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NASA NTRS1995

Sensitivity Analysis and Optimization of Enclosure Radiation with Applications to Crystal Growth

In engineering, simulation software is often used as a convenient means for carrying out experiments to evaluate physical systems. The benefit of using simulations as 'numerical' experiments is that the experimental conditions can be easily modified and repeated at much lower cost than the comparable physical experiment. The goal of these experiments is to 'improve' the process or result of the experiment. In most cases, the computational experiments employ the same trial and error approach as their physical counterparts. When using this approach for complex systems, the cause and effect relationship of the system may never be fully understood and efficient strategies for improvement never utilized. However, it is possible when running simulations to accurately and efficiently determine the sensitivity of the system results with respect to simulation to accurately and efficiently determine the sensitivity of the system results with respect to simulation parameters (e.g., initial conditions, boundary conditions, and material properties) by manipulating the underlying computations. This results in a better understanding of the system dynamics and gives us efficient means to improve processing conditions. We begin by discussing the steps involved in performing simulations. Then we consider how sensitivity information about simulation results can be obtained and ways this information may be used to improve the process or result of the experiment. Next, we discuss optimization and the efficient algorithms which use sensitivity information. We draw on all this information to propose a generalized approach for integrating simulation and optimization, with an emphasis on software programming issues. After discussing our approach to simulation and optimization we consider an application involving crystal growth. This application is interesting because it includes radiative heat transfer. We discuss the computation of radiative new factors and the impact this mode of heat transfer has on our approach. Finally, we will demonstrate the results of our optimization.

Tiller, Michael M.↗

DOE OSTI2019

Evaluating the Impact of Price-Responsive Load on Power Systems Using Integrated T&D Simulation

This paper explores the differences between simulating price-responsive load (PRL) interactions with power systems using integrated transmission and distribution (T&D) models and transmission-only (T-only) models. This analysis uses the Integrated Grid Modeling System (IGMS) software to capture 'ISO-to-appliance' simulations using a synthetic T&D model built on the PJM 5-Bus transmission network with multiple full-scale taxonomy feeders that include physics-based models of thousands of customers and PRLs. The results show important differences in the impacts of PRLs between integrated T&D and T-only models. Experiments with the synthetic integrated T&D dataset demonstrated that integrated T&D simulation revealed notably larger differences between the PRL and no-PRL cases for load, and prices compared to T-only simulation. Similarly, differences are observed between the price response of individual buildings and distribution feeders and the corresponding transmission bus in the integrated T&D simulations, which are difficult to capture in traditional T-only simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Transport and Dynamics in Toroidal Fusion Systems

The study entitled, "Transport and Dynamics in Toroidal Fusion Systems," (TDTFS) applied analytical theory and numerical computation to investigate topics of importance to confining plasma, the fourth state of matter, with magnetic fields. A central focus of the work is how non-thermal components of the ion particle distribution affect the "sawtooth" collective oscillation in the core of the tokamak magnetic configuration. Previous experimental and analytical research had shown and described how the oscillation frequency decreases and amplitude increases, leading to "monster" or "giant" sawteeth, when the non-thermal component is increased by injecting particle beams or by exciting ions with imposed electromagnetic waves. The TDTFS study applied numerical computation to self-consistently simulate the interaction between macroscopic collective plasma dynamics and the non-thermal particles. The modeling used the NIMROD code [Sovinec, Glasser, Gianakon, et al., J. Comput. Phys. 195, 355 (2004)] with the energetic component represented by simulation particles [Kim, Parker, Sovinec, and the NIMROD Team, Comput. Phys. Commun. 164, 448 (2004)]. The computations found decreasing growth rates for the instability that drives the oscillations, but they were ultimately limited from achieving experimentally relevant parameters due to computational practicalities. Nonetheless, this effort provided valuable lessons for integrated simulation of macroscopic plasma dynamics. It also motivated an investigation of the applicability of fluid-based modeling to the ion temperature gradient instability, leading to the journal publication [Schnack, Cheng, Barnes, and Parker, Phys. Plasmas 20, 062106 (2013)]. Apart from the tokamak-specific topics, the TDTFS study also addressed topics in the basic physics of magnetized plasma and in the dynamics of the reversed-field pinch (RFP) configuration. The basic physics work contributed to a study of two-fluid effects on interchange dynamics, where "two-fluid" refers to modeling independent dynamics of electron and ion species without full kinetic effects. In collaboration with scientist Ping Zhu, who received separate support, it was found that the rule-of-thumb criteria on stabilizing interchange has caveats that depend on the plasma density and temperature profiles. This work was published in [Zhu, Schnack, Ebrahimi, et al., Phys. Rev. Lett. 101, 085005 (2008)]. An investigation of general nonlinear relaxation with fluid models was partially supported by the TDTFS study and led to the publication [Khalzov, Ebrahimi, Schnack, and Mirnov, Phys. Plasmas 19, 012111 (2012)]. Work specific to the RFP included an investigation of interchange at large plasma pressure and support for applications [for example, Scheffel, Schnack, and Mirza, Nucl. Fusion 53, 113007 (2013)] of the DEBS code [Schnack, Barnes, Mikic, Harned, and Caramana, J. Comput. Phys. 70, 330 (1987)]. Finally, the principal investigator over most of the award period, Dalton Schnack, supervised a numerical study of modeling magnetic island suppression [Jenkins, Kruger, Hegna, Schnack, and Sovinec, Phys. Plasmas 17, 12502 (2010)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

