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Powered By ReEDS™ [Slides]

The National Renewable Energy Laboratory's flagship Regional Energy Deployment System (ReEDS) electric grid planning model is informing the answers to some of the biggest questions surrounding electricity sector research. Powered By ReEDS is the third webinar in the Powered By series. Each webinar highlights an innovative NREL grid planning and analysis tool and its real-world applications. The series is an exciting opportunity to learn directly from NREL's grid experts, so make sure to bring your questions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Reaching new peaks for the future of the CMS HTCondor Global Pool

The CMS experiment at CERN employs a distributed computing infrastructure to satisfy its data processing and simulation needs. The CMS Submission Infrastructure team manages a dynamic HTCondor pool, aggregating mainly Grid clusters worldwide, but also HPC, Cloud and opportunistic resources. This CMS Global Pool, which currently involves over 70 computing sites worldwide and peaks at 350k CPU cores, is employed to successfully manage the simultaneous execution of up to 150k tasks. While the present infrastructure is sufficient to harness the current computing power scales, CMS latest estimates predict a noticeable expansion in the amount of CPU that will be required in order to cope with the massive data increase of the High-Luminosity LHC (HL-LHC) era, planned to start in 2027. This contribution presents the latest results of the CMS Submission Infrastructure team in exploring and expanding the scalability reach of our Global Pool, in order to preventively detect and overcome any barriers in relation to the HL-LHC goals, while maintaining high effciency in our workload scheduling and resource utilization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Quantifying the Impact of Vertical Resolution on the Representation of Marine Boundary Layer Physics for Global-Scale Models

Abstract While GCM horizontal resolution has received the majority of scale improvements in recent years, ample evidence suggests that a model’s vertical resolution exerts a strong control on its ability to accurately simulate the physics of the marine boundary layer. Here we show that, regardless of parameter tuning, the ability of a single-column model (SCM) to simulate the subtropical marine boundary layer improves when its vertical resolution is improved. We introduce a novel objective tuning technique to optimize the parameters of an SCM against profiles of temperature and moisture and their turbulent fluxes, horizontal winds, cloud water, and rainwater from large-eddy simulations (LES). We use this method to identify optimal parameters for simulating marine stratocumulus and shallow cumulus. The novel tuning method utilizes an objective performance metric that accounts for the uncertainty in the LES output, including the covariability between model variables. Optimization is performed independently for different vertical grid spacings and value of time step, ranging from coarse scales often used in current global models (120 m, 180 s) to fine scales often used in parameterization development and large-eddy simulations (10 m, 15 s). Uncertainty-weighted disagreement between the SCM and LES decreases by a factor of ∼5 when vertical grid spacing is improved from 120 to 10 m, with time step reductions being of secondary importance. Model performance is shown to converge at a vertical grid spacing of 20 m, with further refinements to 10 m leading to little further improvement. Significance Statement In successive generations of computer models that simulate Earth’s atmosphere, improvements have been mainly accomplished by reducing the horizontal sizes of discretized grid boxes, while the vertical grid spacing has seen comparatively lesser refinements. Here we advocate for additional attention to be paid to the number of vertical layers in these models, especially in the model layers closest to Earth’s surface where climatologically important marine stratocumulus and shallow cumulus clouds reside. Our experiments show that the ability of a one-dimensional model to represent physical processes important to these clouds is strongly dependent on the model’s vertical grid spacing.

Meteorology & Atmospheric Sciences↗

Improving assessments of tidal power potential using grid refinement in the Coupled Ocean-Atmosphere-Wave-Sediment Transport model

Tidal currents are a promising source for future power generation given their periodicity and predictability. Therefore, numerical hydrodynamic models are frequently utilized for resource assessments. However, the relevant scales of the simulations and hence modeling techniques depend on the problem at hand. This paper shows the potential of the grid refinement technique for the assessment of tidal current energy for particular sites given its relatively low computational expense and high accuracy for the regions with the refined resolution. Example applications are described for mapping the tidal resources near two facilities (Portsmouth Naval Shipyard in Maine and Key West Naval Station in Florida) for possible future deployments of Marine Hydro-Kinetic technologies. The grid refinement capability in the coupled ocean-atmosphere-wave-sediment transport modeling system is used to improve the spatial resolution in the regions of interest, and has shown significant advantage over the original simulation results for the tidal power assessment. The numerical simulation results from both the original coarse grids and the refined grids are validated with measured tidal constituents at available locations. This study demonstrates how the enhancement of a model system for a regional tidal energy with grid refinement can assist with the performance of site specific resource assessments with modest computational expense.

