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DOE OSTI2022

Deep Hierarchical Super Resolution for Scientific Data

We present a novel technique for hierarchical super resolution (SR) with neural networks (NNs), which upscales volumetric data represented with an octree data structure to a high-resolution uniform gridwith minimal seam artifacts on octree node boundaries. Our method uses existing state-of-the-art SR models and adds flexibility to upscale input data with varying levels of detail across the domain, instead of only uniform grid data that are supported in previous approaches.The key is to use a hierarchy of SR NNs, each trained to perform 2x SR between two levels of detail, with a hierarchical SR algorithm that minimizes seam artifacts by starting from the coarsest level of detail and working up.We show that our hierarchical approach outperforms baseline interpolation and hierarchical upscaling methods, and demonstrate the usefulness of our proposed approach across three use cases including data reduction using hierarchical downsampling+SR instead of uniform downsampling+SR, computation savings for hierarchical finite-time Lyapunov exponent field calculation, and super-resolving low-resolution simulation results for a high-resolution approximation visualization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dimensionality effects on multicomponent ionic transport and surface complexation in porous media

Coulombic interactions between charged species in pore water and at surface/solution interfaces are of pivotal importance for multicomponent reactive transport in porous media. In this study, we investigate the impact of domain dimensionality on electrostatically coupled dispersion and surface-solution reactions during transport of acidic plumes and major ions in porous media. Column and quasi two-dimensional flow-through experiments were performed, with identical silica porous media and under the same advection-dominated conditions. Equal mass fluxes of different electrolyte solutions (i.e., HCl - pH ~ 2.8, NaBr - 100 mM, HCl - pH ~ 2.8 plus NaBr - 100 mM) were continuously injected in the 1-D and 2-D experiments and breakthrough curves of pH and major ions were measured at the outlet of the domains. The presence of pronounced ionic strength gradients in the transverse direction in the 2-D setup caused distinct retardation and transport behaviors of protons and major ions which were not observed in the one-dimensional column experiments. Furthermore, in the cases of salt electrolytes injection, considerably enhanced release of H + (>61%) from the quartz surface was observed in the multidimensional system compared to the one-dimensional setup. Reactive transport modeling was performed to reproduce the experimental outcomes and to analyse the coupling between transport processes, based on the Nernst-Planck formulation of diffusive/dispersive fluxes and on surface complexation reactions at the solid-solution interface. Electrostatic interactions between Na + , B – , and H + , and deprotonation of the quartz surface upon the formation of sodium outer-sphere complexes, are the primary controllers of the spatial and temporal features displayed by the pH and major ions measurements. The reactive transport simulations allowed us to interpret the experimental observations, to visualize the distribution and spatio-temporal evolution of dissolved and solid species, to identify a spatially heterogeneous zonation of Coulombic interactions with distinct behavior at the fringe and core of the injected plumes in the multidimensional setup, and to quantify the different components of the Nerst-Planck fluxes of the charged solutes. This study demonstrates that the domain dimensionality directly affects electrostatic interactions between charged aqueous species in the pore water and surface complexation reactions at the solid-solution interface. The non-trivial effects of dimensionality on multicomponent ionic transport result in a significantly different behavior in 1-D and 2-D systems.

58 GEOSCIENCES↗

NASA NTRS2004

Thermodynamic Modeling of a Solid Oxide Fuel Cell to Couple with an Existing Gas Turbine Engine Model