A dynamic closure modeling framework for model order reduction of geophysical flows

Here in this paper, a dynamic closure modeling approach has been derived to stabilize the projection-based reduced order models in the long-term evolution of forced-dissipative dynamical systems. To simplify our derivation without losing generalizability, the proposed reduced order modeling (ROM) framework is first constructed by Galerkin projection of the single-layer quasigeostrophic equation, a standard prototype of large-scale general circulation models, onto a set of dominant proper orthogonal decomposition modes. We then propose an eddy viscosity closure approach to stabilize the resulting surrogate model considering the analogy between large eddy simulation (LES) and truncated modal projection. Our efforts, in particular, include the translation of the dynamic subgrid-scale model into our ROM setting by defining a test truncation similar to the test filtering in LES. Finally, the a posteriori analysis shows that our approach is remarkably accurate, allowing us to integrate simulations over long time intervals at a nominally small computational overhead.

42 ENGINEERING↗

DOE OSTI2021

RAPID

Parallel computer code for the simulator for dynamics of power systems which has the capability to initiate the system and create different faults for the dynamic analysis. The code is based on time-parallel method (Parareal) with Adaptive Method Reduction (AMR). The coarse solvers for the Parareal algorithm include several Semi Analytical Solution methods. Also, Integrated simulation of coupled transmission and distribution systems can be studied.

Simunovic, Srdjan [Oak Ridge National Lab. (ORNL),↗

NASA NTRS2009

Rover Attitude and Pointing System Simulation Testbed

The MER (Mars Exploration Rover) Attitude and Pointing System Simulation Testbed Environment (RAPSSTER) provides a simulation platform used for the development and test of GNC (guidance, navigation, and control) flight algorithm designs for the Mars rovers, which was specifically tailored to the MERs, but has since been used in the development of rover algorithms for the Mars Science Laboratory (MSL) as well. The software provides an integrated simulation and software testbed environment for the development of Mars rover attitude and pointing flight software. It provides an environment that is able to run the MER GNC flight software directly (as opposed to running an algorithmic model of the MER GNC flight code). This improves simulation fidelity and confidence in the results. Further more, the simulation environment allows the user to single step through its execution, pausing, and restarting at will. The system also provides for the introduction of simulated faults specific to Mars rover environments that cannot be replicated in other testbed platforms, to stress test the GNC flight algorithms under examination. The software provides facilities to do these stress tests in ways that cannot be done in the real-time flight system testbeds, such as time-jumping (both forwards and backwards), and introduction of simulated actuator faults that would be difficult, expensive, and/or destructive to implement in the real-time testbeds. Actual flight-quality codes can be incorporated back into the development-test suite of GNC developers, closing the loop between the GNC developers and the flight software developers. The software provides fully automated scripting, allowing multiple tests to be run with varying parameters, without human supervision.

Vanelli, Charles A.↗

DOE OSTI2016

Phase space effects on fast ion distribution function modeling in tokamaks

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2016

Evolution of Flexible Multibody Dynamics for Simulation Applications Supporting Human Spaceflight