Yang, Xiufeng↗

Extended Applications of Subgrid Representation in the 2D/1D Method

Recent efforts in MPACT have focused on improving the performance of the 2D/1D subplane implementation to help target computational performance goals. Here, we build on previous efforts that targeted the use of subgrid treatments to improve the accuracy of control rod representation, presenting three additional applications of subgrid treatments with the goal of reducing the computational burden of simulations. These subgrid applications include treatment of spacer grids, thermal feedback, and axial reflector material representation. With these approaches, a single method of characteristics (MOC) plane can contain several different materials axially that are represented explicitly via subgrids on the coarse mesh finite difference (CMFD) mesh but are axially homogenized on the MOC mesh. This allows for a substantial reduction in the number of MOC planes needed in the calculation through the introduction of an approximate treatment, particularly with regard to the self-shielded cross sections and MOC-informed radial current coupling coefficients in CMFD. Several test problems ranging from single rod to quarter core are used to assess the solution accuracy and performance of these various subgrid representations. Overall, the accuracy of the approximations seems very reasonable, with extremely small differences in eigenvalue observed and maximum pin power errors in the 0.5% to 1.0% range. Several cases show substantial value in the compromise between accuracy and computational performance. Others highlight the new computational hurdles that future research will aim to resolve.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Application of parallel distributed Lagrange multiplier technique to simulate coupled Fluid-Granular flows in pipes with varying Cross-Sectional area

Fluid-granular flows are common phenomena in nature and industry. Here, an efficient computational technique based on the distributed Lagrange multiplier method is utilized to simulate complex fluid-granular flows. Each particle is explicitly resolved on an Eulerian grid as a separate domain, using solid volume fractions. The fluid equations are solved through the entire computational domain, however, Lagrange multiplier constrains are applied inside the particle domain such that the fluid within any volume associated with a solid particle moves as an incompressible rigid body. The particle–particle interactions are implemented using explicit force-displacement interactions for frictional inelastic particles similar to the DEM method with some modifications using the volume of an overlapping region as an input to the contact forces. Here, a parallel implementation of the method is based on the SAMRAI (Structured Adaptive Mesh Refinement Application Infrastructure) library.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]

Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.

97 MATHEMATICS AND COMPUTING↗

Spatio-Temporal Data Analysis at Scale Using Models Based on Gaussian Processes

Gaussian processes are the most commonly used statistical model for spatial and spatio-temporal processes that vary continuously. They are broadly applicable in the physical sciences and engineering and are also frequently used to approximate the output of complex computer models, deterministic or stochastic. We undertook research related to theory, computation, and applications of Gaussian processes as well as some work on estimating extremes of distributions for which a Gaussian process assumption might be inappropriate. Our theoretical contributions include the development of new classes of spatial-temporal covariance functions with desirable properties and new results showing that certain covariance models lead to predictions with undesirable properties. To understand how Gaussian process models behave when applied to deterministic computer models, we derived what we believe to be the first significant results on the large sample properties of estimators of parameters of Gaussian processes when the actual process is a simple deterministic function. Finally, we investigated some theoretical issues related to maxima of observations with varying upper bounds and found that, depending on the circumstances, standard large sample results for maxima may or may not hold. Our computational innovations include methods for analyzing large spatial datasets when observations fall on a partially observed grid and methods for estimating parameters of a Gaussian process model from observations taken by a polar-orbiting satellite. In our application of Gaussian process models to deterministic computer experiments, we carried out some matrix computations that would have been infeasible using even extended precision arithmetic by focusing on special cases in which all elements of the matrices under study are rational and using exact arithmetic. The applications we studied include total column ozone as measured from a polar-orbiting satellite, sea surface temperatures over the Pacific Ocean, and annual temperature extremes at a site in New York City. In each of these applications, our theoretical and computational innovations were directly motivated by the challenges posed by analyzing these and similar types of data.