The Controls and Dynamics Technology Branch at NASA Glenn Research Center are interested in combining a solid oxide fuel cell (SOFC) to operate in conjunction with a gas turbine engine. A detailed engine model currently exists in the Matlab/Simulink environment. The idea is to incorporate a SOFC model within the turbine engine simulation and observe the hybrid system's performance. The fuel cell will be heated to its appropriate operating condition by the engine s combustor. Once the fuel cell is operating at its steady-state temperature, the gas burner will back down slowly until the engine is fully operating on the hot gases exhausted from the SOFC. The SOFC code is based on a steady-state model developed by The U.S. Department of Energy (DOE). In its current form, the DOE SOFC model exists in Microsoft Excel and uses Visual Basics to create an I-V (current-voltage) profile. For the project's application, the main issue with this model is that the gas path flow and fuel flow temperatures are used as input parameters instead of outputs. The objective is to create a SOFC model based on the DOE model that inputs the fuel cells flow rates and outputs temperature of the flow streams; therefore, creating a temperature profile as a function of fuel flow rate. This will be done by applying the First Law of Thermodynamics for a flow system to the fuel cell. Validation of this model will be done in two procedures. First, for a given flow rate the exit stream temperature will be calculated and compared to DOE SOFC temperature as a point comparison. Next, an I-V curve and temperature curve will be generated where the I-V curve will be compared with the DOE SOFC I-V curve. Matching I-V curves will suggest validation of the temperature curve because voltage is a function of temperature. Once the temperature profile is created and validated, the model will then be placed into the turbine engine simulation for system analysis.

Brinson, Thomas E.↗

NASA NTRS1984

Experimental investigation of shock-cell noise reduction for dual-stream nozzles in simulated flight

Six scale-model nozzles were tested in an anechoic facility to evauate the effectiveness of convergent-divergent (C-D) terminations in reducing shock-cell noise of unsuppressed and mechanically suppressed coannular plug nozzles. One hundred fifty-three acoustic test points with inverted velocity profiles were conducted under static and simulated flight conditions. Diagnostic flow visualization with a shadowgraph and velocity measurements with a laser velocimeter were performed on selected plumes. Shock-cells were identified on the plug and downstream of the plug of the unsuppressed convergent coannular nozzle with truncated plug. Broadband peak frequencies predicted with the two shock-cell structures were correlated with the observed spectra using the measured shock-cell spacings. Relative to a convergent circular nozzle, the perceived noise level (PNL) data at an observer angle of 60 deg relative to inlet, indicated a reduction of (1) 6.5 dB and 9.2 dB with unsuppressed C-D coannular nozzle with truncated plug and (2) 7.7 dB and 8.3 dB with suppressed C-D coannular nozzle under static and simulated flight conditions, espectively. The unsuppressed C-D coannular nozzle with truncated plug, operating at the C-D design condition, had shock-cells downstream of the plug with no shock-cells on the plug. The downstream shock-cells were eliminated by replacing the truncated plug with a smooth extension to obtain an additional 2.4 dB and 3 dB front quadrant PNL reduction, under static and simulated flight conditions, respectively. Other results are discussed.

Janardan, B. A.↗

NASA NTRS1992

Structural mechanics simulations

Sandia National Laboratory has a very broad structural capability. Work has been performed in support of reentry vehicles, nuclear reactor safety, weapons systems and components, nuclear waste transport, strategic petroleum reserve, nuclear waste storage, wind and solar energy, drilling technology, and submarine programs. The analysis environment contains both commercial and internally developed software. Included are mesh generation capabilities, structural simulation codes, and visual codes for examining simulation results. To effectively simulate a wide variety of physical phenomena, a large number of constitutive models have been developed.

Biffle, Johnny H.↗

NASA NTRS2013

Ionospheric Simulation System for Satellite Observations and Global Assimilative Modeling Experiments (ISOGAME)

ISOGAME is designed and developed to assess quantitatively the impact of new observation systems on the capability of imaging and modeling the ionosphere. With ISOGAME, one can perform observation system simulation experiments (OSSEs). A typical OSSE using ISOGAME would involve: (1) simulating various ionospheric conditions on global scales; (2) simulating ionospheric measurements made from a constellation of low-Earth-orbiters (LEOs), particularly Global Navigation Satellite System (GNSS) radio occultation data, and from ground-based global GNSS networks; (3) conducting ionospheric data assimilation experiments with the Global Assimilative Ionospheric Model (GAIM); and (4) analyzing modeling results with visualization tools. ISOGAME can provide quantitative assessment of the accuracy of assimilative modeling with the interested observation system. Other observation systems besides those based on GNSS are also possible to analyze. The system is composed of a suite of software that combines the GAIM, including a 4D first-principles ionospheric model and data assimilation modules, an Internal Reference Ionosphere (IRI) model that has been developed by international ionospheric research communities, observation simulator, visualization software, and orbit design, simulation, and optimization software. The core GAIM model used in ISOGAME is based on the GAIM++ code (written in C++) that includes a new high-fidelity geomagnetic field representation (multi-dipole). New visualization tools and analysis algorithms for the OSSEs are now part of ISOGAME.

