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At least 289 records · Page 16

ExactPack: A python library of exact analytic solutions

Verification of multi-physics simulation software against problems with known analytic or semi-analytic solutions is an important aspect of research into a wide variety of fields involving the motion of fluids, shock physics and other dynamic material properties. Previous work comparing simulation results against analytic solutions has been ad-hoc, with developers frequently writing their own analytic solvers. This has resulted in a large amount of duplicated effort. The python library ExactPack has been developed as a collection of analytic and semi-analytic solvers to a variety of multi-physics problems, providing a consistent API to a set of well-tested solver implementations.

97 MATHEMATICS AND COMPUTING↗

The deal.II Library, Version 9.2

This work provides an overview of the new features of the finite element library deal.II, version 9.2.

97 MATHEMATICS AND COMPUTING↗

Enabling Interoperable SCADA Communications for PV Inverters through Embedded Controllers

The percentage integration of photovoltaic (PV) inverters in the field has increased significantly in the past 5 years. Regardless of the size of the PV plants and the inverters (residential vs. commercial), it is becoming crucial that these devices have the capability to communicate with peers (other smart devices) and with components that are at a hierarchy above the inverters (e.g., supervisory control and data acquisition (SCADA) systems, distributed controllers, and data managers). This project aims to develop a standard SCADA software code for inverters’ embedded controllers that will enable interoperability with other components in the system. To achieve this, the code will be developed using two different protocols: Distributed Network Protocol 3 and International Electrotechnical Commission 61850. The developed code is aimed to be deployed in simple embedded controllers. It will be tested in the National Renewable Energy Laboratory’s (NREL’s) Energy Systems Integration Facility. The tested code will then be made available through Triangle MicroWorks’s (TMW’s) software platform. The primary objectives of this project include training the NREL team with TMW’s embedded controller libraries, developing an interoperable communication code for embedded controllers, successfully testing and deploying the code, and demonstrating the newly developed code in a conference.

14 SOLAR ENERGY↗

The VTK-m Users' Guide (V.1.9)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC)

With the rapid growth in the capabilities of smaller satellites, satellite architectures that replace a single, extremely capable spacecraft with multiple, cheaper ones are gaining in popularity. Unfortunately, the orbit design process for constellations can be significantly more involved, especiallywhen the relative placement of the individual spacecraft within the constellation is not constrained by mission and/or science objectives. Optimizing a satellite constellation in the presence of multiple, competing objectives is a highly complex problem to which many traditional mathematical optimization methods cannot be applied and few tools exist to help mission designers search for promising candidate mission designs. The Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC) has been created to search for near-optimal constellation design options. GenETOC combines a modified version of the Non-dominated Sorting Genetic Algorithm II (NSGA II) with STK Components libraries (a 3rdparty .NET package created by Analytical Graphics Inc.) to create a framework that enables a mission designer to generate a simulation that models the design problem and obtain a family of potential, near-optimal solutions that can be investigated more in detail.

mission design↗

Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC)

With the rapid growth in the capabilities of smaller satellites, satellite architectures that replace a single, extremely capable spacecraft with multiple, cheaper ones are gaining in popularity. Unfortunately, the orbit design process for constellations can be significantly more involved, especiallywhen the relative placement of the individual spacecraft within the constellation is not constrained by mission and/or science objectives. Optimizing a satellite constellation in the presence of multiple, competing objectives is a highly complex problem to which many traditional mathematical optimization methods cannot be applied and few tools exist to help mission designers search for promising candidate mission designs. The Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC) has been created to search for near-optimal constellation design options. GenETOC combines a modified version of the Non-dominated Sorting Genetic Algorithm II (NSGA II) with STK Components libraries (a 3rdparty .NET package created by Analytical Graphics Inc.) to create a framework that enables a mission designer to generate a simulation that models the design problem and obtain a family of potential, near-optimal solutions that can be investigated more in detail. GenETOC was developed in C# using the .NET framework with Windows Presentation Foundation (WPF) serving as the framework from which to create the graphical user interface (GUI). GenETOC user inputs can be categorized into three major data components: definition of the problem (areas of interest, satellite decision parameters, and sensor configurations), definition of performance objectives, and specification of the genetic algorithm (GA) parameters. In the problem definition component, the user is prompted to define the areas of interest against which the performance metrics will be computed, define the sensor parameters and attach them to specific spacecraft, select which satellite orbital parameters will be added to the decision space of the GA, and specify the range of desired values for each optimization parameter. For performance objectives, the user is presented with a list of available coverage and revisit performance based calculation options from which two metrics are chosen to serve as the objective functions that the GA will use to evaluate solutions during the optimization process. Finally, the definition of the GA parameters provides user control over the number of generations (number of optimization iterations), the population size (number of candidate constellations created in each generation), and the adaptive mutation and crossover threshold values (control parameters for how frequently each process occurs during the optimization). GenETOC has been extensively tested to verify the individual components of the optimization process. The GA has been tested against a suite of GA test problems to confirm convergence to the known two and three-dimensional Pareto fronts. The coverage and revisit performance metrics obtained in GenETOC are compared with STK desktop scenarios, confirming the constellations are being appropriately modeled within GenETOC simulations. A walkthrough of a simple, example problem is provided to illustrate the workings of GenETOC and to demonstrate the output available to the mission designer.

