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

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108 records · Page 6

NASA Tech Briefs, April 2012

Topics include: Computational Ghost Imaging for Remote Sensing; Digital Architecture for a Trace Gas Sensor Platform; Dispersed Fringe Sensing Analysis - DFSA; Indium Tin Oxide Resistor-Based Nitric Oxide Microsensors; Gas Composition Sensing Using Carbon Nanotube Arrays; Sensor for Boundary Shear Stress in Fluid Flow; Model-Based Method for Sensor Validation; Qualification of Engineering Camera for Long-Duration Deep Space Missions; Remotely Powered Reconfigurable Receiver for Extreme Environment Sensing Platforms; Bump Bonding Using Metal-Coated Carbon Nanotubes; In Situ Mosaic Brightness Correction; Simplex GPS and InSAR Inversion Software; Virtual Machine Language 2.1; Multi-Scale Three-Dimensional Variational Data Assimilation System for Coastal Ocean Prediction; Pandora Operation and Analysis Software; Fabrication of a Cryogenic Bias Filter for Ultrasensitive Focal Plane; Processing of Nanosensors Using a Sacrificial Template Approach; High-Temperature Shape Memory Polymers; Modular Flooring System; Non-Toxic, Low-Freezing, Drop-In Replacement Heat Transfer Fluids; Materials That Enhance Efficiency and Radiation Resistance of Solar Cells; Low-Cost, Rugged High-Vacuum System; Static Gas-Charging Plug; Floating Oil-Spill Containment Device; Stemless Ball Valve; Improving Balance Function Using Low Levels of Electrical Stimulation of the Balance Organs; Oxygen-Methane Thruster; Lunar Navigation Determination System - LaNDS; Launch Method for Kites in Low-Wind or No-Wind Conditions; Supercritical CO2 Cleaning System for Planetary Protection and Contamination Control Applications; Design and Performance of a Wideband Radio Telescope; Finite Element Models for Electron Beam Freeform Fabrication Process Autonomous Information Unit for Fine-Grain Data Access Control and Information Protection in a Net-Centric System; Vehicle Detection for RCTA/ANS (Autonomous Navigation System); Image Mapping and Visual Attention on the Sensory Ego-Sphere; HyDE Framework for Stochastic and Hybrid Model-Based Diagnosis; and IMAGESEER - IMAGEs for Education and Research.

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Understanding and Strategies for Controlled Interfacial Phenomena in Lithium-Ion Batteries and Beyond

Electrolyte chemistry and properties and electrode structure and chemical properties particularly at the interfaces are crucial for the development of advanced battery components. This project focused on elucidating the roles of the electrolyte and electrode on the formation and evolution of the SEI layer and cell electrochemical performance on silicon and on Li metal anodes. For Si nano/microstructures we evaluated lithiation, volume changes, reactivity, and chemo-mechanical transformations as functions of nanoparticle size, shape, presence of coatings, electrolyte composition, electron leakage to the electrolyte, and cycling. For Li metal anodes we provided detailed analyses of the electrode and electrolyte effects on interfacial reactivity and as a function of microstructural evolution and underlying stochasticity as dendrites nucleate and grow. We thoroughly investigated and simulated how the chemistry of the various components of the electrolyte and the electrode architecture may affect the electrochemical reactions as well as cell degradation. A multiscale modeling approach was utilized, where atomistic simulations informed about the microscopic behavior of the system, and intermediate time and length scales were investigated with mesoscopic models. Results were also tested against selected experiments from our collaborators. The combined theoretical-experimental strategy saves costs by utilizing predictions from computational analyses to guide experimentation.

25 ENERGY STORAGE↗

Multimode Metastructures: Novel Hybrid 3D Lattice Topologies

With the rapid proliferation of additive manufacturing and 3D printing technologies, architected cellular solids including truss-like 3D lattice topologies offer the opportunity to program the effective material response through topological design at the mesoscale. The present report summarizes several of the key findings from a 3-year Laboratory Directed Research and Development Program. The program set out to explore novel lattice topologies that can be designed to control, redirect, or dissipate energy from one or multiple insult environments relevant to Sandia missions, including crush, shock/impact, vibration, thermal, etc. In the first 4 sections, we document four novel lattice topologies stemming from this study: coulombic lattices, multi-morphology lattices, interpenetrating lattices, and pore-modified gyroid cellular solids, each with unique properties that had not been achieved by existing cellular/lattice metamaterials. The fifth section explores how unintentional lattice imperfections stemming from the manufacturing process, primarily sur face roughness in the case of laser powder bed fusion, serve to cause stochastic response but that in some cases such as elastic response the stochastic behavior is homogenized through the adoption of lattices. In the sixth section we explore a novel neural network screening process that allows such stocastic variability to be predicted. In the last three sections, we explore considerations of computational design of lattices. Specifically, in section 7 using a novel generative optimization scheme to design novel pareto-optimal lattices for multi-objective environments. In section 8, we use computational design to optimize a metallic lattice structure to absorb impact energy for a 1000 ft/s impact. And in section 9, we develop a modified micromorphic continuum model to solve wave propagation problems in lattices efficiently.

