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Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗

Application of FARM to an IES scenario within the FORCE ecosystem

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON software module in the evaluation of the optimal dispatch by evaluating feasible set-points for the different IES unit components. Set-points are required to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). This problem is addressed by adopting a two-stage approach. First, the HERON power dispatcher determines set-points that meet the constraints on the former variables (e.g., power levels and power ramp rate limits). These constraints are called explicit constraints. Then, FARM adjusts these set-points to ensure the respect of the limits on the latter variables given the knowledge of the system physics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). The original version of the FARM software module (FARM-Alpha) was released by Argonne National Laboratory in January 2021. In the latest version of the code released in July 2022 (FARM-Delta), the Reference Governor (RG) algorithm was upgraded to a Multi-Input Multi-Output version from its original Single-Input Single-Output form. The RG algorithm acts to enforce constraints. With this improvement an IES unit is now treated as a single dynamic system from the standpoint of control. The crosstalk among components in an IES unit is now fully considered thereby ensuring a true optimization is obtained for those units that have multiple set-points. In this report, the capabilities of FARM-Delta operating within the FORCE ecosystem are demonstrated for an IES test case. The specific configuration of IES unit for this case was selected by the IES team with consultation from the Advanced Reactor IES Expert Group. A full TEA analysis that invoked HERON, HYBRID, FARM, and RAVEN was performed and serves to demonstrate how the latest modification to FARM algorithms (i.e., state variable selection, state-space matrices derivation, set-point verification) can shape setpoints that might otherwise compromise the health of equipment through accelerated wear and tear. In this specific test case, it was demonstrated that these algorithms ensure a more efficient utilization of steam resources to be shared by two different subsystems, namely Balance of Plant (BOP) and High-Temperature Steam Electrolysis (HTSE). Finally, some code improvements that can further enhance the user-friendliness are suggested.

97 MATHEMATICS AND COMPUTING↗

Automatic Generation of High-Performance Convolution Kernels on ARM CPUs for Deep Learning

In this work, we present FastConv, a template-based code auto-generation open source library that can automatically generate high-performance deep learning convolution kernels of arbitrary matrices/tensors shapes. FastConv is based on the Winograd algorithm, which is reportedly the highest performing algorithm for the time-consuming convolution layers of convolutional neural networks. ARM CPUs cover a wide range designs and specifications, from embedded devices to HPC-grade CPUs. The leads to the dilemma of how to consistently optimize Winograd-based convolution solvers for convolution layers of different shapes. FastConv addresses this problem by using templates to auto-generate multiple shapes of tuned kernels variants suitable for skinny tall matrices. As a performance portable library, FastConv transparently searches for the best combination of kernel shapes, cache tiles, scheduling of loop orders, packing strategies, access patterns, and online/offline computations. Auto-tuning is used to search the parameter configuration space for the best performance for a given target architecture and problem size. The experiments with layer-wise evaluation on the VGG--16 model confirms a 1.25x performance gains is got by tuning the Winograd library. Integrated comparison results shows 1.02x to 1.40x, 1.14x to 2.17x, and 1.22x and 2.48x speedup is achieved over NNPACK, Arm NN, and FeatherCNN on the Kunpeng 920 beside few cases. Furthermore, problem size performance portability experiments with various convolution shapes shows that FastConv achieves 1.2x to 1.7x speedup and 2x to 22x speedup over NNPACK and ARM NN inference engine using Winograd on Kunpeng 920 . CPU performance portability evaluation on the VGG--16 show an average speedup over NNPACK of 1.42x, 1.21x, 1.26x, 1.37x, 2.26x, and 11.02x is observed on Kunpeng 920, Snapdragon 835, 855, 888, Apple M1, and AWS Graviton2, respectively.