mission design↗

Using the Stix finite element RF code to investigate operation optimization of the ICRF antenna on Alcator C-Mod

Abstract As the Ion Cyclotron Radio Frequency range (ICRF) heating becomes more favorable in fusion devices, the urgency of predicting and mitigating impurity generation that arises from it becomes more pressing. In the ICRF regime, rectified Radio Frequency (RF) sheaths are known to form at antenna and material edges that influence negative effects like sputtering and a decrease in heating efficiency. Methods to mitigate the formation of these RF sheaths through RF image currents cancellation have been experimentally studied. A power-phasing scan done on Alcator C-Mod in which the amount of power on the two inner straps ( P in ) versus the total 4 straps ( P tot ) was varied showed a minimization of enhanced potentials between P in / P tot ∼ 0.7–0.9 while impurities were minimized for P in / P tot ∼ 0.5–0.8. New capabilities in the realm of representing the RF sheath numerically now allow for these experiments to be simulated. Given the size of the sheath relative to the scale of the device, it can be approximated as a Boundary Condition (BC). A new parallelized cold-plasma wave equation solver called Stix implements a non-linear sheath impedance model BC formulated by Myra et al (2015 Phys. Plasmas 22 062507) through the method of finite elements using the MFEM library [ http://mfem.org ]. It is seen that Stix shows qualitative agreement with the measured C-Mod enhanced potentials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ARKODE: A Flexible IVP Solver Infrastructure for One-step Methods

We describe the ARKODE library of one-step time integration methods for ordinary differential equation (ODE) initial-value problems (IVPs). In addition to providing standard explicit and diagonally implicit Runge–Kutta methods, ARKODE supports one-step methods designed to treat additive splittings of the IVP, including implicit-explicit (ImEx) additive Runge–Kutta methods and multirate infinitesimal (MRI) methods. We present the role of ARKODE within the SUNDIALS suite of time integration and nonlinear solver libraries, the core ARKODE infrastructure for utilities common to large classes of one-step methods, as well as its use of “time stepper” modules enabling easy incorporation of novel algorithms into the library. Numerical results show example problems of increasing complexity, highlighting the algorithmic flexibility afforded through this infrastructure, and include a larger multiphysics application leveraging multiple algorithmic features from ARKODE and SUNDIALS.

97 MATHEMATICS AND COMPUTING↗

The deal.II library, Version 9.6

Here, this paper provides an overview of the new features of the finite element library deal.II, version 9.6.

97 MATHEMATICS AND COMPUTING↗

Scalable Interpolation on GPUs for Thermal Fluids Applications

The need for efficient interpolation arises in many use cases for spectral element simulations. Towards this end, we present a fast and robust GPU-enable interpolation utility for NekRS, a spectral-element, Navier-Stokes solver. This utility is based on the findpts and findpts eval routines from the gslib library. To demonstrate the functionality, we added support for particle tracking. The GPU implementation of the interpolation allows for tracking 100 times more particles for the same computational cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

AMPX and ENDF/B-VIII.1 Thermal Scattering Library [Slides]

This presentation provides an enlightening discussion of AMPX and ENDF/B-VIII.1. The talk begins with general ENDF issues encountered. Then narrows down into Issues particular to thermal scattering library. Such as the need for clear communication of the intended use for the file and the question of “Which graphite should I use in model?”. The presentation then looks at TSL files with many Bragg peaks are driving a change in SCALE CE library format and transport codes. This lecture concludes with a look at usage of thermal kernels with sharp peaks with the issues encountered using ENDF/B-VIII.0 data and resolved.

97 MATHEMATICS AND COMPUTING↗

geoPFA: A Python-Based Open-Source Software for 3D Geothermal PFA

This work presents a novel Python-based framework, geoPFA, for conducting 3D play fairway analysis (PFA) tailored to superhot geothermal systems. The workflow has been applied to the Nesjavellir field in Iceland, a candidate site for the third Iceland Deep Drilling Project's superhot production scenarios. This application demonstrates the value of modular, transparent, and extensible workflows for integrating geological, geophysical, and simulation-derived datasets in high-enthalpy environments. Preliminary results indicate favorable zones consistent with known hydrothermal activity. The geoPFA library will soon be publicly available, offering a scalable and reproducible approach to geothermal exploration across varied geological contexts.