Pi, Xiaoqing↗

DOE OSTI2019

Resolution Limits of Near IR and IR Thermography Applied to Imaging Thermal Heterogeneities in Nuclear Fuel Surrogate Materials

ABSTRACT The main goal of the project is: To develop an IR thermographic method to monitor fuel pellet cracking inside the hostile environment of the nuclear core. This method will use a high temperature and radiation resistant fiber optic bundle to monitor the fuel pellet inside the core and transmit the information outside to an IR camera. This method will give a visual cue (using IR video) as to when the crack started to form and how it progresses. To achieve this goal, we identified the following as major milestones of the project: 1. Perform 1D modeling of temperature and blackbody radiation intensity across a crack. 2. Image a crack on a fuel cell surrogate using an IR camera with free-space optics and high power laser setup. 3. Simulate cracking in the surrogate sample through inductive heating method, and demonstrate imaging crack formation using the free-space optics setup. 4. Determine parameters for a suitable fiber optic bundle compatible with the IR camera based on the results from the free-space optics experiments. 5. Demonstrate imaging using fiber bundle and integrate viewing system with nuclear core at INL. This report focuses on Goals 1-3. We have successfully achieved Goals 1-3 and are making steady progress towards achieving Goals 4-9. Goals 2 and 4 are very similar and require 2 basic parts: the imaging system and the method to crack the fuel surrogate to replicate the fuel pellet cracking in the nuclear reactor core. The following sections describe the 1D modeling of temperature and blackbody radiation intensity across a crack (Goal 1), procedure to create crack on fuel surrogates and results (Goals 2 and 3), and the IR imaging system and results (Goal 2).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Visual Analytics of Crosstalk in Quantum Hardware

Crosstalk remains a major obstacle to building scalable and fault-tolerant quantum computers. Conventional diagnostic techniques-often based on numerical simulation or statistical modeling-struggle to scale with hardware complexity and offer limited interpretability. In this work, we present a visual analytics framework for diagnosing qubit crosstalk using lightweight, circuit-based models integrated with an interactive user interface. Our approach quantifies correlations between active and idle qubits under parameterized single- and twoqubit operations, enabling detection of both spatial and gateinduced crosstalk. The system incorporates qubit topology and gate performance data to support sector-based exploration and correlation mapping. This tool assists users in identifying correlated error sources, informing qubit placement strategies, and guiding noise-aware circuit design.

Chae, Junghoon [ORNL] (ORCID:0000000206016746)↗

NASA NTRS1997

Video display engineering and optimization system

A video display engineering and optimization CAD simulation system for designing a LCD display integrates models of a display device circuit, electro-optics, surface geometry, and physiological optics to model the system performance of a display. This CAD system permits system performance and design trade-offs to be evaluated without constructing a physical prototype of the device. The systems includes a series of modules which permit analysis of design trade-offs in terms of their visual impact on a viewer looking at a display.

Larimer, James↗

NASA NTRS1997

Evaluation of a Human Modeling Software Tool in the Prediction of Extra Vehicular Activity Tasks for an International Space Station Assembly Mission