36 MATERIALS SCIENCE↗

AEOLUS: Advances in Experimental Design, Optimal Control, and Learning for Uncertain Complex Systems

Sustained advances in the mathematics of modeling and simulation have resulted in the capability today for routine simulation of a number of large scale complex DOE-relevant systems. As remarkable as this capability for solving the so-called forward problem is, it is typically only the first step-an inner loop within an outer loop that explores the simulation model's parameter space and decision space to characterize uncertainty in the model's predictions, learn unknown model parameters from data, design the most informative experiments, determine optimal control strategies, and create optimal designs. Broadly, what unifies all of these outer loop problems is that they are, in one form or another, optimization problems over parameter/control/design space that are constrained by complex uncertain models. To fully realize the power of scientific simulation as a basis for scientific discovery, technological innovation, and rational decision-making, it is imperative to move beyond simulation to tackle the outer loop of optimization for learning from data, experimental design, and control with complex uncertain models. When the models under consideration are large-scale and complex, and when the optimization variable and uncertain parameter spaces are high (or infinite) dimensional, this constitutes a grand challenge of the highest order, and is intractable with conventional methods. To overcome these challenges, the AEOLUS Center was established to develop a unified mathematical, computational, and statistical framework for (1) Learning predictive models from complex data via Bayesian inference and optimization, and (2) Optimizing experiments, processes, and designs using the resulting uncertain models. These problems are intractable with conventional methods, for several reasons: (1) The simulation problems that govern the inner loops of the optimization problems are expensive to execute (due to severe nonlinearity, heterogeneity, multiphysics/multiscale coupling); (2) The optimization variable and uncertain parameter spaces are high dimensional, often stemming from discretizations of infinite dimensional fields such as initial conditions, sources, or material properties. We argue that the key to overcoming these challenges is to develop new mathematical, computational, and statistical methods that exploit the structure of the Bayesian inference and optimization problems mediated by their underlying complex uncertain models. This structure includes the regularity, sparsity, geometry, low intrinsic dimensionality, and multifidelity nature of the maps from uncertain parameter/optimization variable spaces to the specific objectives targeted: Bayesian inference, optimal experimental design, and optimal control design. Black box methods developed as generic tools are incapable of exploiting this structure. To be successful, we must create, integrate, and cross-fertilize ideas across multiple areas of applied math--including approximation theory, Bayesian inference, data science, experimental design, information theory, machine learning, model reduction, optimal control theory, parallel algorithms, PDE-constrained optimization, randomized algorithms, stochastic optimization, and uncertainty quantification--all while exploiting the structure of the problems at hand. With this goal in mind, we have marshaled a team of leading authorities in these areas. While the methods we develop will be broadly applicable across a wide spectrum of DOE problems in which experiments inform models and the systems those models describe must be optimized under uncertainty, we have chosen a specific area, advanced manufacturing and materials, to drive our work. AMM is characterized by complex models across multiple scales, and is a rich source of challenging problems in inference, experimental design, and optimal control, requiring multifaceted and integrated advances in applied mathematics. As such, AMM serves as an excellent vehicle to motivate and demonstrate the advances in applied mathematics developed by our center.

97 MATHEMATICS AND COMPUTING↗

Stardust Navigation Covariance Analysis

The Stardust spacecraft was launched on February 7, 1999 aboard a Boeing Delta-II rocket. Mission participants include the National Aeronautics and Space Administration (NASA), the Jet Propulsion Laboratory (JPL), Lockheed Martin Astronautics (LMA) and the University of Washington. The primary objective of the mission is to collect in-situ samples of the coma of comet Wild-2 and return those samples to the Earth for analysis. Mission design and operational navigation for Stardust is performed by the Jet Propulsion Laboratory (JPL). This paper will describe the extensive JPL effort in support of the Stardust pre-launch analysis of the orbit determination component of the mission covariance study. A description of the mission and it's trajectory will be provided first, followed by a discussion of the covariance procedure and models. Predicted accuracy's will be examined as they relate to navigation delivery requirements for specific critical events during the mission. Stardust was launched into a heliocentric trajectory in early 1999. It will perform an Earth Gravity Assist (EGA) on January 15, 2001 to acquire an orbit for the eventual rendezvous with comet Wild-2. The spacecraft will fly through the coma (atmosphere) on the dayside of Wild-2 on January 2, 2004. At that time samples will be obtained using an aerogel collector. After the comet encounter Stardust will return to Earth when the Sample Return Capsule (SRC) will separate and land at the Utah Test Site (UTTR) on January 15, 2006. The spacecraft will however be deflected off into a heliocentric orbit. The mission is divided into three phases for the covariance analysis. They are 1) Launch to EGA, 2) EGA to Wild-2 encounter and 3) Wild-2 encounter to Earth reentry. Orbit determination assumptions for each phase are provided. These include estimated and consider parameters and their associated a-priori uncertainties. Major perturbations to the trajectory include 19 deterministic and statistical maneuvers planned for the mission. The spacecraft is three axis stabilized and has unbalanced thrusters for attitude control. Accelerations due to the attitude control system are treated stochastically. The tracking scenario for the study is patterned after the actual schedule employed during the different phases of the mission. Conventional X-band two-way Doppler and SRA range data was simulated and the standard accuracy for these data types was assumed throughout most of the mission. However, a deweighting scheme was used for the Doppler data during times of low Sun-Earth-Probe angles, especially in the case of the DSM. Optical data is assumed to be available starting at 50 days prior to the comet encounter. The optical data will be used to improve the ephemeris of Wild-2, which is considered crucial to properly target the comet flyby. Results of the covariance analysis are presented for all mission phases. Navigation capability will be discussed in terms of the uncertainty in the encounter B-Plane (B.R and B.T) and linearized time of flight. Delivery errors based on the final maneuver prior to the comet encounter will be presented. The most stringent navigation requirement is for the Earth reentry. The uncertainty in the flight path angle must be less than 0.02 degree (orbit determination and maneuver performance) to assure successful recovery of the SRC. Results presented show that this requirement can be met.