97 MATHEMATICS AND COMPUTING↗

A software package for plasma facing component analysis and design: the Heat flux Engineering Analysis Toolkit (HEAT)

The engineering limits of plasma facing components (PFCs) constrain the allowable operational space of tokamaks. Poorly managed heat fluxes that push the PFCs beyond their limits not only degrade core plasma performance via elevated impurities, but can also result in PFC failure due to thermal stresses or melting. Simple axisymmetric assumptions fail to capture the complex interaction between 3D PFC geometry and 2D or 3D plasmas. This results in fusion systems that must either operate with increased risk or reduce PFC loads, potentially through lower core plasma performance, to maintain a nominal safety factor. High precision 3D heat flux predictions are necessary to accurately ascertain the state of a PFC given the evolution of the magnetic equilibrium. A new code, the Heat flux Engineering Analysis Toolkit (HEAT), has been developed to provide high precision 3D predictions and analysis for PFCs. HEAT couples many otherwise disparate computational tools together into a single open source python package. Magnetic equilibrium, engineering CAD, finite volume solvers, scrape off layer plasma physics, visualization, high performace computing, and more, are connected in a single web-based user interface. Linux users may use HEAT without any software prerequisites via an appImage. This manuscript introduces HEAT, discusses the software architecture, presents first HEAT results, and outlines physics modules in development.

divertor physics↗

Simulation-Based Analysis of Reentry Dynamics for the Sharp Atmospheric Entry Vehicle

This thesis describes the analysis of the reentry dynamics of a high-performance lifting atmospheric entry vehicle through numerical simulation tools. The vehicle, named SHARP, is currently being developed by the Thermal Protection Materials and Systems branch of NASA Ames Research Center, Moffett Field, California. The goal of this project is to provide insight into trajectory tradeoffs and vehicle dynamics using simulation tools that are powerful, flexible, user-friendly and inexpensive. Implemented Using MATLAB and SIMULINK, these tools are developed with an eye towards further use in the conceptual design of the SHARP vehicle's trajectory and flight control systems. A trajectory simulator is used to quantify the entry capabilities of the vehicle subject to various operational constraints. Using an aerodynamic database computed by NASA and a model of the earth, the simulator generates the vehicle trajectory in three-dimensional space based on aerodynamic angle inputs. Requirements for entry along the SHARP aerothermal performance constraint are evaluated for different control strategies. Effect of vehicle mass on entry parameters is investigated, and the cross range capability of the vehicle is evaluated. Trajectory results are presented and interpreted. A six degree of freedom simulator builds on the trajectory simulator and provides attitude simulation for future entry controls development. A Newtonian aerodynamic model including control surfaces and a mass model are developed. A visualization tool for interpreting simulation results is described. Control surfaces are roughly sized. A simple controller is developed to fly the vehicle along its aerothermal performance constraint using aerodynamic flaps for control. This end-to-end demonstration proves the suitability of the 6-DOF simulator for future flight control system development. Finally, issues surrounding real-time simulation with hardware in the loop are discussed.

Tillier, Clemens Emmanuel↗

NASA/NOAA: Earth Science Electronic Theater 1999

The Electronic Theater (E-theater) presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966 to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA's visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization and Analysis Laboratory (VAL/912), and Scientific Visualization Studio (SVS/930), as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science E-Theater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April '98 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; and others will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach. Many of these visualizations have been widely disseminated through the world wide web pages of the HPCC/LTP/RSD program which can be found at http://rsd.gsfc.nasa.gov/rsd The one min interval animations of Hurricane Luis on ABC Nightline and the color perspective rendering of Hurricane Fran published by TIME, LIFE, Newsweek, Popular Science, National Geographic, Scientific American, and the "Weekly Reader" are some of the examples which will be shown.