97 MATHEMATICS AND COMPUTING↗

Experimental measurements of fluid flow in an 84-pin hexagonal rod bundle with spacer grid for a gas-cooled fast modular reactor

A 50 MW e helium-cooled fast modular reactor (FMR) is under development, and as part of the Department of Energy Integrated Research Project (IRP), Texas A&M University is conducting the thermal-hydraulic characterization of its baseline core configuration. Here, we experimentally investigated the axial and cross flow fields characteristics in the hexagonal fuel rod bundle composed of 84 rods, a central rod, and spacer grids at a Reynolds number of 12,000. A fully transparent experimental facility resembling of one unit of the fuel assembly was constructed. Time-resolved particle image velocimetry (TR-PIV) measurements were performed to characterize hydraulic behavior downstream the spacer grid. Velocity measurements were conducted in the axial and radial direction of the rod bundle. From the PIV velocity vector fields, the full-field flow statistics were computed for the mean velocity, vorticity, and Reynolds stresses. An analysis of the energy decay downstream of the spacer grid was conducted with calculations of secondary-flow intensities, turbulent kinetic energy, power spectrum, and spatial-temporal velocity cross correlations. The vorticity field was obtained and pairs of counter-rotating vortexes were identified using a 3D reconstruction of several measurement planes. The data from this experimental campaign will be used to validate numerical models based on Computational Fluid Dynamics and other codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integrating Data Centers and Grid Technologies at Scale

This presentation focuses on the challenge of integrating AI-driven data centers with the power grid at scale. It examines the AI data center capacity challenge and the role of new Medium Voltage Direct Current (MVDC) and other grid-enhancing technologies in enabling efficient and reliable power delivery. The session will highlight the National Laboratory of the Rockies' ARIES capabilities and planning tools, along with collaborative examples involving Verrus, Compass, and Schneider through the Agora test bed for grid-friendly data center evaluations, and ON. Energy for UPS evaluation. It will showcase the NLR Stable Grid Platform for studying oscillations caused by large-scale data centers, along with planning tools to assess grid security and reliability. Additionally, the presentation covers reconductoring strategies to increase grid capacity and explores innovative data center architectures, including the Advanced DC Architectures with Power-electronic Transformers (ADAPT) platform, which enables testing of complete DC architectures for data centers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Generic FSC Wind Park EMT Model with IEEE Std 2800-Compliant Fault Ride-Through Capability

The modern power grid is seeing more and more electricity come from renewable sources like wind farms, which use sophisticated power electronics instead of traditional spinning generators. To keep everything running smoothly and meet industry standards such as IEEE 2800, these systems need smart control strategies. In our work, we built a flexible computer model of a full-scale wind farm converter that can handle grid disturbances without shutting down. When a fault or storm hits, the model’s built-in logic automatically adjusts the currents it sends to the grid and protects its internal energy storage, ensuring the wind farm stays connected and doesn’t damage its own equipment. Once the disturbance clears, the model restores normal operation seamlessly, so there’s no long interruption in power delivery. At the same time, it carefully regulates the voltage where the wind farm ties into the larger grid, helping to maintain safe voltage levels across the network. Our simulations show that this control setup not only meets all the requirements of IEEE Standard 2800 but also allows the wind farm to recover quickly and predictably, keeping the lights on no matter what happens on the grid.

17 WIND ENERGY↗

A Hybrid Finite-Volume, Discontinuous Galerkin Discretization for the Radiative Transport Equation

In this report we propose a hybrid spatial discretization for the radiative transport equation that combines a second-order discontinuous Galerkin (DG) method and a second-order finite-volume (FV) method. The strategy relies on a simple operator splitting that has been used previously to combine different angular discretizations. Unlike standard FV methods with upwind fluxes, the hybrid approach is able to accurately simulate problems in scattering dominated regimes. However, it requires less memory and yields a faster computational time than a uniform DG discretization. In addition, the underlying splitting allows naturally for hybridization in both space and angle. Numerical results are given to demonstrate the efficiency of the hybrid approach in the context of discrete ordinate angular discretizations and Cartesian spatial grids.