The difficulty of accomplishing work in extravehicular activity (EVA) is well documented. It arises as a result of motion constraints imposed by a pressurized spacesuit in a near-vacuum and of the frictionless environment induced in microgravity. The appropriate placement of foot restraints is crucial to ensuring that astronauts can remove and drive bolts, mate and demate connectors, and actuate levers. The location on structural members of the foot restraint sockets, to which the portable foot restraint is attached, must provide for an orientation of the restraint that affords the astronaut adequate visual and reach envelopes. Previously, the initial location of these sockets was dependent upon the experienced designer's ability to estimate placement. The design was tested in a simulated zero-gravity environment; spacesuited astronauts performed the tasks with mockups while submerged in water. Crew evaluation of the tasks based on these designs often indicated the bolt or other structure to which force needed to be applied was not within an acceptable work envelope, resulting in redesign. The development of improved methods for location of crew aids prior to testing would result in savings to the design effort for EVA hardware. Such an effort to streamline EVA design is especially relevant to International Space Station construction and maintenance. Assembly operations alone are expected to require in excess of four hundred hours of EVA. Thus, techniques which conserve design resources for assembly missions can have significant impact. We describe an effort to implement a human modelling application in the design effort for an International Space Station Assembly Mission. On Assembly Flight 6A, the Canadian-built Space Station Remote Manipulator System will be delivered to the U.S. Laboratory. It will be released from its launch restraints by astronauts in EVA. The design of the placement of foot restraint sockets was carried out using the human model Jack, and the modelling results were compared with actual underwater test results. The predicted locations of the sockets was found to be acceptable for 94% of the tasks attempted by the astronauts, This effort provides confidence in the capabilities of this package to accurately model tasks. It therefore increases assurance that the tool maybe used early in the design process.

Dischinger, H. Charles↗

DOE OSTI2022

MFIX-Exa: Performance prediction of multiphase energy conversion devices

MFIX-Exa targets the high-fidelity CFD-DEM model in which particles are unresolved by the fluid grid (typically using a fluid mesh approximately twice the particle diameter) but discrete particle dynamics including collisions are resolved with a simple linear-spring dashpot model. The fluid field is solved with a modern low Mach number formation of a cell-centered, nodal-pressure approximate projection method using a Godunov scheme . Physics capabilities include: complex geometries via embedded boundaries (EBs), open and closed system ideal gas equations of state, species transport and heterogeneous chemi- cal reactions. MFIX-Exa is built on the AMReX software framework, the ECP Block-Structured Adaptive Mesh Refinement (AMR) Co-Design Center, which allows the code to be portable and performant.Further integration into the ECP ecosystem includes HYPRE linear solvers and Ascent for in situ visualization. Current project efforts focus on scaling up realistic simulations to the KPP of the challenge problem: NETs 50kW chemical looping reactor, shakedown and scaling on JSLE and OLCF TDS systems and reaching for any remaining performance improvements.

Musser, Jordan↗

DOE OSTI2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗

NASA NTRS2016

Microgravity-Induced Physiological Fluid Redistribution: Computational Analysis to Assess Influence of Physiological Parameters

Space flight impacts human physiology in many ways, the most immediate being the marked cephalad (headward) shift of fluid upon introduction into the microgravity environment. This physiological response to microgravity points to the redistribution of blood and interstitial fluid as a major factor in the loss of venous tone and reduction in heart muscle efficiency which impact astronaut performance. In addition, researchers have hypothesized that a reduction in astronaut visual acuity, part of the Visual Impairment and Intracranial Pressure (VIIP) syndrome, is associated with this redistribution of fluid. VIIP arises within several months of beginning space flight and includes a variety of ophthalmic changes including posterior globe flattening, distension of the optic nerve sheath, and kinking of the optic nerve. We utilize a suite of lumped parameter models to simulate microgravity-induced fluid redistribution in the cardiovascular, central nervous and ocular systems to provide initial and boundary data to a 3D finite element simulation of ocular biomechanics in VIIP. Specifically, the lumped parameter cardiovascular model acts as the primary means of establishing how microgravity, and the associated lack of hydrostatic gradient, impacts fluid redistribution. The cardiovascular model consists of 16 compartments, including three cerebrospinal fluid (CSF) compartments, three cranial blood compartments, and 10 thoracic and lower limb blood compartments. To assess the models capability to address variations in physiological parameters, we completed a formal uncertainty and sensitivity analysis that evaluated the relative importance of 42 input parameters required in the model on relative compartment flows and compartment pressures. Utilizing the model in a pulsatile flow configuration, the sensitivity analysis identified the ten parameters that most influenced each compartment pressure. Generally, each compartment responded appropriately to parameter variations associated with itself and adjacent compartments. However, several unexpected interactions between components, such as between the choroid plexus and the lower capillaries, were found, and are due to simplifications in the formulation of the model. The analysis illustrates that highly influential parameters and those that have unique influences within the model formulation must be tightly controlled for successful model application.

