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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2024

Development of Decay Heat Sensitivity Analysis Capability in SCALE/ORIGEN

In this work, a decay heat sensitivity analysis capability was developed and implemented in the ORIGEN code of the SCALE nuclear modeling and simulation suite. This capability introduces improved numerical integration schemes, which overcome the challenges associated with accurately modeling the behavior of adjoint nuclide amounts during coarse time steps for both nuclide amount and decay heat sensitivity calculations. This capability significantly improves the accuracy of calculations without compromising computational efficiency compared to the existing method. Extensive verification was conducted for various benchmark problems, including a 238 Pu decay and an irradiation problem involving 135 Xe, evaluated with both coarse and fine time grids. The results show excellent agreement with reference direct perturbation solutions, reaffirming the computational accuracy of the newly proposed numerical integration methods. Furthermore, sensitivity analyses were performed for fission product inventories ( 147 Sm, 150 Sm, 155 Gd) in pressurized water reactor UO 2 and MOX fuel assemblies. These analyses demonstrated that the ORIGEN sensitivity analysis capability can capture detailed sensitivity coefficients and underlying physics in real applications. Additionally, a decay heat sensitivity analysis for high-assay low-enriched uranium fuel, including various initial 235 U enrichment and burnup points, highlights the extended capabilities of SCALE/ORIGEN in comprehensively assessing the factors influencing total decay heat. These advancements in ORIGEN offer valuable insights for reactor analysis, fuel design, and safety assessments, especially in the context of advanced nuclear fuel development and design changes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Sculpt: Automatic Parallel Hexahedral Mesh Generation

Sculpt is a companion application to Cubit designed to run in parallel for generating all-hex meshes of complex geometry. It uses a unique overlay-grid procedure that extracts surfaces from a volume-fraction representation of the geometry. This allows for fast, automatic, fault-tolerant meshing in a high-performance computing (HPC) environment. Although Sculpt can be driven from Cubit as a GUI front-end, Sculpt was developed as a separate application so that it can be run independently from Cubit on HPC computing platforms. It was also designed as a separable software library so it can be easily integrated as an in-situ meshing solution within other codes. This work provides a brief technical discussion of the algorithms used in Sculpt as well as a complete user's manual. It includes details of the Cubit interface to Sculpt and the complete manual for the stand-alone application, including examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗
DOE OSTI2024

Leveraging NREL's ResStock & ComStock Dataset to Evaluate Building Stock Electrification: Preprint

Residential and commercial buildings accounted for 40% of U.S. energy consumption in 2022 and represent a significant opportunity for decarbonization through energy efficiency and electrification, and for grid planning. Building stock energy modeling is a powerful tool that can evaluate what-if scenarios as utilities, municipalities, policymakers, building owners and others work towards equitable building decarbonization and climate goals. This presentation will highlight several high-impact use cases of the National Renewable Energy Laboratory (NREL)'s highly granular, bottom-up building stock energy modeling tools, ResStock and ComStock. These use cases cover a wide range of project scale, from neighborhood electrification analysis and municipality long-term energy planning, to state energy code development and national policy evaluation. This presentation will showcase specific real-world applications for which ResStock and ComStock have been utilized across the country, including California codes and standards cost-effectiveness analysis, New York City affordable housing electrification cost gap analysis, and California targeted electrification and gas decommissioning analysis. For each use case, this presentation will illustrate how ResStock and ComStock played a crucial role in accurately characterizing regional building stocks, providing discrete and aggregated end-use load shapes, and calculating lifecycle consumption, emissions, and costs for a variety of building electrification strategies and scenarios. Finally, this presentation will demonstrate how the data provided by ResStock and ComStock can help unlock significant outcomes for these use cases, including but not limited to, customer bill impact, incentive and program design, and energy equity analyses.

