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DOE OSTI2022

Enabling Extended-Term Simulation of Power Systems with High PV Penetration. Final Report

This is the final Technical Report for DOE-SETO Project Award # DE-EE0036461. The goal of this project is to advance the understanding of the grid impact of high penetration of photovoltaic (PV) generation by developing novel numerical methods to solve the differential algebraic equations (DAEs) that define power systems. This will overcome the limitations of current software packages – namely that they only consider fast dynamics over brief time periods. The work presented in this final project report covers results over the entire period of the project. This includes results on model development, code development for the PST repository, datasets in the PST repository, algorithm development and results from variable time-step simulations, development and results from multirate simulations, and sensitivity analysis of key parameter in variable time-step methods. In addition, this report discusses project outreach activities to stakeholders, and a summary of project products. Also covered in this final report is the writing of two conference papers (one of which has already been accepted) and a journal paper. In addition, the updating of two inverter models (both grid forming and grid following) to be compatible with the latest version of PST software is discussed.

14 SOLAR ENERGY↗

NASA NTRS1990

An automatic gore panel mapping system

The Automatic Gore Mapping System is being developed to reduce the time and labor costs associated with manufacturing the External Tank. The present chem-milling processes and procedures are discussed. The down loading of the simulation of the system has to be performed to verify that the simulation package will translate the simulation code into robot code. Also a simulation of this system has to be programmed for a gantry robot instead of the articulating robot that is presently in the system. It was discovered using the simulation package that the articulation robot cannot reach all the point on some of the panels, therefore when the system is ready for production, a gantry robot will be used. Also a hydrosensor system is being developed to replace the point-to-point contact probe. The hydrosensor will allow the robot to perform a non-contact continuous scan of the panel. It will also provide a faster scan of the panel because it will eliminate the in-and-out movement required for the present end effector. The system software is currently being modified so that the hydrosensor will work with the system. The hydrosensor consists of a Krautkramer-Branson transducer encased in a plexiglass nozzle. The water stream pumped through the nozzle is the couplant for the probe. Also, software is being written so that the robot will have the ability to draw the contour lines on the panel displaying the out-of-tolerance regions. Presently the contour lines can only be displayed on the computer screens. Research is also being performed on improving and automating the method of scribing the panels. Presently the panels are manually scribed with a sharp knife. The use of a low power laser or water jet is being studied as a method of scribing the panels. The contour drawing pen will be replaced with scribing tool and the robot will then move along the contour lines. With these developments the Automatic Gore Mapping Systems will provide a reduction in time and labor costs associated with manufacturing the External Task. The system also has the potential of inspecting other manufactured parts.

Shiver, John D.↗

NASA NTRS1992

Charge generation by heavy ions in power MOSFETs, burnout space predictions, and dynamic SEB sensitivity

The transport, energy loss, and charge production of heavy ions in the sensitive regions of IRF 150 power MOSFETs are described. The dependence and variation of transport parameters with ion type and energy relative to the requirements for single event burnout in this part type are discussed. Test data taken with this power MOSFET are used together with analyses by means of a computer code of the ion energy loss and charge production in the device to establish criteria for burnout and parameters for space predictions. These parameters are then used in an application to predict burnout rates in a geostationary orbit for power converters operating in a dynamic mode. Comparisons of rates for different geometries in simulating SEU (single event upset) sensitive volumes are presented.

Stassinopoulos, E. G.↗

NASA NTRS2004

Discharge Chamber Primary Electron Modeling Activities in Three-Dimensions

Designing discharge chambers for ion thrusters involves many geometric configuration decisions. Various decisions will impact discharge chamber performance with respect to propellant utilization efficiency, ion production costs, and grid lifetime. These hardware design decisions can benefit from the assistance of computational modeling. Computational modeling for discharge chambers has been limited to two-dimensional codes that leveraged symmetry for interpretation into three-dimensional analysis. This paper presents model development activities towards a three-dimensional discharge chamber simulation to aid discharge chamber design decisions. Specifically, of the many geometric configuration decisions toward attainment of a worthy discharge chamber, this paper focuses on addressing magnetic circuit considerations with a three-dimensional discharge chamber simulation as a tool. With this tool, candidate discharge chamber magnetic circuit designs can be analyzed computationally to gain insight into factors that may influence discharge chamber performance such as: primary electron loss width in magnetic cusps, cathode tip position with respect to the low magnetic field volume, definition of a low magnetic field region, and maintenance of a low magnetic field region across the grid span. Corroborating experimental data will be obtained from mockup hardware tests. Initially, simulated candidate magnetic circuit designs will resemble previous successful thruster designs. To provide opportunity to improve beyond previous performance benchmarks, off-design modifications will be simulated and experimentally tested.