gravitational physiology↗

NASA NTRS2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

Earth system dynamics↗

NASA NTRS2017

A Compilation of MATLAB Scripts and Functions for MACGMC Analyses

The primary aim of the current effort is to provide scripts that automate many of the repetitive pre- and post-processing tasks associated with composite materials analyses using the Micromechanics Analysis Code with the Generalized Method of Cells. This document consists of a compilation of hundreds of scripts that were developed in MATLAB (The Mathworks, Inc., Natick, MA) programming language and consolidated into 16 MATLAB functions. (MACGMC). MACGMC is a composite material and laminate analysis software code developed at NASA Glenn Research Center. The software package has been built around the generalized method of cells (GMC) family of micromechanics theories. The computer code is developed with a user-friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermo-mechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The pre-processing tasks include generation of a multitude of different repeating unit cells (RUCs) for CMCs and PMCs, visualization of RUCs from MACGMC input and output files and generation of the RUC section of a MACGMC input file. The post-processing tasks include visualization of the predicted composite response, such as local stress and strain contours, damage initiation and progression, stress-strain behavior, and fatigue response. In addition to the above, several miscellaneous scripts have been developed that can be used to perform repeated Monte-Carlo simulations to enable probabilistic simulations with minimal manual intervention. This document is formatted to provide MATLAB source files and descriptions of how to utilize them. It is assumed that the user has a basic understanding of how MATLAB scripts work and some MATLAB programming experience.

Materials Engineering↗

NASA NTRS2011

Constructive Engineering of Simulations

Joint experimentation that investigates sensor optimization, re-tasking and management has far reaching implications for Department of Defense, Interagency and multinational partners. An adaption of traditional human in the loop (HITL) Modeling and Simulation (M&S) was one approach used to generate the findings necessary to derive and support these implications. Here an entity-based simulation was re-engineered to run on USJFCOM's High Performance Computer (HPC). The HPC was used to support the vast number of constructive runs necessary to produce statistically significant data in a timely manner. Then from the resulting sensitivity analysis, event designers blended the necessary visualization and decision making components into a synthetic environment for the HITL simulations trials. These trials focused on areas where human decision making had the greatest impact on the sensor investigations. Thus, this paper discusses how re-engineering existing M&S for constructive applications can positively influence the design of an associated HITL experiment.

Snyder, Daniel R.↗

NASA NTRSDate not supplied

Flow and Noise from Supersonic Plug Nozzles

Nozzles with external plugs are candidates for propulsion of future supersonic aircraft. A model-scale experimental study is conducted exploring the flow and noise characteristics of various plug nozzles. For a given outer nozzle, the plug geometry is varied from conic with various half-angles (lengths) to plugs designed by the method of characteristics (MoC) as well as truncated and porous plugs. So far, noise characteristics and schlieren flow visualization data have been acquired. Limited numerical simulations have also been done addressing thrust performance. The simulations show that the MoC plugs out-perform the conic cases, especially around high Mach number cruise conditions. The experimental data, however, show that the MoC plugs are noisy relative to the conic cases at low Mach number landing and takeoff (LTO) conditions. The increased noise (with MoC at LTO) is accompanied by unsteady turbulent structures and increased jet spreading, as seen in schlieren pictures. At LTO, the longest conic plug is found to be the least noisy. Furthermore, a porous surface on the long conic plug effectively suppresses broadband shock associated noise (BBSN) at higher Mach numbers. Thus, a dilemma remains. MoC design gives best thrust performance at cruise but it is noisy at LTO. A long conic plug, on the other hand, is quieter at LTO but may have unacceptable thrust at cruise.

jets↗

NASA NTRSDate not supplied

Flow and noise from supersonic plug nozzles

jets↗