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DOE OSTI2021

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis (V.6.16 User's Manual)

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.16 Theory Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota’s iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis: Version 6.12 User's Manual

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.13 User's Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user’s manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.15 User's Manual

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A Smart Silicon Carbide Power Module With Pulse Width Modulation Over Wi-Fi and Wireless Power Transfer-Enabled Gate Driver, Featuring Onboard State of Health Estimator and High-Voltage Scaling Capabilities: Preprint

A wide range of utility applications require controllable switches with features such as high-voltage (HV) blocking and high-current carrying capacity especially at high pulse width modulation (PWM) frequency. Low and medium voltage utility applications such as motor drives and flexible AC transmission systems (FACTS) as well as solid state transformers (SST) could also benefit from a low-cost HV switching module. Wide band gap (WBG) semiconductors such as SiC and GaN MOSFETs are considered to be the present and next generation device choices, although they have their own limitations. For relatively HV applications with demanding thermal management, SiC is still the only choice, and GaN dominates the low voltage regime. This manuscript proposes a new half bridge power MOSFET module that is suitable for conventional H-bridge of multilevel configurations used in HV applications. Constructed from bare SiC dies, this half bridge module takes advantage of (1) optimized MOSFET placement inside the module, (2) customized heat exchanger, manifold and cooling, (3) integrated gate driver module with PWM over wi-fi to eliminate the need for low voltage signals, (4) wireless power transfer (WPT) enabled gate driver and other ancillary circuits, (5) and the option to incorporate an onboard state of health (SOH) estimator module onboard. The entire architecture has been designed and built at National Renewable Energy Laboratory (NREL), Golden, CO.

baseplate design↗

DOE OSTI2020

Capacitor Voltage Ripple Estimation and Optimal Sizing of Modular Multi-Level Converters for Variable-Speed Drives

This article deals with the sizing of submodule capacitors for modular multilevel converters (MMCs) used for variable speed drives for medium voltage and high voltage electric machines. Variable speed drives are required to run over a wide frequency range from zero to a few hundred Hz or even over 1 kHz. Under low frequency operation (<30 Hz), a large current ripple flowing through the MMC submodule capacitors will cause significant capacitor voltage fluctuation. This article proposes an optimal submodule capacitor selection method based on the common-mode voltage injection. The proposed sizing model includes two functions: 1) accurately estimating the capacitor voltage ripple based on the drive system parameters; and 2) identifying the minimum capacitance of the submodule capacitors based on the allowed maximum capacitor voltage fluctuations. Simulation and experimental results show that the error between the actual and estimated values of the voltage fluctuation is within 3% using the proposed model.

42 ENGINEERING↗

DOE OSTI2023

A Smart Silicon Carbide Power Module With Pulse Width Modulation Over Wi-Fi and Wireless Power Transfer-Enabled Gate Driver, Featuring Onboard State of Health Estimator and High-Voltage Scaling Capabilities

A wide range of utility applications require controllable switches with features such as high-voltage blocking and high-current carrying capacity, especially at high pulse width modulation (PWM) frequency. Low- and medium-voltage utility applications such as motor drives and flexible AC transmission systems as well as solid state transformers could also benefit from a low-cost high-voltage switching module. Wide-bandgap semiconductors such as silicon carbide (SiC) and gallium nitride (GaN) metal oxide semiconductor field effect transistors (MOSFETs) are considered to be the present and next-generation device choices, although they have limitations. For relatively high-voltage applications with demanding thermal management, SiC is still the only choice, and GaN dominates the low-voltage regime. This manuscript proposes a new half-bridge power MOSFET module that is suitable for conventional H-bridge of multilevel configurations used in high-voltage applications. Constructed from bare SiC dies, this half-bridge module takes advantage of (1) optimized MOSFET placement inside the module, (2) customized heat exchanger, manifold, and cooling, (3) integrated gate driver module with pulse width modulation (PWM) over wi-fi to eliminate the need for low-voltage signals, (4) wireless power transfer (WPT)-enabled gate driver and other ancillary circuits, (5) and the option to incorporate an onboard state-of-health (SOH) estimator module. The entire architecture has been designed and built at the National Renewable Energy Laboratory (NREL) in Golden, CO.

