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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Deep Learning–Assisted Multiobjective Optimization of Geological CO 2 Storage Performance under Geomechanical Risks

In geological CO 2 storage, designing the optimal well control strategy for CO 2 injection to maximize CO 2 storage while minimizing the associated geomechanical risks is not trivial. This challenge arises due to pressure buildup, CO 2 plume migration, the highly nonlinear nature of geomechanical responses to rock-fluid interaction, and the high computational cost associated with coupled flow and geomechanics simulations. In this paper, we introduce a novel optimization framework to address these challenges. The optimization problem is formulated as follows: maximize total CO 2 storage while minimizing geomechanical risks by adjusting the injection schedules within bounded constraints. The geomechanical risks are primarily driven by injection-induced pressure build-up, which is characterized by ground displacement and the induced microseismicity. We used the Fourier neural operator (FNO)-based deep learning model to construct surrogate models, replacing the time-consuming coupled flow and geomechanics simulations for evaluating the aforementioned objective functions. The developed surrogate models have been incorporated into a multiobjective optimization framework through a genetic algorithm to reduce the computational burden. The proposed optimization framework reduces the computational cost from approximately 2,400 hours, when using objective function evaluations based on physics-based simulations, to around 20 minutes. A set of Pareto-optimal solutions of the proposed workflow yields nontrivial optimal decisions, reducing the microseismicity potential and the vertical displacement. This Pareto front highlights the optimal trade-offs between CO 2 storage amount, safety, and ground displacement, emphasizing the need for careful optimization and management of injection strategies to achieve a balanced outcome. The novelty of this work is twofold. First, we demonstrate the importance of incorporating the minimization of the geomechanical risks as objective functions into the CO 2 storage optimization workflow to mitigate the potential risk of induced microseismicity and ground displacement. Second, we leverage the FNO-based surrogate models to optimize a real-field CO 2 storage operation.

42 ENGINEERING↗

DOE OSTI2021

Collective states and charge density waves in the group IV transition metal trichalcogenides

It has been nearly a century since the original mechanism for charge density wave (CDW) formation was suggested by Peierls. Since then, the term has come to describe several related concepts in condensed matter physics, having their origin in either the electron–phonon or electron–electron interaction. The vast majority of CDW literature deals with systems that are metallic, where discussions of mechanisms related to the Fermi surface are valid. Recently, it has been suggested that semiconducting systems such as TiS 3 and TiSe 2 exhibit behavior related to CDWs. In such cases, the origin of the behavior is more subtle and intimately tied to electron–electron interactions. We introduce the different classifications of CDW systems that have been proposed and discuss work on the group IV transition metal trichalcogenides (TMTs) (ZrTe 3 , HfTe 3 , TiTe 3 , and TiS 3 ), which are an exciting and emergent material system whose members exhibit quasi-one-dimensional properties. TMTs are van der Waals materials and can be readily studied in the few-layer limit, opening new avenues to manipulating collective states. We emphasize the semiconducting compound TiS 3 and suggest how it can be classified based on available data. Although we can conjecture on the origin of the CDW in TiS 3 , further measurements are required to properly characterize it.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Colloidal characterization of ultrafine silicon carbide and silicon nitride powders

The effects of various powder treatment strategies on the colloid chemistry of aqueous dispersions of silicon carbide and silicon nitride are examined using a surface titration methodology. Pretreatments are used to differentiate between the true surface chemistry of the powders and artifacts resulting from exposure history. Silicon nitride powders require more extensive pretreatment to reveal consistent surface chemistry than do silicon carbide powders. As measured by titration, the degree of proton adsorption from the suspending fluid by pretreated silicon nitride and silicon carbide powders can both be made similar to that of silica.

Whitman, Pamela K.↗

DOE OSTI2024

Tuning Surface Adhesion Using Grayscale Electron-beam Lithography

Surface texturing of manufactured products tailors their properties, such as friction, adhesion, biocompatibility, or fluid interactions. However, advancements in this area are largely the result of trial-and-effort testing and generally lack a science-guided framework for determining the surface topography that will optimize performance. The present investigation explores grayscale electron-beam lithography as a means to create multiscale surface patterns to control surface performance. Here, we created and characterized a set of surface textures on a silicon wafer; the textures were superpositions of sine waves of varying wavelengths and amplitudes. First, the multiscale topography of the patterned surface was characterized, using profilometry and atomic force microscopy, to understand its fidelity to the designed-in pattern. The results of this analysis demonstrated how grayscale lithography accurately controlled the lateral size of features but was less precise on the vertical height of the surface, and also introduced inherent roughness below the scale of patterning. Second, a micromechanical tester was used to characterize the adhesion of the surfaces with large-scale polished silicon spheres. The results showed that adhesion could be tailored, with significant contribution from all of the designed-in length scales of topography. The strength of adhesion did not correlate with conventional roughness parameters but could be accurately modeled using simple numerical integration. Taken together, this investigation demonstrates the promise and challenges of grayscale e-beam lithography with multiscale patterns as a method for the tailoring of surface performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