Menon, Premkumar R.↗

Tectonic-Climate Interactions in Action Orogenic Belts: Quantification of Dynamic Topography with SRTM data

This project was undertaken to examine the approach to steady state in collisional mountain belts. Although the primary thrust of this grant was to look at larger collisional mountain belts, such as the Himalaya, the Tien Shan, and Southern Alps, we began by looking at smaller structures represented by growing and propagating folds. Like ranges that are evolving toward a topographic steady state, these folds undergo a series of morphologic changes as they are progressively uplifted and eroded. We wanted to document the nature of these changes and to try to discern some of the underlying controls on them. We initially focused on the Wheeler Ridge anticline in southern California. Subsequently, we progressed to looking at the topographic development and the effects of differential uplift and glaciation on the Kyrgyz Range in the northern Tien Shan. This range is unusual inasmuch as it is transformed along its length from a simple uplift with a largely preserved Mesozoic erosion surface arching across it to a highly dissected and heavily glaciated uplift in the region where uplift has been sustained at higher rates over longer intervals. In efforts to understand the distribution of erosion rates at 10(exp 3) - 10(exp 5) year time scales, cosmogenic radionuclide (CRN) concentrations have been gaining increasingly widespread usage (Brown et al., 1995; Riebe et al., 2004; Riebe et al., 2001; Vance et al., 2003). Most studies to date, however, have been conducted in slowly eroding ranges. In rapidly eroding mountains where landslides deliver most of the sediments to the rivers, we hypothesized that CRN concentrations could be highly perturbed by the stochastic processes of landsliding. Therefore, we undertook the development of a numerical model that simulated the effects of both landsliding and grain-by-grain attrition within fluvial catchments. This modeling effort has shown the effects of catchment size and erosion rate on CRN concentrations and allows a prediction of where to sample to obtain the optimal erosion rate estimates using CRN techniques. Finally, we developed computational techniques to operate on DEMs to extract useful information that would enable quantification of climate-erosion interactions. In particular, we worked on rapid techniques to define catchments of any given range of sizes, to extract channel gradients, to combine precipitation information to calculate discharge, and to utilize various stream-power models to determine the erosional energy within any given catchment within a transect. We briefly describe results from Wheeler Ridge, the Kyrgyz Range, the Nepal Himalaya, and our numerical modeling.