Ga2O3 devices↗

DOE OSTI2022

Spatiotemporal Modeling of Real World Backsheets Field Survey Data: Hierarchical (Multilevel) Generalized Additive Models

Assessing photovoltaic module backsheet durability is critical to increasing module lifetime. Laboratory-based accelerating testing has recently failed to predict large scale failures of widely adopted polymeric materials. Additionally, there is a growing concern on characterizing the non-uniformity of field exposure. Therefore, data from field surveys are critical to assess the performance of component lifetimes. Using a documented field survey protocol, 19 field surveys were conducted. The focus of this survey strategy is to investigate spatial continuity in degradation modes. By combining field survey data with real-time satellite weather data, stressor / response models have been trained. Generalized additive Models (GAM) model was created to predict the value of degradation based on measured predictors. Two different GAM constructions were testing using different implementations of basis splines. The model includes variables on the environmental stressors of the system and the location of each measurement in the PV mounting structure. The incorporation of hierarchical structure into the models allowed for material specific degradation rates, while maintaining the assumption of a global trend. The model performed well with an adjusted R2 of 0.975 for yellowness index prediction.

backsheet↗

DOE OSTI2024

AMReX v2024

The software framework, AMReX, supports the development of block-structured adaptive mesh refinement (AMR) algorithms for solving systems of partial differential equations. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving the essential local descriptions of different physical processes in complex multiphysics algorithms. AMR uses a hierarchical representation of the solution at multiple levels of resolution where the solution on each level is defined on the union of data containers at that resolution. These data containers, which represent the solution over a logically rectangular subregion of the domain, can contain field data defined on a mesh, Lagrangian particles or combinations of both. In addition to these basic data types, AMReX supports a multilevel embedded boundary representation of complex geometry; linear solvers for cell-centered and nodal data; asynchronous I/O in a native format readable by ParaView, VisIt and yt; and interfaces to hypre and PETSc solvers. AMReX enables applications to run on distributed memory architectures with multicore CPUs and with GPU accelerators. AMReX uses a lightweight abstraction layer that effectively hides the details of the architecture from the application. The framework currently supports CUDA, HIP and SYCL for GPU acceleration and OpenMP for multi-core CPU architectures.

Almgren, Ann↗

DOE OSTI2022

FROSch Preconditioners for Land Ice Simulations of Greenland and Antarctica

Numerical simulations of Greenland and Antarctic ice sheets involve the solution of large-scale highly nonlinear systems of equations on complex shallow geometries. This work is concerned with the construction of Schwarz preconditioners for the solution of the associated tangent problems, which are challenging for solvers mainly because of the strong anisotropy of the meshes and wildly changing boundary conditions that can lead to poorly constrained problems on large portions of the domain. In this study, two-level generalized Dryja--Smith--Widlund (GDSW)--type Schwarz preconditioners are applied to different land ice problems, i.e., a velocity problem, a temperature problem, as well as the coupling of the former two problems. We employ the message passing interface (MPI)--parallel implementation of multilevel Schwarz preconditioners provided by the package FROSch (fast and robust Schwarz) from the Trilinos library. The strength of the proposed preconditioner is that it yields out-of-the-box scalable and robust preconditioners for the single physics problems. To the best of our knowledge, this is the first time two-level Schwarz preconditioners have been applied to the ice sheet problem and a scalable preconditioner has been used for the coupled problem. The preconditioner for the coupled problem differs from previous monolithic GDSW preconditioners in the sense that decoupled extension operators are used to compute the values in the interior of the subdomains. Additionally, several approaches for improving the performance, such as reuse strategies and shared memory OpenMP parallelization, are explored. In our numerical study we target both uniform meshes of varying resolution for the Antarctic ice sheet as well as nonuniform meshes for the Greenland ice sheet. We present several weak and strong scaling studies confirming the robustness of the approach and the parallel scalability of the FROSch implementation. Among the highlights of the numerical results are a weak scaling study for up to 32,K processor cores (8,K MPI ranks and 4 OpenMP threads) and 566,M degrees of freedom for the velocity problem as well as a strong scaling study for up to 4,K processor cores (and MPI ranks) and 68,M degrees of freedom for the coupled problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI1992

