessment for the California Pacific Outer Continental Shelf

This report provides the results of a detailed analysis into the causes of high wind speed bias in the 20-year wind resource data set for offshore California the National Renewable Energy Laboratory (NREL) released in 2020, herein called CA20. The data set was developed using the state-of-the-art Weather Research and Forecasting (WRF) model. Notably, no floating lidars were available at the time in offshore California to validate offshore hub-height wind speeds. In late 2020, the Pacific Northwest National Laboratory (PNNL) deployed two floating lidars in the California outer continental shelf (OCS), near the Bureau of Ocean Energy Management (BOEM) call areas of Humboldt and Morro Bay. Using these observations through 2021, NREL found considerable bias in modeled hub-height winds at both locations: up to +2 m/s at Humboldt over a 6-month period, and up to +1 m/s at Morro Bay over a one-year period. Upon the discovery of this bias, the Department of Energy (DOE) and BOEM funded NREL and PNNL to investigate the causes of, impacts of, and solutions to the bias in the CA20 data set. This report summarizes the findings of this research. We first investigated whether different WRF model setups could lead to reduced bias. We found that the choice of planetary boundary layer (PBL) scheme - which controls the vertical turbulent mixing of momentum, heat, and moisture in the lowermost part of the atmosphere - greatly affected hub-height wind speeds in the region. Specifically, switching from the Mellor-Yamada-Nakanishi-Niino (MYNN) scheme used in CA20 (and widely used across a range of operational and research weather models) to the less common Yonsei University (YSU) scheme nearly eliminated the bias at both the Humboldt and Morro Bay lidar locations. The large discrepancy between the MYNN- and YSU-modeled hub-height winds pointed towards the role of atmospheric stability. In general, PBL schemes agree well in conditions of high turbulence and mixing, normally referred to as "unstable" conditions. By contrast, PBL schemes start to diverge in "stable" conditions, where turbulence is low and thermal stratification (i.e., higher temperature air sitting on top of colder air) greatly suppresses vertical mixing. Under such conditions, winds aloft can decouple from surface effects and greatly accelerate, causing high wind speeds at hub-height and frequent low-level jets (LLJs). We determined that these stable conditions are in fact dominant in offshore California. The region is characterized by moderate-to-extreme stable stratification with a LLJ on average around 200 meters above sea-level. To our knowledge, no wind energy area globally has as strongly stable stratification as offshore California. Under these extreme conditions, we determined that the MYNN scheme models higher stability than YSU, resulting in less vertical turbulent mixing than YSU, allowing for the acceleration of hub-height winds, more intense LLJs, and higher-amplitude inertial oscillations. Using surface observations, we found that MYNN overestimates near-surface stability, whereas YSU tends to model stability better. We then considered several short-term case studies to assess additional meteorological drivers of the bias at Humboldt. We found that during synoptic scale northerly flows driven by the North Pacific High and inland thermal low, a coastal warm bias in the MYNN case studies contributes to the modeled wind speed bias by altering the boundary layer thermodynamics via a thermal wind mechanism. Given the strong performance of the YSU-based runs in offshore California, NREL has produced and published an updated version of the CA20 data set with YSU as the PBL scheme. This updated data set is now part of NREL's 2023 National Offshore Wind (NOW-23) data set, which covers all the U.S. offshore waters. The development and final validation of the NOW-23 data set in offshore California is documented in this report.

17 WIND ENERGY↗

A Generic Multivector Model Predictive Control With Symmetric Pulse Pattern for Hybrid Multilevel Converters

This article presents a generic multivector model predictive control (MV-MPC) method that has the potential to be applied to all hybrid multilevel converters (HMCs). It first locates the reference voltage vector in the 120° oblique coordinate to select the three adjacent voltage vectors to be applied over one control cycle. Then, the current tracking is guaranteed through duty cycle optimization and dc capacitor voltages are balanced by evaluating possible switching sequences that belong to the voltage vectors with optimal duty cycles. At last, the optimal switching sequence with a symmetric five- or seven-segment pulse pattern is generated using an external modulator. Here, the proposed generic MV-MPC can significantly improve the quality of the output current, while achieving a constant equivalent switching frequency at the same time. Experimental studies on an all silicon carbide HMC prototype, i.e., an active neutral point clamped converter with cascaded H-bridge, are presented to validate the effectiveness of the proposed MV-MPC strategy.

42 ENGINEERING↗

Symmetry-projected cluster mean-field theory applied to spin systems

We introduce S z spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is S z symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all S z sectors, breaking S z symmetry. In addition, a projection scheme is used to restore global S z , which gives rise to the S z spin-projected generalized cluster mean-field (S z GcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J 1 – J 2 and XXZ Heisenberg models. Furthermore, our results indicate that the new methods (GcMF and S z GcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