Burbank, Douglas W.↗

NRAP-Open-IAM: NRAP Open Source Integrated Assessment Model

Note: This is the last version (a2.6.1) of NRAP-Open-IAM released during NRAP Phase II in 2022. The latest version of NRAP-Open-IAM is available here: https://edx.netl.doe.gov/dataset/phase-iii-nrap-open-iam NRAP-Open-IAM is an open-source software product that enables quantification of containment effectiveness and leakage risk at storage sites in the context of system uncertainties and variability. NRAP-Open-IAM represents the next-generation in a line of systems-based computational models developed for quantitative geological carbon storage (GCS) risk assessment. The model comprises a set of reduced-order and analytical models of various components of the GCS system, potential leakage pathways, receptors of concern including impact to groundwater resources and the atmosphere, a framework to support stochastic simulation, time stepping, uncertainty quantification, other analytical functionality for scenario and risk-performance evaluation, and a basic graphical user interface to support scenario development, data input simulation definition, and basic post-processing and results display. As the NRAP Open-IAM functionality continues to evolve, we continue to add to its capability to develop quantitative, probabilistic, and time-dependent profiles of the evolution of risk at a GCS site and evaluate the influence of uncertain parameters on uncertainty in predicted risk. It can be used to quantify the dynamics of reservoir saturation plume and pressure-affected area, for evaluation of the area of potential groundwater impact (i.e., Area of Review) and monitoring requirements to support cost and regulatory analysis, and for consideration of different post-injection site care and closure scenarios. This submission contains the current version of NRAP-Open-IAM available for evaluation and testing. To use the NRAP-Open-IAM, download the source code (https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/4c24a3da-3b40-4ffe-9892-c807ae9f8760) then open the NRAP-Open-IAM user's guide (https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/8b27335a-343c-4836-b8a3-3ad0bdc9e669) to read more about the tool. Installation instructions for Windows, Mac, and Linux can be found in the "installers" folder of the extracted NRAP-Open-IAM folder and describe setup of environment (e.g., Python libraries) needed for proper work of the tool. Test of installation can be done by running "python openiam_setup_tests.py" in the "setup" folder. The installation test also runs a test suite to see if the NRAP-Open-IAM has been installed correctly. To run the test suite separately, run "python iam_test.py" in the "test" folder. User's guide: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/8b27335a-343c-4836-b8a3-3ad0bdc9e669 Developer's guide: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/3bc6ee7d-609d-4eb6-80ba-fa6130ee0313 Reservoir simulation data used in some examples distributed with NRAP-Open-IAM: - Kimberlina: https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/eb62cece-61b2-4037-9b6d-32407dde2ab8 - Kimberlina (compartmentalized): https://edx.netl.doe.gov/dataset/08f396c8-bc5f-44ad-a028-6e98a6ea6d70/resource/366f9530-3b32-4b84-affe-ab2df1d9a8b5 - FutureGen 2.0: https://edx.netl.doe.gov/dataset/futuregen-2-0-1008-simulation-reservoir-lookup-table NRAP-Open-IAM GitLab repository: https://gitlab.com/NRAP/OpenIAM Related publications: - Bacon, D., Yonkofski, C., Brown, C., Demirkanli, D. and Whiting, J., 2019. Risk-based post injection site care and monitoring for commercial-scale carbon storage: Reevaluation of the FutureGen 2.0 site using NRAP-Open-IAM and DREAM. International Journal of Greenhouse Gas Control 90: 102784. - Bacon, D. Demirkanli, D., and White, S., 2020. Probabilistic risk-based Area of Review (AoR) determination for a deep-saline carbon storage site. International Journal of Greenhouse Gas Control 102: 103153. - Harp, D., Oldenburg, C., and Pawar, R., 2019. A metric for evaluating conformance robustness during geologic CO2 sequestration operations. International Journal of Greenhouse Gas Control 85: 100-108. - Lackey, G., Vasylkivska, V., Huerta, N., King, S., and Dilmore, R., 2019. Managing well leakage risks at a geologic carbon storage site with many wells, International Journal of Greenhouse Gas Control, 88 :182-194. - Vasylkivska, V., Dilmore, R., Lackey, G., Zhang, Y., King, S., Bacon, D., Chen, B., Mansoor, K., and Harp, D., 2021. NRAP-Open-IAM: A flexible open-source integrated assessment model for geologic carbon storage risk assessment and management, Environmental Modelling & Software, 143: 105114. Presentations: - Chen, B., Harp, D., and Pawar, R., A data assimilation approach (ES-MDA) coupling with NRAP-Open-IAM for quantifying uncertainty reduction in geological CO2 sequestration. AGUFM 2019: T44A-02. - Chen, B., and Harp, D., Improving risk analysis precision for geologic CO2 sequestration by quantifying the uncertainty reduction before and after acquiring monitoring data. 14th Greenhouse Gas Control Technologies Conference, Melbourne, Australia, 2018, pp. 21-26. - Harp, D., National Risk Assessment Partnership Task 2: Containment Assurance. No. LA-UR-19-28654, Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2019. - Vasylkivska, V., King, S., Bacon, D., Harp, D., Chen, B., Mansoor, K., Onishi, T., Yang, Y., Zhang, Y., and Keating, E., NRAP-Open-IAM: An open-source integrated assessment model, poster, Mastering the Subsurface Through Technology Innovation, Partnerships and Collaboration: Carbon Storage and Oil and Natural Gas Technologies Review Meeting, Pittsburgh, PA, August 13-16, 2018. - Vasylkivska, V., Lackey, G., King, S., Wentworth, A., Huerta, N., Creason, C., DiGiulio, J., Yang, Y., and Dilmore, R., Long-term risk analysis of a geologic CO2 storage project during the post-injection period, SIAM Conference on Computational Science and Engineering, Spokane, WA, February 25-March 1, 2019. - Vasylkivska, V., Overview of the NRAP-Open-IAM tool for carbon storage (beta release), 2019 Annual NRAP Tool Users Meeting, Pittsburgh, PA, August 27, 2019. - Vasylkivska, V., Bacon, D., Chen, B., Dilmore, R., Harp, D., King, S., Lackey, G., Lindner, E., Liu, G., Mansoor, K. and Zhang, Y., NRAP-Open-IAM: A new, open-source code for integrated assessment of geologic carbon storage containment effectiveness and leakage risk, poster, American Geophysical Union Fall Meeting 2020 (virtual meeting), December 2020. - Vasylkivska, V., NRAP open-source integrated assessment model and relevant application, oral presentation, NRAP workshop "NRAP Tools for Geologic Carbon Storage Risk-Based Decision Making" held in conjunction with Groundwater Protection Council (GWPC) 2021 Annual Forum (virtual meeting), Salt Lake City, UT, September 2021. - Vasylkivska, V., NRAP-Open-IAM: open-source integrated assessment model, digital poster/demonstration, software demonstration session, 2022 Carbon Management Project Review Meeting, August 16, 2022