Multi-dimensional modeling of a thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change material (PCM) contained in toroidal canisters for thermal energy storage. Presented are the results from heat transfer analyses of a PCM containment canister. One and two dimensional finite difference computer models are developed to analyze heat transfer in the canister walls, PCM, void, and heat engine working fluid coolant. The modes of heat transfer considered include conduction in canister walls and solid PCM, conduction and pseudo-free convection in liquid PCM, conduction and radiation across PCM vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid PCM phases) are prescribed based on engineering judgment. The PCM phase change process is analyzed using the enthalpy method. The discussion of the results focuses on how canister thermal performance is affected by free convection in the liquid PCM and void heat transfer. Characterizing these effects is important for interpreting the relationship between ground-based canister performance (in 1-g) and expected on-orbit performance (in micro-g). Void regions accentuate canister hot spots and temperature gradients due to their large thermal resistance. Free convection reduces the extent of PCM superheating and lowers canister temperatures during a portion of the PCM thermal charge period. Surprisingly small differences in canister thermal performance result from operation on the ground and operation on-orbit. This lack of a strong gravity dependency is attributed to the large contribution of container walls in overall canister energy redistribution by conduction.

Kerslake, Thomas W.↗

NASA NTRS1996

Investigation of Drop Formation by a Vortex Ring in Microgravity

An investigation of drop formation by a vortex ring propagating through one or more fluid interfaces in microgravity is described. The main goal of the research is to determine the dynamics of drop formation by vortical flows in the capillary limit with large density change across the intel-face. Dimensional analysis shows that in microgravity experiments the capillary limit can be studied using a relatively large vortex ring diameter to facilitate experimental characterization of the interaction. Results obtained in density matched systems are reviewed to illustrate the complex nature of these interactions.

Bernal, Luis P.↗

NASA NTRS2015

Numerical Calibration of Mass Flow Plug for Inlet Testing

A simple control volume model has been developed to calculate the discharge coefficient through a mass flow plug (MFP) and validated with a calibration experiment. The maximum error of the model within the operating region of the MFP is 0.54%. The control volume analysis developed work is comprised of a sequence of flow calculations through the MFP. The model uses the MFP geometry and operating pressure and temperature to couple continuity, momentum, energy, an equation of state, and wall shear. The discharge coefficient calculation also includes the effects of boundary layer growth, including the reduction in cross-sectional flow area as characterized by the boundary layer displacement thickness. The last calculation in the sequence uses an integral method to calculate the growth of the boundary layer, from which the displacement thickness is then determined. The result of these successive calculations is an accurate one-dimension model of the velocity, pressure, and temperature through the MFP. For comparison, a computational fluid dynamic (CFD) calibration is shown, which when compared to the presented numerical model, had a lower accuracy with a maximum error of 1.35% in addition to being slower by a factor of 100."

Flow Measurement↗

NASA NTRS2024

Wind Tunnel Test of A Scale Model of A Venus Probe to Determine Aeroacoustics Environment

The Zephyr probe for NASA’s DAVINCI project is being designed to fly to Venus and collect measurements to characterize the Venusian atmosphere while it descends towards the surface. Despite a slow descent speed as the probe approaches the surface, the very dense atmosphere means the vibro-acoustic environment that the probe must withstand could be very harsh. A wind tunnel test campaign was conducted to characterize the surface-pressure fluctuations (acoustics) on the external surface of the probe during the descent. The goal was to provide forcing functions for vibro-acoustic analysis of all instruments inside the probe. A 25% scale-model of the Zephyr probe was manufactured, instrumented with 18 microphones, and tested in two wind tunnels located in the Fluid Mechanics Lab at NASA Ames Research Center at velocities ranging from 13 m/s to 48 m/s. Trip strips were added to the model to ensure a turbulent boundary layer on the model. Microphones were located appropriately to provide spectra of pressure fluctuations in regions with different flow characteristics as well as for calculating various two-point statistics. The acoustic spectra measured in the wind tunnel tests were scaled up to flight-scale using the estimated flight trajectory information. Besides fluctuating surface-pressure measurements, hot-film velocity measurements as well as smoke-laser flow visualization were conducted to better understand the flow around the probe. Lastly, several different geometry configurations were tested to see whether any reduction in acoustic levels could be achieved, but none of the configurations that were tested offered significant improvements. The flow visualization showed 3 primary flow regimes on the model: an attached turbulent boundary layer on the front of the model, a region of separated flow upstream of the flared lip, and a large, separated wake at the rear of the model. The acoustic spectra generally show three different shapes corresponding to these flow regions, with the highest levels seen at the rear of the model, and directly in front of the drag plate. The scaled overall levels of pressure fluctuations were found to be high: in the range of 130dB to 155dB.