During the course of transition from the Space Shuttle and International Space Station programs to the Orion and Journey to Mars exploration programs, a generic flexible multibody dynamics formulation and associated software implementation has evolved to meet an ever changing set of requirements at the NASA Johnson Space Center (JSC). Challenging problems related to large transitional topologies and robotic free-flyer vehicle capture/ release, contact dynamics, and exploration missions concept evaluation through simulation (e.g., asteroid surface operations) have driven this continued development. Coupled with this need is the requirement to oftentimes support human spaceflight operations in real-time. Moreover, it has been desirable to allow even more rapid prototyping of on-orbit manipulator and spacecraft systems, to support less complex infrastructure software for massively integrated simulations, to yield further computational efficiencies, and to take advantage of recent advances and availability of multi-core computing platforms. Since engineering analysis, procedures development, and crew familiarity/training for human spaceflight is fundamental to JSC's charter, there is also a strong desire to share and reuse models in both the non-realtime and real-time domains, with the goal of retaining as much multibody dynamics fidelity as possible. Three specific enhancements are reviewed here: (1) linked list organization to address large transitional topologies, (2) body level model order reduction, and (3) parallel formulation/implementation. This paper provides a detailed overview of these primary updates to JSC's flexible multibody dynamics algorithms as well as a comparison of numerical results to previous formulations and associated software.

Multibody dynamics↗

DOE OSTI2017

Parameter Calibration of GTN Damage Model and Formability Analysis of 22MnB5 in Hot Forming Process

Hot forming of high strength steel at elevated temperatures is an attractive technology to achieve the lightweight of vehicle body. The mechanical behavior of boron steel 22MnB5 strongly depends on the variation of temperature which makes the process design more difficult. In this paper, the Gurson–Tvergaard–Needleman (GTN) model is used to study the formability of 22MnB5 sheet at different temperatures. Firstly, the rheological behavior of 22MnB5 is analyzed through a series of hot tensile tests at a temperature range of 600-800 °C. Then, a detailed process to calibrate the damage parameters is given based on the response surface methodology and genetic algorithm method. The GTN model together with the damage parameters calibrated is then implemented to simulate the deformation and damage evolution of 22MnB5 in the process of high-temperature Nakazima test. The capability of the GTN model as a suitable tool to evaluate the sheet formability is confirmed by comparing experimental and calculated results. Finally, as a practical application, the forming limit diagram of 22MnB5 at 700 °C is constructed using the Nakazima simulation and Marciniak–Kuczynski (M–K) model, respectively. And the simulation integrated GTN model shows a higher reliability by comparing the predicted results of these two approaches with the experimental ones.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Ares I-X First Stage Separation Loads and Dynamics Reconstruction

The Ares I-X flight test provided NASA with the opportunity to test hardware and gather critical data to ensure the success of future Ares I flights. One of the primary test flight objectives was to evaluate the environment during First Stage separation to better understand the conditions that the J-2X second stage engine will experience at ignition [1]. A secondary objective was to evaluate the effectiveness of the stage separation motors. The Ares I-X flight test vehicle was successfully launched on October 29, 2009, achieving most of its primary and secondary test objectives. Ground based video camera recordings of the separation event appeared to show recontact of the First Stage and the Upper Stage Simulator followed by an unconventional tumbling of the Upper Stage Simulator. Closer inspection of the videos and flight test data showed that recontact did not occur. Also, the motion during staging was as predicted through CFD analysis performed during the Ares I-X development. This paper describes the efforts to reconstruct the vehicle dynamics and loads through the staging event by means of a time integrated simulation developed in TREETOPS, a multi-body dynamics software tool developed at NASA [2]. The simulation was built around vehicle mass and geometry properties at the time of staging and thrust profiles for the first stage solid rocket motor as well as for the booster deceleration motors and booster tumble motors. Aerodynamic forces were determined by models created from a combination of wind tunnel testing and CFD. The initial conditions such as position, velocity, and attitude were obtained from the Best Estimated Trajectory (BET), which is compiled from multiple ground based and vehicle mounted instruments. Dynamic loads were calculated by subtracting the inertial forces from the applied forces. The simulation results were compared to the Best Estimated Trajectory, accelerometer flight data, and to ground based video.

Demory, Lee↗

DOE OSTI2020

A large-scale, agent-based simulation of metropolitan freight movements with passenger and freight market interactions

This study summarizes the first stage in the implementation of an agent-based freight modeling system that has a global representation of agents and detailed modeling of a large-scale transportation network. The model is used to evaluate the transportation and energy impacts of goods movement across urban and national scales. The framework is implemented within POLARIS, a C++-based Planning and Operations Language for Agent-based Regional Integrated Simulation, which consists of an activity-based modeling (ABM) and dynamic traffic assignment (DTA) system that has robust features for passenger travel. This platform provides a tool to model interactions among consumers, producers, and the transportation system. The main objective of this initial implementation is to implement a freight model within POLARIS following an agent-based paradigm with behavioral and simulation methods. This paper presents the initial framework and illustrates the application of the model. Building upon earlier works, a parcel location assignment algorithm for business establishments in the population is documented, along with a method for estimating establishment production and consumption volumes. In addition to population generation, other features of the model include push-pull supply chains, multimodal path choice, choice of transportation logistics node, and dynamic traffic assignment. A module with e-commerce supply and demand was also developed to analyze the effects of e-commerce delivery on last-mile energy use and congestion.