15 GEOTHERMAL ENERGY↗

Virtual Engineering (VE) (vebio)

The Virtual Engineering (VE, vebio) project provides a set of Python modules to enable users to connect mathematical models of unit operations to predict outcomes for an entire chemical process. This VE approach is currently being developed to support the beginning-to-end simulation of the low-temperature conversion of lignocellulosic biomass to a fuel precursor, but the underlying communication functions can be readily extended to connect models from other domains. The models and features currently included in the VE library include a models/simulations for pretreatment, enzymatic hydrolysis, and aerobic bioreaction.

Young, Ethan↗

Optimizing the hypre solver for manycore and GPU architectures

The solution of large-scale combustion problems with codes such as Uintah on modern computer architectures requires the use of multithreading and GPUs to achieve performance. Uintah uses a low-Mach number approximation that requires iteratively solving a large system of linear equations. The Hypre iterative solver has solved such systems in a scalable way for Uintah, but the use of OpenMP with Hypre leads to at least slowdown due to OpenMP overheads. The proposed solution uses the MPI Endpoints within Hypre, where each team of threads acts as a different MPI rank. This approach minimizes OpenMP synchronization overhead and performs as fast or (up to 1.44) faster than Hypre's MPI-only version, and allows the rest of Uintah to be optimized using OpenMP. The profiling of the GPU version of Hypre shows the bottleneck to be the launch overhead of thousands of micro-kernels. The GPU performance was improved by fusing these micro-kernels and was further optimized by using Cuda-aware MPI, resulting in an overall speedup of 1.16—1.44 compared to the baseline GPU implementation. The above optimization strategies were published in the International Conference on Computational Science 2020 [1]. This work extends the previously published research by carrying out the second phase of communication-centered optimizations in Hypre to improve its scalability on large-scale supercomputers. Additionally, this includes an efficient non-blocking inter-thread communication scheme, communication-reducing patch assignment, and expression of logical communication parallelism to a new version of the MPICH library that utilizes the underlying network parallelism [2]. The above optimizations avoid communication bottlenecks previously observed during strong scaling and improve performance by up to 2 on 256 nodes of Intel Knight's Landing processor.

97 MATHEMATICS AND COMPUTING↗

Fast-Spectrum Critical Assemblies with a Pb-HEU Core Surrounded by a Copper Reflector

The Department of Energy invests tens of millions of dollars each year to develop the next generation of nuclear engineering modeling & simulation (M&S) tools. These M&S tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers become more powerful, we are able to enhance resolution in our calculations. This improved resolution is taking us to a point where the limitations of simulation capability are in the quality of data, including our ability to quantify the uncertainty and sensitivity of the data. In order to accurately model systems of interest, the industry must improve key nuclear data measurements and our confidence of how well we understand the data. Thus, M&S tools need evaluated and quality-assured experimental data for validation purposes. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles benchmark experiment data in a handbook that can be used by criticality safety engineers to validate computer codes and cross-section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. Figure 1 organizes all the benchmark evaluations that have been performed by the isotope of interest, in this case Pb, and the neutron energy within the system. Compared to other isotopes of interest for nuclear applications, there are few benchmark evaluations for Pb systems. This has caused the latest nuclear cross-section libraries to over/underestimate changes in the neutron population compared to experimental results. Therefore, this evaluation fills an important knowledge gap in benchmark evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FY20 ASC IC L2 Milestone 7180: Performance Portability of SIERRA Mechanics Applications to ATS-1 and ATS-2. Executive Summary

The overall goal of this work was to accelerate simulations supporting the nuclear deterrence (ND) mission through improved performance of key algorithms in the ASC IC Sierra multi-physics application suite. This work focused on porting and optimizing algorithms for the graphics processing units (GPU) on the second ASC advanced technology system (ATS-2), while maintaining or improving performance on commodity technology systems (CTS) and ATS-1. Furthermore, these algorithmic developments used the ASC developed Kokkos performance portability abstraction library to maintain high performance across platforms using identical code, and enable sustainable reduced-cost migration and performance optimization to emerging hardware.

97 MATHEMATICS AND COMPUTING↗

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗

Uranium Carbide and Uranium-Metal Thermal Scattering Law Evaluations and Cross Sections [Slides]

New Uranium Carbide and Uranium Metal evaluations have been developed using the FLASSH platform. Ab initio LD/MD models converged electronic, magnetic, and dynamical properties and demonstrate good agreement with experimental data. Thermal scattering cross sections generate inelastic and elastic thermal neutron scattering libraries in FLASSH . New TSL evaluations occurred in the production of ENDF File 7 data for Uranium Carbide and Uranium Metal submitted to NNDC for ENDF/B-VIII.1 release.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