Nuclear Safety [Vol. 33, No. 4, October-December 1992]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 499 Technical Note: Nuclear Regulatory Commission’s Examination Question Bank System, C. L Jensen and N. L. Skinner; 506 Report on the Specialists’ Meeting on Passive and Active Safety Features of Liquid-Metal Fast Breeder Reactors Organized by the International Atomic Energy Agency at Oarai Engineering Centre of Power Reactor and Nuclear Development Corporation, Japan, November 5-7,1991, S. R. Paranjpe; ACCIDENT ANALYSIS: 514 A Review of Hydrogen Production During Melt/Water Interaction in LWRs, D. F. Fletcher, B. D. Turland, and S. P. A. Lawrence; 535 A Review of the U 3 0 8 -Al Reaction as a Potential Heat Source in Research and Test Reactor Accidents, J. L. Snelgrove; CONTROL AND INSTRUMENTATION: 543 Multilevel Interfaces for Power Plant Control Rooms II: A Preliminary Design Space, K. J. Vicente; DESIGN FEATURES: 549 Twenty-Second DOE/NRC Nuclear Air Cleaning and Treatment Conference, R. R. Bellamy, D. W. Moeller, and M. W. First; 562 Book Review: Safety Assessment of Unit 5 (WWER-440/W-213) of the Greifswald Nuclear Power Station, M. H. Fontana; WASTE AND SPENT FUEL MANAGEMENT: 576 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver; OPERATING EXPERIENCES: 586 Analysis of Corrective Actions Applied to Nuclear Power Plant Operations, A. E. Cross; 593 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 596 Operating U.S. Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver; 609 Non-Commercial Power Operating Experience; 614 World Nuclear Performance, Compiled by M. D. Muhlheim; RECENT DEVELOPMENTS: 623 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 635 Reports, Standards, and Safety Guides, D. S. Queener; 639 Proposed Rule Changes as of June 30, 1992; ANNOUNCEMENTS: 513 Fourth International Conference on Nuclear Fuel Reprocessing and Waste Management RECOD '94; 585 International Topical Meeting on Advanced Reactors Safety; 622 International Workshop on Implementation of ALARA at Nuclear Power Plants; 648 Short Course on Nuclear Criticality Safety; 648 8th Topical Meeting on Problems in Reactor Physics MEPhi-VOLGA-93; 643 The Authors; 646 Reviewers of Nuclear Safety, Vol. 33

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Spatiotemporal Modeling of Real World Backsheets Field Survey Data: Hierarchical (Multilevel) Generalized Additive Models: Preprint

Assessing photovoltaic module backsheet durability is critical to increasing module lifetime. Lab based accelerating testing has recently failed to predict large scale failures of widely adopted polymeric materials. Field surveyed data is critical to assess the performance of component lifetime. Using a documented field survey protocol, 13 field surveys where conducted. Each measurement is encoded with it's spatial location in respect to the other modules. By combining field survey data on degradation predictors with real time satellite weather data, data-driven predictive models of backsheet degradation were trained. LOESS models were constructed to investigate the spatial dependence of measurements. It was found that micro-climatic effects like treelines, ground surface changes, and elevation changes effected the magnitude and variance of the measurements. A GAM model was created to predict the value of degradation based on measured predictors. The model includes variables on the climate of the system and the location of each measurement in the PV mounting structure. The model performed well with an adj:R2 of 0:95 for yellowness index prediction. The model was cross-validated using k-folds.

backsheet↗

DOE OSTI2023

Indefinite and bidirectional near-infrared nanocrystal photoswitching

Materials whose luminescence can be switched by optical stimulation drive technologies ranging from superresolution imaging, nanophotonics, and optical data storage, to targeted pharmacology, optogenetics, and chemical reactivity. Furthermore, these photoswitchable probes, including organic fluorophores and proteins, can be prone to photodegradation and often operate in the ultraviolet or visible spectral regions. Colloidal inorganic nanoparticles can offer improved stability, but the ability to switch emission bidirectionally, particularly with near-infrared (NIR) light, has not, to our knowledge, been reported in such systems. Here, we present two-way, NIR photoswitching of avalanching nanoparticles (ANPs), showing full optical control of upconverted emission using phototriggers in the NIR-I and NIR-II spectral regions useful for subsurface imaging. Employing single-step photodarkening and photobrightening, we demonstrate indefinite photoswitching of individual nanoparticles (more than 1,000 cycles over 7 h) in ambient or aqueous conditions without measurable photodegradation. Critical steps of the photoswitching mechanism are elucidated by modelling and by measuring the photon avalanche properties of single ANPs in both bright and dark states. Unlimited, reversible photoswitching of ANPs enables indefinitely rewritable two-dimensional and three-dimensional multilevel optical patterning of ANPs, as well as optical nanoscopy with sub-Å localization superresolution that allows us to distinguish individual ANPs within tightly packed clusters.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Generalized Power Flow Model of an Extra High-Power Multi-Terminal HVdc Transmission Grid with Parallel-Connected and Voltage-Stacked Converters