97 MATHEMATICS AND COMPUTING↗

Fast dose kernel interpolation using Fourier transform with application to permanent prostate brachytherapy dosimetry

Purpose: Boyer and Mok proposed a fast calculation method employing the Fourier transform (FT), for which calculation time is independent of the number of seeds but seed placement is restricted to calculation grid points. Here an interpolation method is described enabling unrestricted seed placement while preserving the computational efficiency of the original method. Methods: The Iodine-125 seed dose kernel was sampled and selected values were modified to optimize interpolation accuracy for clinically relevant doses. For each seed, the kernel was shifted to the nearest grid point via convolution with a unit impulse, implemented in the Fourier domain. The remaining fractional shift was performed using a piecewise third-order Lagrange filter. Results: Implementation of the interpolation method greatly improved FT-based dose calculation accuracy. The dose distribution was accurate to within 2% beyond 3 mm from each seed. Isodose contours were indistinguishable from explicit TG-43 calculation. Dose-volume metric errors were negligible. Computation time for the FT interpolation method was essentially the same as Boyer's method. Conclusions: A FT interpolation method for permanent prostate brachytherapy TG-43 dose calculation was developed which expands upon Boyer's original method and enables unrestricted seed placement. The proposed method substantially improves the clinically relevant dose accuracy with negligible additional computation cost, preserving the efficiency of the original method.

61 RADIATION PROTECTION AND DOSIMETRY↗

Multifidelity Monte Carlo estimation for efficient uncertainty quantification in climate-related modeling

Abstract. Uncertainties in an output of interest that depends on the solution of a complex system (e.g., of partial differential equations with random inputs) are often, if not nearly ubiquitously, determined in practice using Monte Carlo (MC) estimation. While simple to implement, MC estimation fails to provide reliable information about statistical quantities (such as the expected value of the output of interest) in application settings such as climate modeling, for which obtaining a single realization of the output of interest is a costly endeavor. Specifically, the dilemma encountered is that many samples of the output of interest have to be collected in order to obtain an MC estimator that has sufficient accuracy – so many, in fact, that the available computational budget is not large enough to effect the number of samples needed. To circumvent this dilemma, we consider using multifidelity Monte Carlo (MFMC) estimation which leverages the use of less costly and less accurate surrogate models (such as coarser grids, reduced-order models, simplified physics, and/or interpolants) to achieve, for the same computational budget, higher accuracy compared to that obtained by an MC estimator – or, looking at it another way, an MFMC estimator obtains the same accuracy as the MC estimator at lower computational cost. The key to the efficacy of MFMC estimation is the fact that most of the required computational budget is loaded onto the less costly surrogate models so that very few samples are taken of the more expensive model of interest. We first provide a more detailed discussion about the need to consider an alternative to MC estimation for uncertainty quantification. Subsequently, we present a review, in an abstract setting, of the MFMC approach along with its application to three climate-related benchmark problems as a proof-of-concept exercise.

54 ENVIRONMENTAL SCIENCES↗

Coupled Induction Machine and HVAC Models for Simulating HVAC Performance Considering Grid Dynamics in Buildings

This paper presents the development of novel models that integrate induction machines with HVAC equipment, such as pumps, heat pumps, and chillers, to analyze the impact of electrical parameters on the operational performance of thermo-fluid systems. The proposed model employs a coupling technique that captures the dynamic interactions between induction machines and HVAC systems. By integrating electrical, thermal, and mechanical dynamics, the models provide a comprehensive framework for simulating real-world scenarios, including interactions with the electrical grid. This achievement was made possible through the development of a Computationally Efficient and Accurate Induction Machine (CEAIM) model. Implemented using the equation-based Modelica language, the CEAIM model has been validated against experimental results, manufacturer data sheets, and various operating conditions. Its performance has been compared with existing induction machine models in the Modelica Standard Library (MSL), demonstrating superior accuracy and computational efficiency. The CEAIM model predicts torque, speed, and power consumption with a coefficient of determination (R 2 ) ranging from 0.98 to 1 and a coefficient of variation of root mean square error (CVRMSE) between 0.27% and 6.67%. Additionally, CEAIM scales more efficiently than conventional MSL models, with a slower computational growth rate in large-scale simulations. After thorough validation of the CEAIM model, it was coupled with HVAC equipment as this approach provides a detailed multi-dimensional view of capturing electrical transients and mechanical performance. To support this, a case study was conducted to showcase its capabilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DEEP Solar: Data DrivEn Modeling and Analytics for Enhanced System Layer ImPlementation