Steuber, Thomas J.↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level (4,850 feet below ground surface) in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, produced fluid temperatures with chilled water injections, pressure limits on fluid circulation to avoid fracture growth, temperature environment surrounding the 4850 Level drift, and fracture propagation within a stress field altered by drift excavation, ventilation cooling, and dewatering.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, and produced fluid temperatures with chilled water injections, and pressure limits on fluid circulation to avoid fracture growth.

Numerical Simulation, EGS Collab, EGS, Sanford Und↗

DOE OSTI2020

Simulations of short-term exposure to NO 2 and PM 2.5 to inform capture efficiency standards

The California building code requires all new or renovated residential dwelling units to have kitchen exhaust ventilation to manage air pollutants and moisture generated during cooking. Current performance requirements are specified as a minimum airflow and maximum sound level. This report presents an analysis to support consideration of adding a capture efficiency requirement to the code. The analysis uses a physics-based simulation model to calculate air pollutant concentrations in homes that result from cooking and the inflow of outdoor air, mediated by loss and removal process including deposition, dwelling unit ventilation, and the use of a range hood with varying levels of capture efficiency. Calculated pollutant concentrations are compared to relevant, health-based guidelines. The analysis considers the highest 1-hour concentration of nitrogen dioxide (NO 2 ), which is a product of natural gas combustion and the highest 24-hour concentrations of fine particulate matter (PM 2.5 ) which is emitted in substantial quantities from frying, broiling and grilling among other cooking activities. For NO 2 , the analysis considers cooking of a dinner for 3-4 persons consisting of pasta, meat sauce, a par-boiled vegetable, and baked garlic bread. For PM 2.5 , the analysis considers a day in which breakfast emitted particles at the 80th percentile and lunch and dinner entailed particle emissions at the 50th percentile of cooking emission events reported in the literature. Model simulations were performed to determine the level of range hood capture efficiency that will allow these cooking scenarios to occur in the vast majority (>99%) of new homes being built in California while maintaining pollutant concentrations below the health-based guidelines, if the range hood is used throughout cooking. All homes were assumed to have dwelling unit ventilation at the rate required in the building code. Simulation model input parameters were specified using a Monte Carlo approach to represent a range of housing characteristics, outdoor conditions, and indoor pollutant dynamics. Simulation results suggest that requiring a minimum capture efficiency of at least 70% is needed to avoid unacceptably high NO 2 (1-h average concentration of 100 ppb or higher) and at least 60% to avoid unacceptably high PM 2.5 (24-h average of 25 μg/m³ or higher). These results were driven by multi-family homes, which have a smaller volume of air to dilute any pollutants not captured and removed at the cooking area, resulting in higher concentrations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

SciDAC Center for Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas

During the first year of the SciDAC gyrokinetic particle simulation (GPS) project, the GPS team (Zhihong Lin, Liu Chen, Yasutaro Nishimura, and Igor Holod) at the University of California, Irvine (UCI) studied the tokamak electron transport driven by electron temperature gradient (ETG) turbulence, and by trapped electron mode (TEM) turbulence and ion temperature gradient (ITG) turbulence with kinetic electron effects, extended our studies of ITG turbulence spreading to core-edge coupling. We have developed and optimized an elliptic solver using finite element method (FEM), which enables the implementation of advanced kinetic electron models (split-weight scheme and hybrid model) in the SciDAC GPS production code GTC. The GTC code has been ported and optimized on both scalar and vector parallel computer architectures, and is being transformed into objected-oriented style to facilitate collaborative code development. During this period, the UCI team members presented 11 invited talks at major national and international conferences, published 22 papers in peer-reviewed journals and 10 papers in conference proceedings. The UCI hosted the annual SciDAC Workshop on Plasma Turbulence sponsored by the GPS Center, 2005-2007. The workshop was attended by about fifties US and foreign researchers and financially sponsored several gradual students from MIT, Princeton University, Germany, Switzerland, and Finland. A new SciDAC postdoc, Igor Holod, has arrived at UCI to initiate global particle simulation of magnetohydrodynamics turbulence driven by energetic particle modes. The PI, Z. Lin, has been promoted to the Associate Professor with tenure at UCI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation

MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysis and separated representations. Underpinning the numerical capabilities is a powerful petascale parallel programming environment that aims to increase both programmer productivity and code scalability. This paper describes the features and capabilities of MADNESS and briefly discusses some current applications in chemistry and several areas of physics.

00A72↗

DOE OSTI2017

Quantum Virtual Machine (QVM)

There is a lack of state-of-the-art HPC simulation tools for simulating general quantum computing. Furthermore, there are no real software tools that integrate current quantum computers into existing classical HPC workflows. This product, the Quantum Virtual Machine (QVM), solves this problem by providing an extensible framework for pluggable virtual, or physical, quantum processing units (QPUs). It enables the execution of low level quantum assembly codes and returns the results of such executions.