agent-based freight↗

NASA NTRS1988

Status of NASA/Army rotorcraft research and development piloted flight simulation

The status of the major NASA/Army capabilities in piloted rotorcraft flight simulation is reviewed. The requirements for research and development piloted simulation are addressed as well as the capabilities and technologies that are currently available or are being developed by NASA and the Army at Ames. The application of revolutionary advances (in visual scene, electronic cockpits, motion, and modelling of interactive mission environments and/or vehicle systems) to the NASA/Army facilities are also addressed. Particular attention is devoted to the major advances made in integrating these individual capabilities into fully integrated simulation environment that were or are being applied to new rotorcraft mission requirements. The specific simulators discussed are the Vertical Motion Simulator and the Crew Station Research and Development Facility.

Condon, Gregory W.↗

DOE OSTI2014

SciDAC - Center for Plasma Edge Simulation - Project Summary

Final Technical Report: Center for Plasma Edge Simulation (CPES) Principal Investigator: Scott Parker, University of Colorado, Boulder Description/Abstract First-principle simulations of edge pedestal micro-turbulence are performed with the global gyrokinetic turbulence code GEM for both low and high confinement tokamak plasmas. The high confinement plasmas show a larger growth rate, but nonlinearly a lower particle and heat flux. Numerical profiles are obtained from the XGC0 neoclassical code. XGC0/GEM code coupling is implemented under the EFFIS (“End-to-end Framework for Fusion Integrated Simulation”) framework. Investigations are underway to clearly identify the micro-instabilities in the edge pedestal using global and flux-tube gyrokinetic simulation with realistic experimental high confinement profiles. We use both experimental profiles and those obtained using the EFFIS XGC0/GEM coupled code framework. We find there are three types of instabilities at the edge: a low-n, high frequency electron mode, a high-n, low frequency ion mode, and possibly an ion mode like kinetic ballooning mode (KBM). Investigations are under way for the effects of the radial electric field. Finally, we have been investigating how plasmas dominated by ion-temperature gradient (ITG) driven turbulence, how cold Deuterium and Tritium ions near the edge will naturally pinch radially inward towards the core. We call this mechanism “natural fueling.” It is due to the quasi-neutral heat flux dominated nature of the turbulence and still applies when trapped and passing kinetic electron effects are included. To understand this mechanism, examine the situation where the electrons are adiabatic, and there is an ion heat flux. In such a case, lower energy particles move inward and higher energy particles move outward. If a trace amount of cold particles are added, they will move inward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Computational Methods for Multi-Physics Simulation of Melting in Steelmaking

Iron and steel production accounts for approximately 8% of global carbon dioxide (CO) emissions. Pathways to decarbonize include replacing fossil fuels in iron ore reduction and electrifying other steelmaking processes. Iron pellets produced by hydrogen, called Hydrogen Direct Reduced Iron (HDRI), have property differences from those produced using conventional DRI processes. These differences may impact melting in electric arc furnaces (EAF) and other downstream processes. The physical properties of iron pellets vary significantly with temperature during heating, complicating predictions of their behavior. In this project, we seek to develop an integrated simulation, including the fluid flow and convective thermal transport around the pellet particle. We also examine conduction and phase changes within the particle as they impact the melting process. We use adaptive mesh refinement (AMR) to resolve both the changing size of the particle and the complex physics of the interaction between the pellet and the surrounding fluid. We base our simulations on the AMReX-incflo module, which allows large-scale Navier-Stokes simulation while resolving the changing particle size during melting. As we advance our numerical tools, we anticipate an improved understanding of the dynamics of HDRI melting, which will, in turn, accelerate the adoption of low-carbon technologies in the steelmaking industry.