AoR↗

A REDUCED ORDER MODELING APPROACH TO PROBABILISTIC CREEP-DAMAGE PREDICTIONS IN FINITE ELEMENT ANALYSIS

This paper introduces a computationally efficient Reduced Order Modeling (ROM) approach for the probabilistic prediction of creep-damage failure. Component-level probabilistic simulations are needed to assess the reliability and safety of high-temperature components. Full-scale probabilistic creep-damage modeling in finite element (FE) approach is computationally expensive requiring many hundreds of simulations to replicate the uncertainty of component failure. To that end, ROM is proposed to minimize the elevated computational cost while controlling the loss of accuracy. It is proposed that full-scale probabilistic simulations can be completed in 1D at a reduced cost, the extremum conditions extracted, and those conditions applied for lower-cost 2D/3D probabilistic simulations of components that capture the mean and uncertainty of failure. The probabilistic Sine-hyperbolic (Sinh) model is selected which in previous work was calibrated to alloy 304 stainless steel. The Sinh model includes probability density functions (pdfs) for test condition (stress and temperature), initial damage (i.e. microstructure), and material properties uncertainty. The Sinh model is programmed into ANSYS finite element software using the USERCREEP.F material subroutine. First, the Sinh model and FE code are subject to verification and validation to ensure the accuracy of the simulations. Numerous Monte Carlo simulations are executed in a 1D model to generate probabilistic creep deformation, damage, and rupture data. This data is analyzed and the probabilistic parameters corresponding to extreme creep response are extracted. The ROM concept is applied where only the extreme conditions are applied in the 2D probabilistic prediction of a component. The probabilistic predictions between the 1D and 2D geometry is compared to assess ROM for creep. The accuracy of the probabilistic prediction employing the ROM approach will potentially reduce the time and cost of simulating complex engineering systems. Future studies will introduce multi-stage Sinh, stochasticity, and spatial uncertainty for improved prediction.

36 MATERIALS SCIENCE↗

Adaptive Recovery Model: Designing Systems for Testing Tracing and Vaccination to Support COVID-19 Recovery Planning.

This report documents a new approach to designing disease control policies that allocate scarce testing, contact tracing, and vaccination resources to better control community transmission of COVID19 or similar diseases. The Adaptive Recovery Model (ARM) combines a deterministic compartmental disease model with a stochastic network disease propagation model to enable us to simulate COVID-19 community spread through the lens of two complementary modeling motifs. ARM contact networks are derived from cell-phone location data that have been anonymized and interpreted as individual arrivals to specic public locations. Modeling disease spread over these networks allows us to identify locations within communities conducive to rapid disease spread. ARM applies this model- and data-derived abstractions of community transmission to evaluate the effectiveness of disease control measures including targeted social distancing, contact tracing, testing and vaccination. The architecture of ARM provides a unique capacity to help decision makers understand how best to deploy scarce testing, tracing and vaccination resources to minimize disease-spread potential in a community. This document details the novel mathematical formulations underlying ARM, presents a dynamical stability analysis of the deterministic model components, a sensitivity analysis of control parameters and network structure, and summarizes a process for deriving contact networks from cell-phone location data. An example use case steps through applying ARM to evaluate three targeted social distancing policies using Bernalillo County, New Mexico as an exemplar test locale. This step-by-step analysis demonstrates how ARM can be used to measure the relative performance of competing public health policies. Initial scenario tests of ARM shows that ARMs design focus on resource utilization rather than simple incidence prediction can provide decision makers with additional quantitative guidance for managing ongoing public health emergencies and planning future responses.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Multistage economic MPC for systems with a cyclic steady state: A gas network case study

Multistage model predictive control (MPC) provides a robust control strategy for dynamic systems with uncertainties and a setpoint tracking objective. Moreover, extending MPC to minimize an economic cost instead of tracking a pre-calculated optimal setpoint improves controller performance. This paper presents a novel multistage economic nonlinear model predictive control (E-NMPC) framework for dynamic systems operating under uncertainty, with specific application to natural gas transmission networks. A key innovation lies in the integration of cyclic steady-state (CSS) constraints within the multistage MPC formulation, enabling the controller to manage periodic operating conditions commonly observed in energy systems. A Lyapunov-based descent condition is enforced to ensure robust stability of the controller. The multistage economic MPC framework is validated on two gas pipeline case studies, where it successfully minimizes net energy consumption, respects operational constraints under uncertain demand profiles, and guides the network to optimal cyclic operation. The Lyapunov function remains bounded in both case studies, validating the robust stability of multistage E-NMPC.

03 NATURAL GAS↗

Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are identifying hidden geothermal resources in the USA and designing profitable enhanced geothermal systems (EGS). Many non-obvious processes and parameters could characterize geothermal resources and could control the ultimate energy potential of geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize geothermal resources, but this data is sparse and multi-scale. This has hindered attempts to leverage the datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) give promise to overcome these issues. Modern ML methods and tools can (1) analyze large datasets, (2) assimilate model ensembles that include a multitude of inputs and outputs, (3) process sparse datasets, (4) perform transfer learning between sites with different data quality, (5) extract hidden geothermal signatures from field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. In this work, we implement ML-based geothermal exploration and an enhanced geothermal systems (EGS) design tool to achieve the above goals. Our exploration tool is GeoThermalCloud (GTC) EGS design tool is GeoDT-ML. GTC (github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. It enables the identification of critical measurements needed to identify geothermal resource signatures. GeoDT-ML (github.com/SmartTensors/GeoThermalCloud.jl/tree/master/) adds coupling to GeoDT (https://github.com/GeoDesignTool/GeoDT.git) for stochastic EGS design optimization and performance prediction. GeoDT-ML leverages recent advances in deep learning and high-performance computing. Contributors to this effort include LANL, PNNL, Google, Stanford, and Julia Computing.