To increase power transfer capacity of high-voltage direct current (HVdc) transmission, a new extra high-power HVdc architecture with multiple standard modular multilevel converters (MMCs) per substation has recently been introduced. This paper proposes a power flow model for a multi-terminal HVdc (MTdc) grid with this innovative substation architecture. The proposed MTdc model can be integrated seamlessly with existing ac-dc power flow algorithms with minimal modifications. The model is applicable to various MTdc grid types and topologies, different numbers of dc buses, dc lines, and MMCs per substation, along with diverse control parameters. In addition, it accurately captures both balanced and unbalanced operations of the MTdc grid. The proposed model is verified using a 5-terminal bipole MTdc grid that spans 4 areas in the Eastern Interconnection system of the USA. The numerical solutions obtained from unified and sequential ac-dc power flow algorithms under different operating conditions closely match the time-domain simulation results in PSCAD, validating the accuracy and versatility of the proposed MTdc power flow model.

Nguyen, Quan H.↗

DOE OSTI2024

A Fully Decentralized Modulation Scheme for Modular Multilevel Converters

As the number of submodules rapidly increase, control architecture of Modular Multilevel Converters (MMCs) is transforming from centralized to distributed in order to address the challenges of tremendous computational burden and massive wiring. In this digest, we propose a modulation scheme for the MMCs with distributed controls, where each submodule is able to handle both controls and modulation in a decentralized manner. It enables the distributed controllers to synchronize in terms of fast-switching pulse width modulation (PWM). Aiming at this key technical challenge, this research develops a physics-informed PWM control strategy of mirroring the spontaneous synchronization feature of coupled oscillator’s behavior at switching frequency. Thanks to less reliance on wirings and communications, the proposed approach has the potential of i) improving reliability of MMC systems, and ii) reducing cost and space requirements for MMCs. The proposed approach has been preliminarily verified through a simulation tool for power electronics systems.

Lu, Minghui [BATTELLE (PACIFIC NW LAB)]↗

DOE OSTI2022

Medium Voltage Energy Hub Based on Multilevel Cascaded H Bridge-Dual Active Bridge Back-to-Back Converter for Power Distribution Feeders Interconnection and Multiple Simultaneous Grid Services

This paper presents a medium voltage energy hub based on a modular design of a multilevel cascaded H bridge (CHB)-dual active bridge (DAB) converter. The energy hub composed of the two CHB-DAB modules with a back-to-back topology can be utilized as a grid interconnection component between distribution feeders. The energy hub can provide multiple simultaneous grid services such as voltage regulation, power factor correction, as well as active power flow control between the connected feeders, contributing to grid flexibility, efficiency, reliability, and resilience. Circuit structure and control schemes for the energy hub including both local controllers for each converter and outer loop controllers are proposed to enable simultaneous grid services with coordination to prevent the overloading of the hub. To validate the performance of the hub, the hub system is interconnected between two IEEE 4-bus feeders and provides voltage regulation for both feeders, while controlling active power flow between them. The system and the feeders are implemented in Real-Time Digital Simulator (RTDS) for real-time simulation verification.

Choi, Jongchan↗

DOE OSTI2020

Multilevel Techniques for Compression and Reduction of Scientific Data---The Unstructured Case

Previous work on multilevel techniques for compression and reduction of scientific data is extended to the case of data given on unstructured meshes in two and three dimensions. The centerpiece of the work is a decomposition algorithm which is shown to be optimal, in terms of both storage and operational complexity, applicable to unstructured grids in both two and three dimensions, and which implicitly gives a Riesz basis that can be exploited to reduce the data while maintaining rigorous bounds on the loss incurred. The flexibility of the approach is illustrated by applications to potential flow around an airfoil and the effect of compression on quantities of interest relevant to airfoil design; compression of computational simulation of a nonlinear reaction-diffusion system with special attention given to the problem of time series reduction; and, data from a simulation of magnetically confined plasma in a fusion reactor reduced so as to preserve the electric field computed from the data.

97 MATHEMATICS AND COMPUTING↗