building stock modeling↗
DOE OSTI2017

Flexible Spatial Partitions in MPACT Through Module-Based Data Passing

As part of the Consortium for Advanced Simulation of Light Water Reactors (CASL), the Virtual Environment for Reactor Applications (VERA) is being developed to provide high-fidelity multiphysics simulations of nuclear reactor cores. The MPACT code being developed collaboratively by Oak Ridge National Laboratory and the University of Michigan is the primary deterministic neutron transport solver available within VERA. MPACT employs the 2D/1D method to solve 3D problems using 2D method of characteristics (MOC) radial transport solvers with 1D nodal expansion method-based P3 (NEM-P3) axial transport solvers, which are coupled using axial and radial transverse leakages. A 3D coarse mesh finite difference (CMFD) solver is used to provide accelerated convergence and stability. Quarter-core problems in MPACT are typically run on moderately sized clusters ({approx}500-10,000 cores). As such, it relies heavily on spatial decomposition, both radially and axially, using MPI data communication along spatial domain boundaries to pass angular flux boundary condition and neighboring data. The initial spatial decomposition strategy implemented into MPACT overlaid a Cartesian grid over the core to form the domain boundaries. With this approach, a single buffer spanning across the entire boundary between two spatial domains is passed to a domain's neighbor. Additionally, only one neighboring domain index was allowed in each direction. For example, the entire eastern boundary of a domain must be the entire western boundary of the corresponding neighbour's domain. This implementation helped to execute cases on several thousand cores, where substantial radial decomposition was used. The default for several years was to use assembly decomposition, which yielded 73 radial partitions in the Watts Bar Unit 1 (WBN1) models being analyzed. However, as CASL formed stronger connections with industry partners, there was a strong push to allow MPACT to run on fewer cores, preferably in the 500-1,000 core range. Such cases require much less radial decomposition, typically with 8-16 radial domains on each plane. Unfortunately, the previous decomposition strategy is very limited in its ability to yield well-balanced domains, and it does not permit partitions with an arbitrary number of domains, particularly with small numbers of radial domains (3, 5, 7, 11, 13, etc.). With these limitations, a more flexible approach that provided more even-load balancing was needed. The details of this new strategy are outlined here, along with insights to its advantages. The examples provided are for the WBN1 core, which has been the focus of several initial CASL analyses. It is worth noting that spatial decomposition strategies have been employed in many codes with focus on a number of different transport methodologies. The references cited are not exhaustive as this has been very important research topic across many areas.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Ambient energy for buildings: Beyond energy efficiency

The following Key Messages comprise the salient findings of this study: 1. Ambient energy (from sun, air, ground, and sky) can heat and cool buildings; provide hot water, ventilation and daylighting; dry clothes; and cook food. These services account for about three-quarters of building energy consumption and a third of total US demand. Biophilic design (direct and indirect connections with nature) is an intrinsic adjunct to ambient energy systems, and improves wellness and human performance. 2. The current strategy of electrification and energy efficiency for buildings will not meet our climate goals, because the transition to an all-renewable electric grid is too slow. Widespread adoption of ambient energy is needed. Solar-heated buildings also flatten the seasonal demand for electricity compared to all-electric buildings, reducing required production capacity and long-term energy storage. In addition, ambient-conditioned buildings improve resilience by remaining livable during power outages. 3. National policies, incentives, and marketing should be enacted to promote ambient energy use. Federal administrative priorities should reflect the importance of ambient energy for buildings. Use of ambient energy should be encouraged through existing and new building codes and standards. 4. Ambient energy system design tools are needed for architects, engineers, builders, building scientists, realtors, appraisers, and consumers. PVWatts is used over 100 million times per year for photovoltaic system design. A similar, simple, and accessible tool for ambient design is crucial. 5. Training on ambient energy is needed throughout secondary, post-secondary, and continuing education for workforce development. Currently, only about 10% of colleges teach courses on passive heating and cooling systems. 6. Ambient-conditioned buildings should be demonstrated in all US climate zones. Performance should be monitored and reported, with quantitative case studies made widely available. 7. While current technology is sufficient to build high-performance ambient buildings now, research is needed to develop new technologies to harness ambient energy more effectively and more economically. Such advancements will facilitate adoption of ambient energy technologies in a wider range of buildings, including retrofits. Examples include windows with much lower thermal losses, use of the building shell as thermal storage, alternative light-weight thermal storage systems, sky radiation cooling systems, automated controls for solar gains and passive cooling, and ground coupling.

14 SOLAR ENERGY↗
DOE OSTI2023

Airfoil Computational Fluid Dynamics - 2k shapes, 25 AoA's, 3 Re numbers

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 1,830 airfoil shapes computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this dataset, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We sampled airfoil designs over both parameter spaces to explore the full range of possible shape variations. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, for or three different Reynolds' numbers (3M, 6M, and 9M), and for 25 angles of attack from -4 deg. to 20 deg. with 1 degree increments. Across all these various parameters, this dataset includes the results from over 250,000 CFD simulations. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy, in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_2k_data.ipynb.