15 GEOTHERMAL ENERGY↗

Probabilistic Path Planning of Montgolfier Balloons in Strong, Uncertain Wind Fields

Lighter-than-air vehicles such as hot-air balloons have been proposed for exploring Saturn s moon Titan, as well as other bodies with significant atmospheres. For these vehicles to navigate effectively, it is critical to incorporate the effects of surrounding wind fields, especially as these winds will likely be strong relative to the control authority of the vehicle. Predictive models of these wind fields are available, and previous research has considered problems of planning paths subject to these predicted forces. However, such previous work has considered the wind fields as known a priori, whereas in practical applications, the actual wind vector field is not known exactly and may deviate significantly from the wind velocities estimated by the model. A probabilistic 3D path-planning algorithm was developed for balloons to use uncertain wind models to generate time-efficient paths. The nominal goal of the algorithm is to determine what altitude and what horizontal actuation, if any is available on the vehicle, to use to reach a particular goal location in the least expected time, utilizing advantageous winds. The solution also enables one to quickly evaluate the expected time-to-goal from any other location and to avoid regions of large uncertainty. This method is designed for balloons in wind fields but may be generalized for any buoyant vehicle operating in a vector field. To prepare the planning problem, the uncertainty in the wind field is modeled. Then, the problem of reaching a particular goal location is formulated as a Markov decision process (MDP) using a discretized space approach. Solving the MDP provides a policy of what actuation option (how much buoyancy change and, if applicable, horizontal actuation) should be selected at any given location to minimize the expected time-to-goal. The results provide expected time-to-goal values from any given location on the globe in addition to the action policy. This stochastic approach can also provide insights not accessible by deterministic methods; for example, one can evaluate variability and risk associated with different scenarios, rather than only viewing the expected outcome.

Wolf, Michael↗

Utilizing computer vision and artificial intelligence algorithms to predict and design the mechanical compression response of direct ink write 3D printed foam replacement structures

Additive Manufacturing (AM) of porous polymeric materials, such as foams, recently became a topic of intensive research due their unique combination of low density, impressive mechanical properties, and stress dissipation capabilities. Conventional methods for fabricating foams rely on complex and stochastic processes, making it challenging to achieve precise architectural control of structured porosity. In contrast, AM provides access to a wide range of printable materials, where precise spatial control over structured porosity can be modulated during the fabrication process enabling the production of foam replacement structures (FRS). Current approaches for designing FRS are based on intuitive understanding of their properties or an extensive number of finite element method (FEM) simulations. These approaches, however, are computationally expensive and time consuming. As such, in this work, we present a novel methodology for determining the mechanical compression response of direct ink write (DIW) 3D printed FRS using a simple cross-sectional image. By obtaining measurement data for a relatively small number of samples, an artificial neural network (ANN) was trained, and a computer vision algorithm was used to make inferences about foam compression characteristics from a single cross-sectional image. Finally, a genetic algorithm (GA) was used to solve the inverse design problem, generating the AM printing parameters that an engineer should use to achieve a desired compression response from a DIW printed FRS. The methods developed herein present an avenue for entirely autonomous design and analysis of additively manufactured structures using artificial intelligence.

36 MATERIALS SCIENCE↗

Progress on Demonstration of a MOOSE-Based Coupled Capability for Hot Channel Factors in Fast Reactors

Hot channel factors (HCFs) are computed values that account for the impact on predicted peak fuel, cladding, and coolant temperatures due to uncertainties in the as-built reactor’s material properties and geometry as well as uncertainties due to modeling approximations. Reduction in computed HCF values via reduction or elimination of modeling approximations may translate to significant economic savings if the reactor power can be raised due to the extra temperature margin gained. While limited historical datasets exist for sodium-cooled fast reactors (SFRs), there are no available HCF data for lead-cooled fast reactors (LFRs) outside of work generated previously within NEAMS. The computation of HCFs involves insights from reactor physics, thermal fluids and heat conduction calculations to determine how the peak temperatures respond to various uncertainties in the design. Due to the significant advantages for multi-physics coupling offered by the MOOSE framework, Griffin (MOOSE-based reactor physics code), MOOSE Heat Conduction Module, and Cardinal (MOOSE-wrapped multi-physics application which includes the NekRS thermal fluids code) are being coupled together using the MOOSE MultiApp System to develop a highfidelity multi-physics modeling capability for HCF simulations. This high-fidelity coupling workflow may also be beneficial for other fast reactor applications in the future. In previous work, Griffin and NekRS were individually assessed to ensure the necessary capabilities were in place. This work describes initial efforts to couple the codes (including folding in the MOOSE Heat Conduction Module) and determining the workflow for the perturbed calculations which will leverage the Stochastic Tools Module (STM). To our knowledge, this is the first coupling of Griffin and NekRS as well as the first exploratory use of Stochastic Tools Module for Cardinal. In this report, the neutronics code Griffin, the heat conduction solver in MOOSE, and the MOOSE-wrapped application containing NekRS (Cardinal) are linked together to demonstrate the coupled capability. Griffin and Cardinal are linked dynamically by specifying shared libraries. Different coupling hierarchies are tested for selecting the most appropriate coupling strategy. A coupling scheme is selected based on the efficiency of calculation and ease of data communication. Multiple tests are performed to choose suitable mesh structure, model configurations, scheme setup and boundary conditions to avoid loss of energy due to data interpolation between different modules or weak imposition of fluxes in finite element codes. Computational experiments are performed to study the tolerance control of each type of iteration to avoid false convergence. The coupled capability is demonstrated in both single pin and 7-pin models based on LFR materials and geometry. The study finds that the use of too large a time step size in the heat conduction module can lead to temperature oscillation even though the heat conduction equation does not have a time-derivative kernel, but only the time-dependent boundary condition. A 7-pin model without duct region achieved good convergence in the coupled calculation while a 7 pin model with duct region experienced data communication issues which need to be resolved.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

