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At least 1,585 records · Page 88

Component Modeling, Co-Optimization, and Trade-Space Evaluation (FY2021 Annual Progress Report)

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap devices and ceramic capacitors. This project includes: (1) a survey of available technologies; (2) the development of design tools that consider the converter volume and performance; (3) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, and select topologies; and (4) building and testing hardware prototypes to validate models and concepts. Early instantiations of the design tools enable co-optimization of the power module and passive elements and provide some design guidance; later instantiations will enable the co-optimization of inverter and machine. Prototype testing begins with evaluation of simpler conversion topologies (i.e. the half-bridge boost converter) and progresses with fabrication of prototype inverter drives.

33 ADVANCED PROPULSION SYSTEMS↗

On the use of Graphs for Test Sequence Selection

This report demonstrates that applying graph theory techniques provides a way to obtain sufficient statistics in finding errors when testing complex state machines. It discusses how to define the tests, then demonstrates how to automatically generate test suites that diversify test cases, subject to constraints. If included within a continuous integration approach, these constructs provide an unbiased means to systematically check for errors within the latest controller software release.

97 MATHEMATICS AND COMPUTING↗

Model for Aggregated Water Heater Load Using Dynamic Bayesian Networks

The transition to the new generation power grid, or “smart grid”, requires novel ways of using and analyzing data collected from the grid infrastructure. Fundamental functionalities like demand response (DR), that the smart grid needs, rely heavily on the ability of the energy providers and distributors to forecast the load behavior of appliances under different DR strategies. This paper presents a new model of aggregated water heater load, based on dynamic Bayesian networks (DBNs). The model has been validated against simulated data from an open source distribution simulation software (GridLAB-D). The results presented in this paper demonstrate that the DBN model accurately tracks the load profile curves of aggregated water heaters under different testing scenarios.

Vlachopoulou, Maria↗

Git Replacement for the

GRAPE is a tool for managing software project workflows for the Git version control system. It provides a suite of tools to simplify and configure branch based development, integration with a project's testing suite, and integration with the Atlassian Stash repository hosting tool.

Robinson, P.↗

Preliminary Findings of the South Africa Power System Capacity Expansion and Operational Modelling Study: Preprint

Wind and solar power contract prices have recently become cheaper than many conventional new-build alternatives in South Africa and trends suggest a continued increase in the share of variable renewable energy (vRE) on South Africa's power system with coal technology seeing the greatest reduction in capacity, see 'Figure 6: Percentage share by Installed Capacity (MW)' in [1]. Hence it is essential to perform a state-of-the-art grid integration study examining the effects of these high penetrations of vRE on South Africa's power system. Under the 21st Century Power Partnership (21CPP), funded by the U.S. Department of Energy, the National Renewable Energy Laboratory (NREL) has significantly augmented existing models of the South African power system to investigate future vRE scenarios. NREL, in collaboration with Eskom's Planning Department, further developed, tested and ran a combined capacity expansion and operational model of the South African power system including spatially disaggregated detail and geographical representation of system resources. New software to visualize and interpret modelling outputs has been developed, and scenario analysis of stepwise vRE build targets reveals new insight into associated planning and operational impacts and costs. The model, built using PLEXOS, is split into two components, firstly a capacity expansion model and secondly a unit commitment and economic dispatch model. The capacity expansion model optimizes new generation decisions to achieve the lowest cost, with a full understanding of capital cost and an approximated understanding of operational costs. The operational model has a greater set of detailed operational constraints and is run at daily resolutions. Both are run from 2017 through 2050. This investigation suggests that running both models in tandem may be the most effective means to plan the least cost South African power system as build plans seen to be more expensive than optimal by the capacity expansion model can produce greater operational cost savings seen only in the operational model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Development and evaluation of a variably saturated flow model in the global E3SM Land Model (ELM) version 1.0