Realizing the SETO 2030 mission of reducing solar energy costs to 3-5 c/kWh will require innovative enabling research on effective, cost-efficient integration of local PV within distribution systems. However, the intermittent and variable nature of PVs compels operators to impose conservative hosting capacity constraints. Given the extremely high variability of (intermittent and unpredictable) solar energy generation, relaxing the capacity constraints (which are currently around 15%) and achieving 100% or greater integration of renewables will require a fundamental transformation of the power grid via the utilization of exponentially larger amounts of AMI enabled fine-grained data. To address the challenges in increasing the penetration of renewable energy based DERs, this project envisions an Enhanced System Layer (ESL) at the distribution network level that is reliable, cost-effective and scalable to millions of Distributed Energy Resources (DERs)/devices. This includes developing: 1) Transformative and highly scalable machine learning based predictive analytics tools that plug into distribution system planning and provide real-time situational awareness at the distribution level for short and long-term operational planning. The tools will be built using novel data-driven energy models of millions of active nodes with AMI, 2) Adaptive stochastic analysis and optimization algorithms for real-time grid operations, 3) Dynamic Scenario Analysis using parallel Cloudenabled implementations with < 1 minute computational cycle times.

14 SOLAR ENERGY↗

Architecture for Quantum-in-the Loop Real-Time Simulations for Designing Resilient Smart Grids

With the power grid growing more complex every day with the inclusion of new sensors and regulatory approvals that enable end-users and small local developers to participate in the grid, it is becoming challenging for conventional smart grid simulation, emulation, and testing technologies to keep up. In this work, we propose that quantum-encoded real-time simulations can be helpful under the new paradigm and operational circumstances to solve optimization problems for power grids. By leveraging the principles of quantum mechanics, the proposed quantum-in-loop (QIL) framework will enable better and faster optimization solutions based on real-world, real-time data streams, facilitating the real-time planning and operations of electrical grids that rely on millions of distributed sensors and controllers. Furthermore, QIL will allow researchers and engineers to assist utilities in designing, developing, and de-risking algorithms to optimize power grid operation and resilience by considering inputs from millions of grid-connected devices. QIL framework is being developed to have a self-limiting triage mechanism, which will help engineers and practitioners identify fundamental physical limits on quantum processors, revealing what quantum algorithms can and cannot do in utility-specific use cases and must continue to count on classical high-performance computing infrastructure.

digital real-time simulation↗

Final Report - Subcontract B623760

During my visit to LLNL during July 17{27, 2017, I worked on linear system solvers. The two level hierarchical solver that initiated our study was developed to solve linear systems arising from hp adaptive finite element calculations, and is implemented in the PLTMG software package, version 12. This preconditioner typically requires 3-20% of the space used by the stiffness matrix for higher order elements. It has multigrid like convergence rates for a wide variety of PDEs (self-adjoint positive de nite elliptic equations, convection dominated convection-diffusion equations, and highly indefinite Helmholtz equations, among others). The convergence rate is not independent of the polynomial degree p as p ! 1, but but remains strong for p 9, which is the highest polynomial degree allowed in PLTMG, due to limitations of the numerical quadrature rules implemented in the software package. A more complete description of the method and some numerical experiments illustrating its effectiveness appear in. Like traditional geometric multilevel methods, this scheme relies on knowledge of the underlying finite element space in order to construct the smoother and the coarse grid correction.

97 MATHEMATICS AND COMPUTING↗