STOCHASTIC OPTIMAL POWER FLOW FOR REAL-TIME MANAGEMENT OF DISTRIBUTED RENEWABLE GENERATION AND DEMAND RESPONSE (Final Report)

To meet the grand challenge of a sustainable energy future, there has been a surge of interest in renewable energy. Today, the uncertainty associated with renewable resources is handled by using operating reserves. The high penetration of renewable resources, however, introduces difficult-to-control dynamics and challenges for power system operation. Decision support tools are necessary at the bulk system operational level to recognize and efficiently utilize renewable resources and distributed demand response products in concert with traditional grid resources. It is envisaged that responsive load can potentially have very significant cost advantages over either spinning or non-spinning ramping reserve. Critical decisions are made during hour(s)-ahead and real-time power system operation regarding the commitment and dispatch of generators to ensure power delivery is both reliable and economic. These decisions are typically made by a security constrained optimal flow, which determines future generator commitments, dispatches, and ensures adequate reserves are available in the event of a contingency (unexpected outage) or if future system conditions deviate from forecasts. However, security has been always based on a pre-specified subset of contingency constraints whose enforcement does not guarantee security under all possible future possibilities while also giving little or no weight to the likelihood of each contingent event or the severity of its consequences. Existing tools, which are based exclusively on deterministic optimization models, do not yield optimal operational decisions to address these new challenges, in terms of both reliability and cost-effectiveness. This project has focused on developing a stochastic optimal power flow (SOPF) framework, which integrates renewable resource uncertainty, load uncertainty, distributed storage (DS), demand response (DR) products, in a holistic manner to address the uncertainty associated with ever-increasing renewable resources, along with the inclusion of distributed demand response products in future power systems. A proof-of-concept problem was created using the Pennsylvania-Jersey-Maryland (PJM) power system network. Synthetic wind generation was added to the system to simulate 50% wind penetration. A 1-hour test of SOPF operation indicated more than 6% operational cost savings. The project continued by adding the Midwestern Independent System Operator (MISO) as a partner, with focus shifting from SOPF to Stochastic Look-Ahead Unit Commitment (SLAC). Unlike PJM, MISO is faced with significant renewable energy resources within its footprint and is challenged with substantial uncertainty in its operations. The SLAC distinguishes itself from existing tools that operators use. At best, today’s tools solve two to three cases independently, where one or two system parameters, such as forecasted load level (e.g., a low, base, and high forecast), are varied and the resulting scenarios are analyzed independently. The stochastic-based optimization of SLAC leverages statistical information from an ensemble of potential operational scenarios and their respective likelihood. The SLAC output can be translated into valuable information to the operator such as suggested commitments, optimal scheduling and dispatch of resources, reserve requirements at both locational and zonal resolutions, ramping availability and requirements, availability of demand response including operational guidance concerning the near-term and real-time coordination between distributed energy resources, and utilization of distributed storage resources. The developed SOPF/SLAC tool, a stand-alone tool compatible with existing EMSs, will provide system operators with unprecedented visibility, flexibility and predictability to these resources and operational guidance concerning the real-time coordination between DERs and DR/DS products. The game changing and practical impact of this disruptive technology will be dramatic and will usher in a new era in the electric power industry, wherein green energy concepts are fully embraced, and electric power costs are lowered throughout the nation.