2k↗
DOE OSTI2023

Airfoil Computational Fluid Dynamics - 9k shapes, 2 AoA's

This dataset contains aerodynamic quantities - including flow field values (momentum, energy, and vorticity) and summary values (coefficients of lift, drag, and momentum) - for 8,996 airfoil shapes, computed using the HAM2D CFD (computational fluid dynamics) model. The airfoil shapes were designed using the separable shape tensor parameterization that encodes two-dimensional shapes as elements of the Grassmann manifold. This data-driven approach learns two independent spaces of parameter from a collection of sample airfoils. The first captures large-scale, linear perturbations, and the second defines small-scale, higher-order perturbations. For this data, we used the G2Aero database of over 19,000 airfoil shapes to learn a parameter space that captured a wide array of shape characteristics. We fixed the linear deformations to be the mean over the database and sampled new shapes over a four-dimensional parameter space of higher-order perturbation. This sampling approaches allows for isolated analysis of non-linear airfoil shape deformations while holding other aspects (e.g., airfoil thickness) approximately constant. The aerodynamic quantities for the generated airfoil were obtained using the HAM2D code, which is a finite-volume Reynolds-averaged Navier-Stokes (RANS) flow solver. We employ a fifth-order WENO scheme for spatial reconstruction with Roe's flux difference scheme for inviscid flux and second-order central differencing for viscous flux. A preconditioned GMRES method is applied for implicit integration. The Spalart-Allmaras 1-eq turbulence model is used for the turbulence closure, and the Medida-Baeder 2-eq transition model is applied to account for the effects of laminar turbulent transition. The airfoil grid is generated with a total of 400 points on the airfoil surface, the initial wall-normal spacing of y+ = 1, and an outer boundary located at 300 chord lengths away from the wall. The CFD simulations are performed at a freestream Mach number of 0.1, Reynolds number of 9M, and at two angles of attack, 4 deg. and 12 deg. The simulations were performed using the Bridges-2 system at the Pittsburgh Supercomputing Center in February 2023 as part of the INTEGRATE project funded by the Advanced Research Projects Agency - Energy in the U.S. Department of Energy. The data was collected, reformatted, and preprocessed for this OEDI submission in July 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub Repository resource under explore_airfoil_9k_data.ipynb.

9k↗
DOE OSTI2017

Uncertainty and Sensitivity Analysis of TREAT Transient Test #15

The U.S. Department of Energy (DOE) is preparing for the resumption of transient testing using the Transient Reactor Test Facility (TREAT) located at the Idaho National Laboratory (INL). In order to support the analysis of TREAT operation and experiment planning, the MAMMOTH reactor physics team has recently begun development of uncertainty and sensitivity analysis for the TREAT core simulated via MAMMOTH. MAMMOTH is a high-fidelity three-dimensional transient multi-physics code developed at INL under the DOE-NE Advanced Modeling and Simulation program (NEAMS) [1]. This research is part of the development presenting some initial uncertainty and sensitivity analysis of TREAT Transient Test #15 [2]. In this summary, we employ the Sobol sampling strategy implemented in RAVEN [3] to efficiently perform the sensitivity and uncertainty analysis. The idea is using Sobol functional decomposition with generalized polynomial chaos (gPC) expansions to estimate the responses of interest [4]. The gPC coefficients are then computed via the spectral projection method with sparse grid approach. In addition, this strategy includes evaluation of the second or higher order sensitivity indices, allowing the study of interactions between several input variables. The principal focus of this analysis is to quantify the uncertainties in the total power and maximum fuel temperatures with respect to uncertainties in the initial transient conditions, such as rated power, fuel temperature, graphite fuel density and control rod boron concentration. In addition, both the first order and second order time-dependent sensitivity indices are computed and analyzed. The results show that the interactions between initial control rod boron concentration and the rated power will contribute at most 1% to the total uncertainty of the power peak.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Development of Preliminary VERA-CS Crud Induced Localized Corrosion Modeling Capability