McCaskey, AlexanderJ.↗

DOE OSTI2018

Management of Digital Equipment in Preproduction by Means of Uniform Numeric Control Language

The requirements on preproduction and the control software for various digital machining systems (numerically controlled machine tools, robot manipulators, additive manufacturing equipment) in flexible production are considered. By analysis of existing programming languages for digital equipment, UNCL (Uniform Numeric Control Language) has been developed for standard representation of control commands. The use of UNCL in verifying program operation on a machining simulator is considered. Software for the translation of control programs (specified in CLDATA formats and in ISO code) to the invariant format of the universal language is described. The postprocessing of control software from the universal language into programs in commonly used digital control systems is also considered.

42 ENGINEERING↗

NASA NTRS2011

Enhancements to TetrUSS for NASA Constellation Program

The NASA Constellation program is utilizing Computational Fluid Dynamics (CFD) predictions for generating aerodynamic databases and design loads for the Ares I, Ares I-X, and Ares V launch vehicles and for aerodynamic databases for the Orion crew exploration vehicle and its launch abort system configuration. This effort presents several challenges to applied aerodynamicists due to complex geometries and flow physics, as well as from the juxtaposition of short schedule program requirements with high fidelity CFD simulations. NASA TetrUSS codes (GridTool/VGRID/USM3D) have been making extensive contributions in this effort. This paper will provide an overview of several enhancements made to the various elements of TetrUSS suite of codes. Representative TetrUSS solutions for selected Constellation program elements will be shown. Best practices guidelines and scripting developed for generating TetrUSS solutions in a production environment will also be described.

Pandya, Mohagna J.↗

NASA NTRSDate not supplied

Laser Absorption Spectroscopy Measurements of Post-Shock Non-Equilibrium Species in the NASA Ames Electric Arc Shock Tube

The NASA Ames Electric Arc Shock Tube (EAST) is a unique facility capable of generating high enthalpy, shock-heated impulse gas flows representative of the kinetic and radiative conditions encountered by atmospheric entry vehicles. The facility maintains a successful history with emission spectroscopy, providing measurements of absolute radiance upon which various validation studies are anchored. The central objective of this work is to develop a comprehensive tunable diode laser absorption spectroscopy (TDLAS) sensing capability to provide complementary experimental insights to existing emission techniques. More specifically, a fast-scanning TDLAS-based diagnostic targeting the cyano radical (CN) in the near-infrared(near-IR) near 926.6 nm is employed in mixtures of 2.2% CH4in N2by mole for a sweep of incident shock velocities ranging 3.0-5.5 km/s and fill pressures 0.3-1.15 Torr. Laser scan rates up to 500 kHz probe multiple absorption features to provide quantitative measurements of temperature and species number density profiles behind the incident shock. In all instances, the temperature trend is consistent between emission-inferred and TDLAS-inferred measurements. However, at the lower-velocity conditions, there is an appreciable offset between the Data Parallel Line Relaxation Code (DPLR) simulation and experimental measurements. A similar behavior is observed in number density profiles, with emission measurements providing inferences of the CN(B) and CN(A) state, while TDLAS measurements provide an additional inference of the CN(X) state. In the fast-scanned experiments, measurement inferred number densities suggest a much faster production of CN at early times than captured by the model. This discrepancy motivates ongoing, additional spectroscopic and kinetics CN experiments to resolve the accuracy of modeling assumptions.

Efaine Chang↗

DOE OSTI2016

Quantum Virtual Machine (QVM)

McCaskey, Alexander J.↗

DOE OSTI2023

DRiFT - Release 1.1.1: Organic Scintillators

DRiFT (a Detector Response Function Toolkit) is LANL-developed software that postprocesses output from the extensively validated radiation transport code, MCNP, and generates realistic nuclear instrumentation response. DRiFT is designed to be flexible, enabling users to specify detector type and many experimental settings, as well as accommodating the addition of their own desired features. Although DRiFT development has included scintillator, gas, and semiconductor features, the focus of this release is on organic scintillator and associated capabilities. Organic scintillators are widely used in the areas of nuclear safeguards and nuclear non-proliferation efforts. DRiFT has several diagnostic and detector physics features relevant to detailed scintillator simulations including: tracking source particle information, scintillation light production, the effects of PMT quantum efficiency and gain, and digitizer settings. Users can select responses from many scintillator and PMT types supported natively by DRiFT, or add their own by following the instructions in this document. We acknowledge that DRiFT is under active development, bug reports and general questions and comments should be directed to Madison Andrews, madison@lanl.gov. This manual is divided into four parts: I) An overview of DRiFT, including how to obtain and install the executable, II) A description of the detector physics related to scintillators available, III) a description of more general DRiFT features the user may find useful, and IV) a description of the test suite and examples made available with the code release.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Benchmarking MELCOR's NAC Package to ABCOVE Tests AB5 and AB6