Hasler, A. Fritz↗

NASA/NOAA: Earth Science Electronic Theater 1999. Earth Science Observations, Analysis and Visualization: Roots in the 60s - Vision for the Next Millennium

The Etheater presents visualizations which span the period from the original Suomi/Hasler animations of the first ATS-1 GEO weather satellite images in 1966, to the latest 1999 NASA Earth Science Vision for the next 25 years. Hot off the SGI-Onyx Graphics-Supercomputer are NASA''s visualizations of Hurricanes Mitch, Georges, Fran and Linda. These storms have been recently featured on the covers of National Geographic, Time, Newsweek and Popular Science. Highlights will be shown from the NASA hurricane visualization resource video tape that has been used repeatedly this season on National and International network TV. Results will be presented from a new paper on automatic wind measurements in Hurricane Luis from 1-min GOES images that appeared in the November BAMS. The visualizations are produced by the NASA Goddard Visualization & Analysis Laboratory, and Scientific Visualization Studio, as well as other Goddard and NASA groups using NASA, NOAA, ESA, and NASDA Earth science datasets. Visualizations will be shown from the Earth Science ETheater 1999 recently presented in Tokyo, Paris, Munich, Sydney, Melbourne, Honolulu, Washington, New York, and Dallas. The presentation Jan 11-14 at the AMS meeting in Dallas used a 4-CPU SGI/CRAY Onyx Infinite Reality Super Graphics Workstation with 8 GB RAM and a Terabyte Disk at 3840 X 1024 resolution with triple synchronized BarcoReality 9200 projectors on a 60ft wide screen. Visualizations will also be featured from the new Earth Today Exhibit which was opened by Vice President Gore on July 2, 1998 at the Smithsonian Air & Space Museum in Washington, as well as those presented for possible use at the American Museum of Natural History (NYC), Disney EPCOT, and other venues. New methods are demonstrated for visualizing, interpreting, comparing, organizing and analyzing immense HyperImage remote sensing datasets and three dimensional numerical model results. We call the data from many new Earth sensing satellites, HyperImage datasets, because they have such high resolution in the spectral, temporal, spatial, and dynamic range domains. The traditional numerical spreadsheet paradigm has been extended to develop a scientific visualization approach for processing HyperImage datasets and 3D model results interactively. The advantages of extending the powerful spreadsheet style of computation to multiple sets of images and organizing image processing were demonstrated using the Distributed Image SpreadSheet (DISS). The DISS is being used as a high performance testbed Next Generation Internet (NGI) VisAnalysis of: 1) El Nino SSTs and NDVI response 2) Latest GOES 10 5-min rapid Scans of 26 day 5000 frame movie of March & April 198 weather and tornadic storms 3) TRMM rainfall and lightning 4)GOES 9 satellite images/winds and NOAA aircraft radar of hurricane Luis, 5) lightning detector data merged with GOES image sequences, 6) Japanese GMS, TRMM, & ADEOS data 7) Chinese FY2 data 8) Meteosat & ERS/ATSR data 9) synchronized manipulation of multiple 3D numerical model views; etc. will be illustrated. The Image SpreadSheet has been highly successful in producing Earth science visualizations for public outreach.

Hasler, A. Fritz↗

A Novel Approach for Modeling Chemical Reaction in Generalized Fluid System Simulation Program

The Generalized Fluid System Simulation Program (GFSSP) is a computer code developed at NASA Marshall Space Flight Center for analyzing steady state and transient flow rates, pressures, temperatures, and concentrations in a complex flow network. The code, which performs system level simulation, can handle compressible and incompressible flows as well as phase change and mixture thermodynamics. Thermodynamic and thermophysical property programs, GASP, WASP and GASPAK provide the necessary data for fluids such as helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, water, a hydrogen, isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, several refrigerants, nitrogen trifluoride and ammonia. The program which was developed out of need for an easy to use system level simulation tool for complex flow networks, has been used for the following purposes to name a few: Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump Secondary Flow Circuits, Axial Thrust Balance of the Fastrac Engine Turbopump, Pressurized Propellant Feed System for the Propulsion Test Article at Stennis Space Center, X-34 Main Propulsion System, X-33 Reaction Control System and Thermal Protection System, and International Space Station Environmental Control and Life Support System design. There has been an increasing demand for implementing a combustion simulation capability into GFSSP in order to increase its system level simulation capability of a liquid rocket propulsion system starting from the propellant tanks up to the thruster nozzle for spacecraft as well as launch vehicles. The present work was undertaken for addressing this need. The chemical equilibrium equations derived from the second law of thermodynamics and the energy conservation equation derived from the first law of thermodynamics are solved simultaneously by a Newton-Raphson method. The numerical scheme was implemented as a User Subroutine in GFSSP.