The objective of this milestone was to develop a crud-induced localized corrosion (CILC) screening capability in VERA-CS using existing codes and capabilities that had been developed in the Consortium for Advanced Simulation of Light Water Reactors (CASL) as part of the efforts to resolve the crud challenge problem. The milestone work focused on improving existing CASL software and implementing clad corrosion modeling into VERA-CS. Clad corrosion modeling was implemented by creating an application interface (API) in the Cicada software so that its clad heat transfer and corrosion models could be used in VERA-CS. Cicada was coupled to the subchannel code CTF for solving crud and corrosion growth. Additionally, a clad corrosion model was added directly to CTF to serve as an alternate approach. The rod thermal hydraulic reconstruction (ROTHCON) process, which is used for capturing computational fluid dynamics (CFD)-predicted rod-surface heat and turbulence behavior that can impact crud-induced power shift (CIPS) and CILC prediction, was also implemented into VERA-CS. Usability improvements were made to this feature, which was developed over several previous milestones, so that the VERA-CS user can link spacer grids in a VERA-CS model to an applicable pregenerated spacer grid data file if available. Several assessments were performed to demonstrate the proper functioning of the new capability. Sensitivity studies were performed to demonstrate the effect of crud lithium content, oxide thermal conductivity, Cicada mesh refinement, and ROTHCON coupling mesh refinement on predicted amounts of crud and oxide growth. A full-scale demonstration was performed by running Seabrook Cycle 5 with the CILC capability. Some general observations were made from the assessments. It was observed that predicted corrosion thickness is less than anticipated for CILC cases, so further work is needed to better understand and improve the corrosion modeling. Refining the coupling mesh in the ROTHCON process leads to increased corrosion and crud thickness, which can affect where crud and corrosion grow, how thick it gets, and how many rods experience crud and corrosion growth. Results indicate that applying the ROTHCON process and refining the coupling mesh leads to only a slight increase in total core maximum crud and corrosion thickness, but it leads to a significant increase in the number of rods with a maximum thickness that surpasses a set threshold value (i.e., more rods grow thicker corrosion and crud). Computational performance of the simulation is degraded by a factor of 5{6 with high coupling mesh refinement. The impact of the ROTHCON coupling mesh refinement on total core crud mass is less significant; however, using the ROTHCON process with CFD-generated data over the Yao{Hochreiter{Leech (YHL) model in CTF leads to significantly different amounts of total core crud mass. Future work on the CILC screening capability will include model improvement and validation, development and testing of a CILC-risk screening criteria, and performance improvements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Quantum effects on the dynamics and properties of soft materials

The quantum effects of nuclear and electronic motion play an important role in the structure, dynamics, and function of soft materials, yet they are difficult to capture with conventional classical simulations or static electronic–structure methods. In this work several complementary approaches for treating quantum effects in polymeric and soft–matter systems are demonstrated, with a focus being on the hydrogen-bonded networks, ion and charge transport, and photoactive chromophores. The proton transfer, tunneling, and isotope effects are captured within the reduced-dimensionality models by implementing grid-based nuclear quantum dynamics in terms of the discrete variable and Fourier bases. The nuclear quantum dynamics is extended to larger systems by employing the quantum trajectories and quantum–thermal bath schemes combined with on-the-fly electronic structure, enabling the description of high-dimensional polymeric environments at feasible cost. The dynamics in the electronic degrees of freedom, simulating the optical response in large chromophores such as chlorophylls, is performed using the real-time time-dependent density functional theory implemented in the real-space multigrid (RMG) code. These approaches are demonstrated on case studies of the proton and hydroxide transport in hydrated polymer membranes, charge transfer in conjugated polymers, and the optical spectra of chlorophyll chromophores relevant to polymerized chlorophyll materials and chlorophyll–polymer hybrids. The reviewed methods and applications highlight practical routes of including quantum effects in simulations of soft functional materials.

Garashchuk, Sophya [Univ. of South Carolina, Colum↗
DOE OSTI2026

Fast solvers for tokamak fluid models with PETSc

Multigrid (MG) is widely recognized as a highly effective solver for the model problem, the Laplacian, but textbook MG fails on most problems of interest. MG methods have been applied to complex, real-world applications with careful consideration of the physical model and discretization. In this work we develop the first step in applying MG methods to science and engineering relevant magnetohydrodynamics (MHD) tokamak models in the M3D-C1 (https://m3dc1.pppl.gov) fusion energy science code. The semi-implicit time integrator in M3D-C1 is composed of many linear solves. The implicit advance of the momentum equation is the most challenging and is the focus of this work. The current production solver in M3D-C1 is a block Jacobi (BJ) preconditioner within a Krylov solver, where blocks group degrees of freedom on planes of constant toroidal coordinate. BJ convergence degrades as the number of planes increases due to the spectral properties of the matrix preconditioned with BJ. The partially magnetic field-aligned, regular toroidal grid structure in M3D-C1 is amenable to semi-coarsening geometric MG in the toroidal direction. This paper develops such a solver and demonstrates competitive performance on a runaway electron model of a SPARC (https://cfs.energy/technology/sparc) disruption, and superior robustness on a stellarator model on which the BJ solver fails to converge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows

High-order Godunov methods for gas dynamics have become a standard tool for simulating different classes of astrophysical flows. Their accuracy is mostly determined by the spatial interpolant used to reconstruct the pair of Riemann states at cell interfaces and by the Riemann solver that computes the interface fluxes. In most Godunov-type methods, these two steps can be treated independently, so that many different schemes can in principle be built from the same numerical framework. Because astrophysical simulations often test out the limits of what is feasible with the computational resources available, it is essential to find the scheme that produces the numerical solution with the desired accuracy at the lowest computational cost. However, establishing the best combination of numerical options in a Godunov-type method to be used for simulating a complex hydrodynamic problem is a nontrivial task. In fact, formally more accurate schemes do not always outperform simpler and more diffusive methods, especially if sharp gradients are present in the flow. For this work, we used our fully compressible Seven-League Hydro (SLH) code to test the accuracy of six reconstruction methods and three approximate Riemann solvers on two- and three-dimensional (2D and 3D) problems involving subsonic flows only. We considered Mach numbers in the range from 10 −3 to 10 −1 , which are characteristic of many stellar and geophysical flows. In particular, we considered a well-posed, 2D, Kelvin–Helmholtz instability problem and a 3D turbulent convection zone that excites internal gravity waves in an overlying stable layer. Although the different combinations of numerical methods converge to the same solution with increasing grid resolution for most of the quantities analyzed here, we find that (i) there is a spread of almost four orders of magnitude in computational cost per fixed accuracy between the methods tested in this study, with the most performant method being a combination of a low-dissipation Riemann solver and a sextic reconstruction scheme; (ii) the low-dissipation solver always outperforms conventional Riemann solvers on a fixed grid when the reconstruction scheme is kept the same; (iii) in simulations of turbulent flows, increasing the order of spatial reconstruction reduces the characteristic dissipation length scale achieved on a given grid even if the overall scheme is only second order accurate; (iv) reconstruction methods based on slope-limiting techniques tend to generate artificial, high-frequency acoustic waves during the evolution of the flow; and (v) unlimited reconstruction methods introduce oscillations in the thermal stratification near the convective boundary, where the entropy gradient is steep.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Numerical implications of including drifts in SOLPS-ITER simulations of EAST

The inclusion of drifts in plasma edge codes like SOLPS-ITER is required to match simulation data with experimental profiles. However, this remains numerically challenging. In this paper, the effect of some numerical factors on the final plasma solution is investigated. This study is performed on three EAST simulations in the upper single null configuration: an attached purely deuterium case, an attached case with limited Ne-seeding, and a detached Ne-seeded case. The effects of the anomalous conductivity and anomalous thermo-electric coefficient on the plasma potential are investigated. Next, the effect of the employed grids is shown. In order to investigate these effects, accurate drift simulations are needed. Therefore, the employed time step and numerical parameters are discussed for the three studied simulations. For all presented simulations, it is verified that the restriction of the grid to the first flux surface tangent to the main chamber wall is sufficient within the context of non-extended simulations. This means that the main power dissipation takes place inside the simulated domain, and only a small fraction of the power is leaving the B2.5 grid through the grid boundary closest to the first wall. Finally, the effect of drifts on the asymmetry between the inner and outer target for EAST simulations is demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

2020 IEEE PES Innovative Smart Grid Technologies Europe (ISGT-Europe)

Recent proliferation of distributed energy sources in distribution or sub-transmission systems necessitates close monitoring of these three-phase power grids which typically operate under unbalanced loading conditions. Unlike the transmission systems where the network equations are commonly based on the positive sequence component models, a detailed three phase model will have to be used in implementing network applications for these systems. In the specific case of the state estimator, where measurement and parameter errors may bias the solution, bad data and parameter error detection algorithms should also be incorporated. Implementing the state estimator and error detection algorithms for three-phase systems impose additional computational burden and modifications to the state estimation code. This paper proposes a practical solution to avoid these issues by using synchronized phasor measurements and modal decoupling. The previously developed parameter error detection algorithm based on the normalized Lagrange multipliers (NLM) test is applied to the measurements independently in each mode in parallel, not only saving CPU time but also avoiding new code development for a three-phase estimator. Different parameter error scenarios are created and tested to verify the effectiveness of the proposed error detection approach.