This report presents analyses of the AB5 and AB6 ABCOVE sodium spray fire experiments with the MELCOR code. This code simulates the progression of accident events for analysis and auditing purposes of nuclear facilities during accident conditions. Historically, the ABCOVE experiments have contributed to the validation of aerosol physics and related phenomena. Given advancements in sodium-cooled reactor designs, characterization of the sodium spray combustion may further the review and validation of newly incorporated sodium properties and physics packages, namely, the sodium equations of state (EOS) and the sodium combustion (NAC) package within MELCOR. By analyzing the AB5 and AB6 experiments with and without the NAC package, sodium specificity for spray combustion and aerosol formation as well as speciation of the combustion products are reviewed with the new packages. This effort provides code users with a demonstration of the current code capabilities. This report provides the current best practices for the NAC package as well as a discussion of any issues observed while performing the presented analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Comparison of heavy-ion transport simulations: Collision integral with pions and Δ resonances in a box

Simulations by transport codes are indispensable for extracting valuable physical information from heavy-ion collisions. Pion observables such as the π - /π + yield ratio are expected to be sensitive to the symmetry energy at high densities. To evaluate, understand, and reduce the uncertainties in transport-code results originating from different approximations in handling the production of Δ resonances and pions. We compare ten transport codes under controlled conditions for a system confined in a box, with periodic boundary conditions, and initialized with nucleons at saturation density and at a temperature of 60 MeV. The reactions NN↔NΔ and Δ↔Nπ are implemented, but the Pauli blocking and the mean-field potential are deactivated in the present comparison. Thus, these are cascade calculations including pions and Δ resonances. Results are compared to those from the two reference cases of a chemically equilibrated ideal gas mixture and of the rate equation. For the numbers of Δ and π, deviations from the reference values are observed in many codes, and they depend significantly on the size of the time step. These deviations are tied to different ways in ordering the sequence of reactions, such as collisions and decays, that take place in the same time step. Better agreements with the reference values are seen in the reaction rates and the number ratios among the isospin species of Δ and π. Both the reaction rates and the number ratios are, however, affected by the correlations between particle positions, which are absent in the Boltzmann equation, but are induced by the way particle scatterings are treated in many of the transport calculations. The uncertainty in the transport-code predictions of the π - /π + ratio, after letting the existing Δ resonances decay, is found to be within a few percent for the system initialized at n/p=1.5. In conclusion, the uncertainty in the final π - /π + ratio in this simplified case of particles in a box is sufficiently small so that it does not strongly impact constraining the high-density symmetry energy from heavy-ion collisions. Most of the sources of uncertainties have been understood, and individual codes may be further improved in future applications. This investigation will be extended in the future to heavy-ion collisions to ensure the problems identified here remain under control.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

NIMROD Development AND Applications for Advanced Simulations of Tokamak Plasmas

Operation in a regime of zero off-normal events is an important goal for ITER, and after that DEMO. Edge Localized Modes (ELMs) are off-normal events of particular concern due to their ubiquity in the highest performing discharges and their localized energy deposition on vessel walls. To avoid damage from these events, ITER has invested in costly coils in addition to exploring other mitigation techniques. A more attractive approach is to find an operational regime that has the requisite high performance while avoiding ELMs entirely. DIII-D experimentalists have found such a regime, wherein the ELMs are prevented from occurring by the existence of a saturated instability. Although this regime is attractive, how this saturated instability occurs and how to extrapolate to ITER is not well understood. NIMROD is well suited for studying this mode, and significant progress has already been made in modeling the equilibria that give rise to this instability. Another off-normal event of concern to ITER is the sawtooth mode in the presence of energetic particles. These modes are ubiquitous in near-steady-state tokamaks, and their behavior in the presence of the energetic particles that will be found in burning plasma experiments is poorly understood. The internal kink is notorious for requiring all extended MHD effects (two-fluid, closures, vacuum regime, energetic particles) in a production level simulation. NIMROD has matured to the point where it can now address this problem, though significant expertise in the MHD physics, numerical algorithms, and large-scale computation will be required. The expertise of Tech-X in attacking the most difficult NIMROD problems has already resulted in significant improvements to the NIMROD code that benefit the larger fusion community, and we expect further improvements as we attack these challenging problems. To maximize the community benefits, Tech-X provided community outreach and code management efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