Sozen, Mehmet↗

Development of Multi-Physics Dynamics Models for High-Frequency Large-Amplitude Structural Response Simulation

An analytic approach is demonstrated to reveal potential pyroshock-driven dynamic effects causing power losses in the Thermo-Electric (TE) module bars of the Mars Science Laboratory (MSL) Multi-Mission Radioisotope Thermoelectric Generator (MMRTG). This study utilizes high-fidelity finite element analysis with SIERRA/PRESTO codes to estimate wave propagation effects due to large-amplitude suddenly-applied pyro shock loads in the MMRTG. A high fidelity model of the TE module bar was created with approximately 30 million degrees-of-freedom (DOF). First, a quasi-static preload was applied on top of the TE module bar, then transient tri-axial acceleration inputs were simultaneously applied on the preloaded module. The applied input acceleration signals were measured during MMRTG shock qualification tests performed at the Jet Propulsion Laboratory. An explicit finite element solver in the SIERRA/PRESTO computational environment, along with a 3000 processor parallel super -computing framework at NASA AMES, was used for the simulation. The simulation results were investigated both qualitatively and quantitatively. The predicted shock wave propagation results provide detailed structural responses throughout the TE module bar, and key insights into the dynamic response (i.e., loads, displacements, accelerations) of critical internal spring/piston compression systems, TE materials, and internal component interfaces in the MMRTG TE module bar. They also provide confidence on the viability of this high-fidelity modeling scheme to accurately predict shock wave propagation patterns within complex structures. This analytic approach is envisioned for modeling shock sensitive hardware susceptible to intense shock environments positioned near shock separation devices in modern space vehicles and systems.

Shock Waves↗

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry↗

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Galileo mission planning for Low Gain Antenna based operations

The Galileo mission operations concept is undergoing substantial redesign, necessitated by the deployment failure of the High Gain Antenna, while the spacecraft is on its way to Jupiter. The new design applies state-of-the-art technology and processes to increase the telemetry rate available through the Low Gain Antenna and to increase the information density of the telemetry. This paper describes the mission planning process being developed as part of this redesign. Principal topics include a brief description of the new mission concept and anticipated science return (these have been covered more extensively in earlier papers), identification of key drivers on the mission planning process, a description of the process and its implementation schedule, a discussion of the application of automated mission planning tool to the process, and a status report on mission planning work to date. Galileo enhancements include extensive reprogramming of on-board computers and substantial hard ware and software upgrades for the Deep Space Network (DSN). The principal mode of operation will be onboard recording of science data followed by extended playback periods. A variety of techniques will be used to compress and edit the data both before recording and during playback. A highly-compressed real-time science data stream will also be important. The telemetry rate will be increased using advanced coding techniques and advanced receivers. Galileo mission planning for orbital operations now involves partitioning of several scarce resources. Particularly difficult are division of the telemetry among the many users (eleven instruments, radio science, engineering monitoring, and navigation) and allocation of space on the tape recorder at each of the ten satellite encounters. The planning process is complicated by uncertainty in forecast performance of the DSN modifications and the non-deterministic nature of the new data compression schemes. Key mission planning steps include quantifying resource or capabilities to be allocated, prioritizing science observations and estimating resource needs for each, working inter-and intra-orbit trades of these resources among the Project elements, and planning real-time science activity. The first major mission planning activity, a high level, orbit-by-orbit allocation of resources among science objectives, has already been completed; and results are illustrated in the paper. To make efficient use of limited resources, Galileo mission planning will rely on automated mission planning tools capable of dealing with interactions among time-varying downlink capability, real-time science and engineering data transmission, and playback of recorded data. A new generic mission planning tool is being adapted for this purpose.