AMReX↗

DOE OSTI2011

Response to ''Comment on 'Scalings for radiation from plasma bubbles''' [Phys. Plasmas 18, 034701 (2011)]

In the preceding Comment, Corde, Stordeur, and Malka claim that the trapping threshold derived in my recent paper is incorrect. Their principal argument is that the elliptical orbits I used are not exact solutions of the equation of motion in the fields of the bubble. The original paper never claimed this--rather I claimed that the use of elliptical orbits was a reasonable approximation, which I based on observations from particle-in-cell simulations. Integration of the equation of motion for analytical expressions for idealized bubble fields (either analytically [I. Kostyukov, E. Nerush, A. Pukhov, and V. Seredov, Phys. Rev. Lett. 103, 175003 (2009)] or numerically [S. Corde, A. Stordeur, and V. Malka, ''Comment on 'Scalings for radiation from plasma bubbles,' '' Phys. Plasmas 18, 034701 (2011)]) produces a trapping threshold wholly inconsistent with experiments and full particle-in-cell (PIC) simulations (e.g., requiring an estimated laser intensity of a{sub 0{approx}}30 for n{sub e{approx}}10{sup 19} cm{sup -3}). The inconsistency in the particle trajectories between PIC and the numeric model used by the comment authors arises due to the fact that the analytical fields are only approximately true for ''real'' plasma bubbles, and lack certain key features of the field structure. Two possible methods of resolution to this inconsistency are either to find ever more complicated but accurate models for the bubble fields or to find approximate solutions to the equations of motion that capture the essential features of the self-consistent electron trajectories. The latter, heuristic approach used in my recent paper produced a threshold that is better matched to experimental observations. In this reply, I will also revisit the problem and examine the relationship between bubble radius and electron momentum at the point of trapping without reference to a particular trajectory.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Demonstration of a quantum-classical coprocessing protocol for simulating nuclear reactions

Quantum computers hold great promise for exact simulations of nuclear dynamical processes (e.g., scattering and reactions), which are paramount to the study of nuclear matter at the limit of stability and in the formation of chemical elements in stars. However, quantum simulations of the unitary (real) time dynamics of fermionic many-body systems require a currently prohibitive number of reliable and long-lived qubits. Here we propose a co-processing algorithm for the simulation of real-time dynamics in which the time evolution of the spatial coordinates is carried out on a classical processor, while the evolution of the spin degrees of freedom is carried out on quantum hardware. We demonstrate this hybrid scheme with the simulation of two neutrons scattering at the Lawrence Berkeley National Laboratory's Advanced Quantum Testbed. After implementing error mitigation strategies to improve the accuracy of the algorithm in addition to a combination of circuit compression techniques and tomography as methods to elucidate the onset of decoherence, our results validate the principle of the proposed co-processing scheme. A generalization of this present scheme will open the way for (real-time) path integral simulations of nuclear scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2001

Evaluation of Stratospheric Transport in New 3D Models Using the Global Modeling Initiative Grading Criteria

The Global Modeling Initiative (GMI) Team developed objective criteria for model evaluation in order to identify the best representation of the stratosphere. This work created a method to quantitatively and objectively discriminate between different models. In the original GMI study, 3 different meteorological data sets were used to run an offline chemistry and transport model (CTM). Observationally-based grading criteria were derived and applied to these simulations and various aspects of stratospheric transport were evaluated; grades were assigned. Here we report on the application of the GMI evaluation criteria to CTM simulations integrated with a new assimilated wind data set and a new general circulation model (GCM) wind data set. The Finite Volume Community Climate Model (FV-CCM) is a new GCM developed at Goddard which uses the NCAR CCM physics and the Lin and Rood advection scheme. The FV-Data Assimilation System (FV-DAS) is a new data assimilation system which uses the FV-CCM as its core model. One year CTM simulations of 2.5 degrees longitude by 2 degrees latitude resolution were run for each wind data set. We present the evaluation of temperature and annual transport cycles in the lower and middle stratosphere in the two new CTM simulations. We include an evaluation of high latitude transport which was not part of the original GMI criteria. Grades for the new simulations will be compared with those assigned during the original GMT evaluations and areas of improvement will be identified.

Strahan, Susan E.↗

DOE OSTI2022

Prolegomena to a hybrid Classical/Rydberg simulator for hadronization (QuPYTH)

We present the classically simulated integration of a hadronization model, based on a two-leg ladder configuration of neutral Rydberg atoms, with the PYTHIA event generator. The real-time evolution of a single central excitation, interpreted as a charge-anticharge, on the two-leg ladder displays features similar to string-breaking reminiscent of the current Lund string fragmentation model used in PYTHIA for hadronization. We calculate the real-time evolution classically for a Rydberg simulator with up to 26 atoms. The behavior for increasing sites suggests that the model would be approaching realistic hadron multiplicities using current QuEra hardware.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