Abstract. Improving global-scale model representations of near-surface soil moisture and groundwater hydrology is important for accurately simulating terrestrial processes and predicting climate change effects on water resources. Most existing land surface models, including the default E3SM Land Model (ELMv0), which we modify here, routinely employ different formulations for water transport in the vadose and phreatic zones. Clark et al. (2015) identified a variably saturated Richards equation flow model as an important capability for improving simulation of coupled soil moisture and shallow groundwater dynamics. In this work, we developed the Variably Saturated Flow Model (VSFM) in ELMv1 to unify the treatment of soil hydrologic processes in the unsaturated and saturated zones. VSFM was tested on three benchmark problems and results were evaluated against observations and an existing benchmark model (PFLOTRAN). The ELMv1-VSFM's subsurface drainage parameter, fd, was calibrated to match an observationally constrained and spatially explicit global water table depth (WTD) product. Optimal spatially explicit fd values were obtained for 79 % of global 1.9∘ × 2.5∘ grid cells, while the remaining 21 % of global grid cells had predicted WTD deeper than the observationally constrained estimate. Comparison with predictions using the default fd value demonstrated that calibration significantly improved predictions, primarily by allowing much deeper WTDs. Model evaluation using the International Land Model Benchmarking package (ILAMB) showed that improvements in WTD predictions did not degrade model skill for any other metrics. We evaluated the computational performance of the VSFM model and found that the model is about 30 % more expensive than the default ELMv0 with an optimal processor layout. The modular software design of VSFM not only provides flexibility to configure the model for a range of problem setups but also allows for building the model independently of the ELM code, thus enabling straightforward testing of the model's physics against other models.

58 GEOSCIENCES↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

FY2017 Updates to the SAS4A/SASSYS-1 Safety Analysis Code

The SAS4A/SASSYS-1 safety analysis software is used to perform deterministic analysis of anticipated events as well as design-basis and beyond-design-basis accidents for advanced fast reactors. It plays a central role in the analysis of U.S. DOE conceptual designs, proposed test and demonstration reactors, and in domestic and international collaborations. This report summarizes the code development activities that have taken place during FY2017. Extensions to the void and cladding reactivity feedback models have been implemented, and Control System capabilities have been improved through a new virtual data acquisition system for plant state variables and an additional Block Signal for a variable lag compensator to represent reactivity feedback for novel shutdown devices. Current code development and maintenance needs are also summarized in three key areas: software quality assurance, modeling improvements, and maintenance of related tools. With ongoing support, SAS4A/SASSYS-1 can continue to fulfill its growing role in fast reactor safety analysis and help solidify DOE’s leadership role in fast reactor safety both domestically and in international collaborations.

97 MATHEMATICS AND COMPUTING↗

Direct Estimation of Parameters in ODE Models Using WENDy: Weak-Form Estimation of Nonlinear Dynamics

Abstract We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of $$C^{\infty }$$ C ∞ bump functions of varying support sizes.We demonstrate the high robustness and computational efficiency by applying WENDy to estimate parameters in some common models from population biology, neuroscience, and biochemistry, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at https://github.com/MathBioCU/WENDy .

97 MATHEMATICS AND COMPUTING↗

FTTN: Feature-Targeted Testing for Numerical Properties of NVIDIA & AMD Matrix Accelerators

While NVIDIA has been the dominant provider of GPUs for HPC and ML, now AMD has several offerings of GPUs. This encourages programmers to try out AMD GPUs for new codes and also port existing codes over. Unfortunately, without understanding the floating-point differences between these GPU types, software development or porting can introduce bugs—and currently such an understanding is lacking. The magnitude of this open question becomes clear if one imagines the the number of floating-point precision choices (FP16, FP32, etc.), floating-point formats (standard floats, brain-float, etc.), and execution units available (elementary units, matrix/tensor cores, etc.) Questions such as rounding modes and subnormal support are also important. Most of these answers are unknown today or are hard to access. We provide the first testing-guided approach that answers a significant number of these questions. We also devise tests to reveal internal information (e.g., extra bits kept) to make sure that our findings are reliable. Many of our tests employ systematically generated random-programs, others apply fast-math flags and some involve fused multiplyadd. Especially for tensor/matrix cores, the tests have nontrivial logic that we present Our testing approach is reusable for the plethora of GPUs yet to be introduced. Our findings include up to 7 ulps of difference between NVIDIA and AMD for sin and cos at FP32 precision and 3 ulp at FP64. In our study of matrix cores (NVIDIA) and tensor cores (AMD), we have extensively characterized rounding modes (truncation versus round-to-nearest), the number of extra internal bits kept (whether 3 bits are kept or not), subnormal support for inputs and outputs across four different floating-point formats and across NVIDIA A100 and AMD MI250X GPUs. We believe that this wealth of data becoming available for the first time may help avoid significant porting bugs when migrating code across these platforms.