Gershman, R.↗

Development of a SMA-Based, Slat-Gap Filler for Airframe Noise Reduction

Noise produced by unsteady flow around aircraft structures, termed airframe noise, is an important source of aircraft noise during the approach and landing phases of flight. Conventional leading-edge-slat devices for high lift on typical transport aircraft are a prominent source of airframe noise. Many concepts for slat noise reduction have been investigated. Slat-cove fillers have emerged as an attractive solution, but they maintain the gap flow, leaving some noise production mechanisms unabated, and thus represent a nonoptimal solution. Drooped-leading-edge (DLE) concepts have been proposed as "optimal" because the gap flow is eliminated. The deployed leading edge device is not distinct and separate from the main wing in DLE concepts and the high-lift performance suffers at high angles of attack (alpha) as a consequence. Elusive high-alpha performance and excessive weight penalty have stymied DLE development. The fact that high-lift performance of DLE systems is only affected at high alpha suggests another concept that simultaneously achieves the high-lift of the baseline airfoil and the noise reduction of DLE concepts. The concept involves utilizing a conventional leading-edge slat device and a deformable structure that is deployed from the leading edge of the main wing and closes the gap between the slat and main wing, termed a slat-gap filler (SGF). The deployable structure consists of a portion of the skin of the main wing and it is driven in conjunction with the slat during deployment and retraction. Benchtop models have been developed to assess the feasibility and to study important parameters. Computational models have assisted in the bench-top model design and provided valuable insight in the parameter space as well as the feasibility.

Turner, Travis L.↗

Investigating Kinetic Mechanisms of Soot Formation in Plasma Pyrolysis of Methane via Active Learning (Final Technical Report)

Plasma pyrolysis of methane is an effective route for zero-carbon hydrogen production. Yet, soot generated from pyrolysis of hydrocarbons is detrimental to the climate and human health. There is ample experimental and theoretical evidence that suggests polycyclic aromatic hydrocarbons (PAHs) are the molecular precursors to soot particles. The reaction pathways of PAH formation are intricately dependent on a multitude of process parameters, whose kinetic mechanisms are not well-understood in plasma pyrolysis. This project aims to leverage advances in the kinetic modeling of soot formation in combustion, as well as in surrogate modeling and active learning, to systematically investigate the effects of process parameter on the kinetics of PAH formation in plasma pyrolysis of methane. To this end, we propose to use the PAH formation kinetics model developed by the PPPL/PU group based on the well-established ABF and HACA mechanisms, coupled with low-temperature plasma models. We will develop an active learning (AL) framework based on Bayesian optimization to systematically and data-efficiently explore the complex and multivariable parameter space of plasma pyrolysis in order to quantify the effects of plasma and feed parameters on the ABF and HACA kinetic pathways. AL is the branch of machine learning concerned with systematically querying samples from a system (experimental or computational) to train a data-driven model that maps design parameters to a performance criterion. We will use the data generated via AL to perform global sensitivity analysis, combined with uncertainty quantification, to elucidate the impact of different reaction pathways on minimizing formation of soot precursors. This study will result in an improved understanding of kinetics of PAH formation in plasma pyrolysis and can pave the way for more advanced mechanistic studies (e.g., soot nucleation mechanisms). Additionally, the findings will be useful for establishing practical strategies for increasing the pyrolysis efficiency and producing high-grade carbon for synthesis of nanomaterials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experiments in thrusterless robot locomotion control for space applications

While performing complex assembly tasks or moving about in space, a space robot should minimize the amount of propellant consumed. A study is presented of space robot locomotion and orientation without the use of thrusters. The goal was to design a robot control paradigm that will perform thrusterless locomotion between two points on a structure, and to implement this paradigm on an experimental robot. A two arm free flying robot was constructed which floats on a cushion of air to simulate in 2-D the drag free, zero-g environment of space. The robot can impart momentum to itself by pushing off from an external structure in a coordinated two arm maneuver, and can then reorient itself by activating a momentum wheel. The controller design consists of two parts: a high level strategic controller and a low level dynamic controller. The control paradigm was verified experimentally by commanding the robot to push off from a structure with both arms, rotate 180 degs while translating freely, and then to catch itself on another structure. This method, based on the computed torque, provides a linear feedback law in momentum and its derivatives for a system of rigid bodies.