42 ENGINEERING↗

Autonomous Ocean World Exploration: Advancement of a Virtual Testbed

The search for life (extinct or extant) and potentially habitable bodies in our solar system and beyond is one of the 12 priority science questions outlined in the National Acadamies’ 2022 decadal survey [5]. Extraterrestrial destinations containing liquid water present an opportunity to search for life as we know it, and in recent years an increasing number of such locations have been discovered within our solar system. Several Jovian moons—Europa, Ganymede, and Callisto [10]—and the Saturnian moons Enceladus [8] and Titan [9] are known or suspected to harbor massive subsurface oceans. Of these "ocean worlds", Europa is the focus of at least one planned NASA orbiter mission, Europa Clipper [4], and an early lander mission concept, the Europa Lander [2, 3]. Whereas most robotic missions to the Moon and Mars (e.g. orbiters, rovers, landers) to date have had ground controllers on Earth tightly involved in mission operations, missions to more distant worlds will require a high degree of onboard autonomy due to long communication lags and blackouts, harsh environments (radiation, cold), and more limited battery and hardware life. The past decade has seen great advances in both AI technologies and computing scalability and performance that offer promising solutions for spacecraft autonomy and motivate the software system and research programs described in this paper. The Ocean Worlds Autonomy Testbed for Exploration, Research, and Simulation (OceanWATERS) [1], which has been in development at the NASA Ames Research Center since 2018, is a virtual environment for testing lander autonomy solutions. It is built on the Robot Operating System (ROS), runs on consumer-grade Linux workstations, and was released as open source in 2020. OceanWATERS provides a physical and visual simulation of a prototypical lander in a Europa-like environment (Figure 1). The lander was modeled after requirements and specifications made in JPL’s Europa Lander Study of 2016 [3]. Simulated lander systems include stereo cameras and spotlights mounted on an antenna mast that pans and tilts, a 6 degrees of freedom (DoF) robotic arm with a force-torque sensor and two interchangeable end effectors, and a battery pack power system. The environment consists of multiple terrain models including a highly detailed model sourced from the FROST dataset [11], simulation of surrounding planetary bodies based on an ephemeris model, and lighting from the sun with associated surface illumination, reflectance, and shadows. Operations supported by OceanWATERS include panoramic and directed imaging of the environment and lander workspace, Cartesian and joint-level arm commanding, grinding of the terrain surface (e.g. digging a trench), and scooping of ground material (Figure 2) which can be discarded or collected as science samples in a receptacle that can be emptied (science operations themselves are not simulated). These operations are realized as ROS Actions and are complimented by a wide selection of telemetry that is continually produced by each lander subsystem. The power system model is driven by the open-source Generic Software Architecture for Prognostics (GSAP) [11] that predicts the battery’s remaining useful life and other characteristics. As a testbed for high-level autonomy, OceanWATERS provides an execution framework based on PLEXIL [12], an open-source plan specification language and execution engine developed largely at Ames. NASA's initial development of OceanWATERS, as well the Ocean Worlds Lander Autonomy Testbed (OWLAT) [6], a complimentary physical testbed developed at JPL, was the first step in a plan for realizing candidate onboard autonomy solutions for such planetary landers. In 2020 NASA solicited applications for its Autonomous Robotics Research for Ocean Worlds (ARROW) program, and in 2021 the similar Concepts for Ocean worlds Life Detection Technology (COLDTech) program. Collectively six research teams, based in universities and companies across the United States, were awarded grants to develop and demonstrate autonomy solutions on OceanWATERS and OWLAT. These 1–2-year projects have now finished or are nearing completion, and a wide variety of autonomy challenges in ocean world surface missions were addressed. Prototyped and demonstrated solutions have included autonomous discovery, response and adaptation to system faults and unexpected environmental events, world model synthesis through perception, plan synthesis using learned models, methods to optimize sample target selection and prioritize science data transmission, extension of PLEXIL for stochastic decision-making, and an integration of a model of JPL’s mission-ready COLDArm [7]. Technologies used in these projects include many forms of machine learning, causal reasoning, automated planning, Markov decision processes, formal methods, and other advanced techniques. A more detailed summary of the ARROW and COLDTech projects is given herein. OceanWATERS has had significant enhancements since its open-source release in 2020. Many of its new features were driven or shaped by feedback from the ARROW and COLDTech teams and requirements of their projects. In support of enabling autonomous adaptation to spacecraft faults (a specific capability solicited by both programs), a fault injection and detection framework was developed that supports a wide and growing range of fault types such as locked joints, image loss, and battery failures. The power system model was completed and integrated into the simulator, starting as a single-cell battery model and later upgraded to a multi-cell model with associated faults such as cell disconnection. Arm/terrain interaction was improved by adding a force-torque sensor and associated faults, and an analytic dig force model based on the Balovnev bucket force equations. Environment fidelity was increased by modeling terrain deformation resulting from digging and scooping; visual improvements were made in textures, lighting, and shadows. To facilitate interoperation with OWLAT, a unified command and telemetry interface between the testbeds was developed at the ROS level, along with a PLEXIL interface. The number of lander operations was greatly expanded (e.g. with Cartesian-based arm and antenna movement), and a framework was designed for users to build their own lander actions. A GUI for PLEXIL plan selection was created (Figure 3), and an expansive set of plans were added, such as those that illustrate patterns for fault handling. This paper provides a self-contained high-level description of OceanWATERS, focusing on more detailed coverage of the aforementioned enhancements. It provides a high-level summary of the projects undertaken by participants in the ARROW and COLDTech programs and how these efforts have helped shape OceanWATERS. Finally, potential future work and directions for the testbed are listed, as likely informed by the recent planetary science decadal survey [5].

K Michael Dalal↗

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