Khalili, Ramtin↗
DOE OSTI2017

High Efficiency and Low Cost Thermal Energy Storage System

BgtL, LLC (BgtL) is focused on developing and commercializing its proprietary compact technology for processes in the energy sector. One such application is a compact high efficiency Thermal Energy Storage (TES) system that utilizes the heat of fusion through phase change between solid and liquid to store and release energy at high temperatures and incorporate state-of-the-art insulation to minimize heat dissipation. BgtL’s TES system would greatly improve the economics of existing nuclear and coal-fired power plants by allowing the power plant to store energy when power prices are low and sell power into the grid when prices are high. Compared to existing battery storage technology, BgtL’s novel thermal energy storage solution can be significantly less costly to acquire and maintain, does not have any waste or environmental emissions, and does not deteriorate over time; it can keep constant efficiency and operates cleanly and safely. BgtL’s engineers are experienced in this field and are able to design and engineer such a system to a specific power plant’s requirements. BgtL also has a strong manufacturing partner to fabricate the system such that it qualifies for an ASME code stamp. BgtL’s vision is to be the leading provider of compact systems for various applications including energy storage. BgtL requests that all technical information about the TES designs be protected as proprietary information. To honor that request, only non-proprietay summaries are included in this report.

25 ENERGY STORAGE↗
DOE OSTI2019

A communication-avoiding 3D algorithm for sparse LU factorization on heterogeneous systems

We propose a new algorithm to improve the strong scalability of right-looking sparse LU factorization on distributed memory systems. Our 3D algorithm for sparse LU uses a three-dimensional MPI process grid, exploits elimination tree parallelism, and trades off increased memory for reduced per-process communication. We also analyze the asymptotic improvements for planar graphs (e.g., those arising from 2D grid or mesh discretizations) and certain non-planar graphs (specifically for 3D grids and meshes). For a planar graph with $n$ vertices, our algorithm reduces communication volume asymptotically in $n$ by a factor of $\mathscr{O}$ $\Big(\sqrt{log \ n}\Big)$ and latency by a factor of $\mathscr{O}$ $(log \ n)$. For nonplanar cases, our algorithm can reduce the per-process communication volume by 3× and latency by $\mathscr{O}$ $\Big(n^\frac13\Big)$ times. In all cases, the memory needed to achieve these gains is a constant factor. We implemented our algorithm by extending the 2D data structure used in SuperLU_DIST. Our new 3D code achieves empirical speedups up to 27× for planar graphs and up to 3.3× for non-planar graphs over the baseline 2D SuperLU_DIST when run on 24,000 cores of a Cray XC30. We extend the 3D algorithm for heterogeneous architectures by adding the Highly Asynchronous Lazy Offload (Halo) algorithm for co-processor offload. On 4096 nodes of a Cray XK7 with 32,768 CPU cores and 4096 Nvidia K20x GPUs, the 3D algorithm achieves empirical speedups up to 24× for planar graphs and 3.5× for non-planar graphs over the baseline 2D SuperLU_DIST with co-processor acceleration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

FORCE Integration with DRAFT and IDAES

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to produce multiple commodities and improve economic viability under uncertain market conditions. Technical and economic analysis of IES requires modeling of complex processes with software models having enough fidelity to capture real-world dynamics while still being capable of running using reasonable computing resources. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Recent developments for the FORCE toolset have centered on strengthening the flexibility and modularity to link with external models and other available software to enhance IES simulations. Adding versatility to the FORCE toolset improves capability resulting in better techno-economic simulation of nuclear and IES components (both in potential higher fidelity and accuracy to expected performance after deployment). It also helps leverage existing work in the IES field and improve efficiency in national code development. This report focuses on two such endeavors: integration of the Dynamic Reliability Analysis Framework Tool (DRAFT) and the Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) software packages into FORCE.

97 MATHEMATICS AND COMPUTING↗