Li, Xinyi↗

Thermal-Hydraulics Modeling and Simulations of Hot Pool Using the SAS-CFD Coupled Code

The main goal of this activity is to test the dynamic coupling of the SAS4A/SASSYS-1 (SAS) and CFD models, using a recently patched version of the SAS code intended to address an undocumented limitation that hindered the Versatile Test Reactor (VTR) simulation efforts in FY21. As described in previous VTR calculation reports, the undocumented limitation in SAS v5.4 does not allow the user to activate the CFD coupling option during restart calculations. Since the analysts were unaware of this limitation, prior SAS-CFD simulation results for the protected station blackout (PSBO) transient were erroneous. Root-cause analysis was performed to determine the cause of this undocumented limitation in SAS v5.4, the SAS software was updated in a new patch, and the SAS-CFD simulations were repeated with this patched software. The results of the SAS-CFD simulations documented in this report show that the software patch does address the cited issue, and that the patched software indeed supports the activation of the CFD coupling model in restart calculations. The SAS development team will determine the schedule for implementing the patch in an official software release. This report documents updated SAS-CFD simulations of the PSBO transient response in the VTR. The hot pool is modeled with the CFD code STAR-CCM+, which is coupled at the flow boundaries to the SAS model of the primary heat transport system. SAS computes the mass flow rate and temperature at each core subassembly outlet, the thermal insulation cavity bypass, and the IHX inlet windows. CFD in turn computes the absolute pressure and temperature at each of these boundaries. The SAS code will ignore the temperature data at flow boundaries where flow is directed into the hot pool, i.e., at the core subassembly outlets unless flow reversal occurs. Similarly, CFD will ignore temperature data at boundaries where the flow is directed out of the hot pool, i.e., at the IHX inlets except under flow reversal. The focus of this work is to ensure that the SAS software patch addresses the undocumented limitation described in prior VTR calculation reports, rather than the accurate assessment of thermal stratification in the VTR during protected transients. This motivates the development of a new, simplified CFD model with a coarser mesh to accelerate the testing process. The updated model, and simplifying assumptions, are documented in this report. In future work, the thermal stratification assessment should be performed in more detail. The simplified CFD model can be improved by performing grid convergence studies sensitivity studies of turbulence parameters (e.g., Prandtl number, turbulence production and dissipation parameters) on temperature distributions and thermal stratification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MO-FG-202-01: A Fast Yet Sensitive EPID-Based Real-Time Treatment Verification System

Purpose: To create a real-time EPID-based treatment verification system which robustly detects treatment delivery and patient attenuation variations. Methods: Treatment plan DICOM files sent to the record-and-verify system are captured and utilized to predict EPID images for each planned control point using a modified GPU-based digitally reconstructed radiograph algorithm which accounts for the patient attenuation, source energy fluence, source size effects, and MLC attenuation. The DICOM and predicted images are utilized by our C++ treatment verification software which compares EPID acquired 1024×768 resolution frames acquired at ∼8.5hz from Varian Truebeam™ system. To maximize detection sensitivity, image comparisons determine (1) if radiation exists outside of the desired treatment field; (2) if radiation is lacking inside the treatment field; (3) if translations, rotations, and magnifications of the image are within tolerance. Acquisition was tested with known test fields and prior patient fields. Error detection was tested in real-time and utilizing images acquired during treatment with another system. Results: The computational time of the prediction algorithms, for a patient plan with 350 control points and 60×60×42cm^3 CT volume, is 2–3minutes on CPU and <27 seconds on GPU for 1024×768 images. The verification software requires a maximum of ∼9ms and ∼19ms for 512×384 and 1024×768 resolution images, respectively, to perform image analysis and dosimetric validations. Typical variations in geometric parameters between reference and the measured images are 0.32°for gantry rotation, 1.006 for scaling factor, and 0.67mm for translation. For excess out-of-field/missing in-field fluence, with masks extending 1mm (at isocenter) from the detected aperture edge, the average total in-field area missing EPID fluence was 1.5mm2 the out-of-field excess EPID fluence was 8mm^2, both below error tolerances. Conclusion: A real-time verification software, with EPID images prediction algorithm, was developed. The system is capable of performing verifications between frames acquisitions and identifying source(s) of any out-of-tolerance variations. This work was supported in part by Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗

MPACT Software Management Plan (V.4.3)

The MPACT code solves a discretized form of the Boltzmann transport equation on a wide variety of geometries and is distributed with a multigroup neutron cross section library. MPACT provides an advanced geometrically resolved neutral-particle transport capability to solve the flux distribution throughout the entire problem geometry, and it can model the isotopic depletion, decay, and activation of materials. The flux solution in MPACT is provided using a 2D/1D synthesis method within the framework of the 3D coarse mesh finite difference (CMFD) method for which axial and radial correction factors are obtained from 2D method of characteristics (MOC) and 1D nodal expansion method (NEM), PN, or SN. Other key characteristics of the MPACT code include the subgroup method and the embedded self-shielding method (ESSM) for resonance treatment, depletion capability based on the ORIGEN exponential matrix method, and a simplified thermal-hydraulics method for temperature/fluid feedback. The sole purpose of the simplified feedback model is to provide a mechanism for testing during code development and to provide a limited capability for educational applications. Work performed at the code level supports the VERA-QA-001, quality assurance program plan (QAPP) and VERA-QA-002, VERA Software Quality Assurance Plan.

97 MATHEMATICS AND COMPUTING↗

The Cementitious Barriers Partnership (CBP) Software Toolbox Capabilities In Assessing The Degradation Of Cementitious Barriers

The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste and Nuclear Materials Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to 100 years and longer for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox has produced tangible benefits to the DOE Performance Assessment (PA) community. A review of prior DOE PAs has provided a list of potential opportunities for improving cementitious barrier performance predictions through the use of the CBP software tools. These opportunities include: 1) impact of atmospheric exposure to concrete and grout before closure, such as accelerated slag and Tc-99 oxidation, 2) prediction of changes in Kd/mobility as a function of time that result from changing pH and redox conditions, 3) concrete degradation from rebar corrosion due to carbonation, 4) early age cracking from drying and/or thermal shrinkage and 5) degradation due to sulfate attack. The CBP has already had opportunity to provide near-term, tangible support to ongoing DOE-EM PAs such as the Savannah River Saltstone Disposal Facility (SDF) by providing a sulfate attack analysis that predicts the extent and damage that sulfate ingress will have on the concrete vaults over extended time (i.e., > 1000 years). This analysis is one of the many technical opportunities in cementitious barrier performance that can be addressed by the DOE-EM sponsored CBP software tools. Modification of the existing tools can provide many opportunities to bring defense in depth in prediction of the performance of cementitious barriers over time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An extension to V ORO ++ for multithreaded computation of Voronoi cells

V ORO ++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. V ORO ++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that it can achieve parallel efficiencies greater than 95% in many cases. Further, the multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.

97 MATHEMATICS AND COMPUTING↗

Lowering post‐construction yield assessment uncertainty through better wind plant power curves

Abstract Many operational analyses of wind power plants require a statistical relationship, which can be called the wind plant power curve, to be developed between wind plant energy production and concurrent atmospheric variables. Currently, a univariate linear regression at monthly resolution is the industry standard for post‐construction yield assessments. Here, we evaluate the benefits in augmenting this conventional approach by testing alternative regressions performed with multiple inputs, at a finer time resolution, and using nonlinear machine‐learning algorithms. We utilize the National Renewable Energy Laboratory's open‐source software package OpenOA to assess wind plant power curves for 10 wind plants. When a univariate generalized additive model at daily or hourly resolution is used, regression uncertainty is reduced, in absolute terms, by up to 1.0 % and 1.2 % (corresponding to a −59 % and −80 % relative change), respectively, compared to a univariate linear regression at monthly resolution; also, a more accurate assessment of the mean long‐term wind plant production is achieved. Additional input variables also reduce the regression uncertainty: when temperature is added as an input to the conventional monthly linear regression, the operational analysis uncertainty connected to regression is reduced, in absolute terms, by up to 0.5 % (−43 % relative change) for wind power plants with strong seasonal variability. Adding input variables to the machine‐learning model at daily resolution can further reduce regression uncertainty, with up to a −10 % relative change. Based on these results, we conclude that a multivariate nonlinear regression at daily or hourly resolution should be recommended for assessing wind plant power curves.

17 WIND ENERGY↗