Jasper, Warren Joseph↗

Generating Safety-Critical PLC Code From a High-Level Application Software Specification

The benefits of automatic-application code generation are widely accepted within the software engineering community. These benefits include raised abstraction level of application programming, shorter product development time, lower maintenance costs, and increased code quality and consistency. Surprisingly, code generation concepts have not yet found wide acceptance and use in the field of programmable logic controller (PLC) software development. Software engineers at Kennedy Space Center recognized the need for PLC code generation while developing the new ground checkout and launch processing system, called the Launch Control System (LCS). Engineers developed a process and a prototype software tool that automatically translates a high-level representation or specification of application software into ladder logic that executes on a PLC. All the computer hardware in the LCS is planned to be commercial off the shelf (COTS), including industrial controllers or PLCs that are connected to the sensors and end items out in the field. Most of the software in LCS is also planned to be COTS, with only small adapter software modules that must be developed in order to interface between the various COTS software products. A domain-specific language (DSL) is a programming language designed to perform tasks and to solve problems in a particular domain, such as ground processing of launch vehicles. The LCS engineers created a DSL for developing test sequences of ground checkout and launch operations of future launch vehicle and spacecraft elements, and they are developing a tabular specification format that uses the DSL keywords and functions familiar to the ground and flight system users. The tabular specification format, or tabular spec, allows most ground and flight system users to document how the application software is intended to function and requires little or no software programming knowledge or experience. A small sample from a prototype tabular spec application is shown.

Source record↗

Numerical method for predicting flow characteristics and performance of nonaxisymmetric nozzles, theory

The theoretical foundation and formulation of a numerical method for predicting the viscous flowfield in and about isolated three dimensional nozzles of geometrically complex configuration are presented. High Reynolds number turbulent flows are of primary interest for any combination of subsonic, transonic, and supersonic flow conditions inside or outside the nozzle. An alternating-direction implicit (ADI) numerical technique is employed to integrate the unsteady Navier-Stokes equations until an asymptotic steady-state solution is reached. Boundary conditions are computed with an implicit technique compatible with the ADI technique employed at interior points of the flow region. The equations are formulated and solved in a boundary-conforming curvilinear coordinate system. The curvilinear coordinate system and computational grid is generated numerically as the solution to an elliptic boundary value problem. A method is developed that automatically adjusts the elliptic system so that the interior grid spacing is controlled directly by the a priori selection of the grid spacing on the boundaries of the flow region.

Thomas, P. D.↗

Development of code evaluation criteria for assessing predictive capability and performance

Computational Fluid Dynamics (CFD), because of its unique ability to predict complex three-dimensional flows, is being applied with increasing frequency in the aerospace industry. Currently, no consistent code validation procedure is applied within the industry. Such a procedure is needed to increase confidence in CFD and reduce risk in the use of these codes as a design and analysis tool. This final contract report defines classifications for three levels of code validation, directly relating the use of CFD codes to the engineering design cycle. Evaluation criteria by which codes are measured and classified are recommended and discussed. Criteria for selecting experimental data against which CFD results can be compared are outlined. A four phase CFD code validation procedure is described in detail. Finally, the code validation procedure is demonstrated through application of the REACT CFD code to a series of cases culminating in a code to data comparison on the Space Shuttle Main Engine High Pressure Fuel Turbopump Impeller.

Lin, Shyi-Jang↗