planetary probe↗

DOE OSTI2023

Analysis of gas storage and transport in Eagle Ford shale using pressure pulse decay measurements with He, Kr and CO 2

Detailed characterization of gas transport and storage in low-permeability and organic-rich shales is associated with an array of challenges due to the complex morphology of the pore space, representing a broad range of pore sizes, combined with the heterogeneous fabric of the shale matrix. These factors, and their interplay during gas transport and sorption, complicate a) the analysis of shale samples at the laboratory scale (~ up to a ft. In length), and b) the prediction of natural gas production and carbon sequestration potential at larger scales. Here, in this work, tandem experiments with inert (helium – He) and adsorbing (krypton - Kr and carbon dioxide - CO 2 ) gases were performed and analyzed to develop an efficient workflow for characterizing and modeling transport and sorption at the laboratory scale. In particular, pressure pulse-decay (PPD) measurements were conducted on an Eagle Ford shale core sample at room temperature using He, Kr, and CO 2 . PPD measurements with He (a non-sorbing gas) were employed to probe the overall porosity, including natural fractures, microcracks, mesopores, and micropores. A triple-porosity model (TPM) was adopted to interpret the gas transport in the shale sample: The pore space is represented by three interacting continua, including macropores (larger fractures), mesopores (including microcracks), and micropores. To facilitate the application of the TPM, a modified analytical approach is introduced to extract effective transport parameters (in terms of the characteristic time for transport at relevant porosity levels) directly from the PPD measurements with He. To validate the modeling approach, model parameters extracted from two He PPD measurements are demonstrated to provide excellent agreement with a 3rd He PPD measurement performed at a higher pressure. The effective transport parameters, extracted from the He experiments, were subsequently converted for application to the Kr and CO 2 PPD experiments, by accounting for relevant transport modes and differences in fluid properties. Excess adsorption isotherms were extracted from the equilibrium pressures of the Kr and CO 2 PPD experiments using the He pore volume as a baseline. These adsorption isotherms were then integrated into the TPM to predict combined gas transport and sorption for Kr and CO 2 , with transport coefficients translated from the He measurements. The predictions for Kr and CO 2 are demonstrated to be in excellent agreement with the experimental observations. This, in turn, demonstrates that the proposed analytical approach provides for an effective characterization of mass transfer rates in shales, that can be applied directly in a TPM representation of mass transfer and sorption.

58 GEOSCIENCES↗

DOE OSTI2024

A Simulated Evaluation of Powder Flowability Through a Partially Obstructed Consumable in Blown Powder Directed Energy Deposition Systems

Abstract In the interest of continued industrialization of metal additive manufacturing in modern production environments, cost is often referenced as a primary deterrent to new adopters. Conventional economic models for additive systems, processes, and supply chains often focus on specific process applications with little generalizability, or they neglect significant costs associated with production such as machine maintenance and consumable part replacement. Compounding the latter issue are substantial knowledge gaps in consumable part wear characterization for additive and other convergent manufacturing systems. In coaxial blown powder directed energy deposition systems, gas atomized metal powder is wasted during material deposition at a rate that is partly dependent on present wear phenomena in a consumable nozzle housed in the cladding head assembly. The price and lead time required to replace the nozzle incentivizes its reuse even when visibly worn. Often this initiates a process quality decline in the form of underbuilt geometry and internal defects due to losses in powder catchment efficiency. While depositing H13 steel using a hybrid manufacturing machine tool equipped with such a deposition system, a unique partial clog with a bridge-like structure formed at the consumable nozzle exit when supporting argon gas flows failed mid-process. To further understand coaxial multi-phase powder flow in the event of support gas failure, a computational fluid dynamics simulation is tailored to relevant process parameters, H13 powder material profile, and machine operator observations collected after the incident. The resulting differences in powder flow compared to control gas flow parameters is presented and discussed. The powder flowability and performance of the clogged nozzle is then assessed by using an optical profilometer to extract the profile of the clog and recreate the clog geometry within the simulation environment. In past work this simulation has been experimentally validated for a 316L steel powder material profile and used specifically for analyzing powder stream geometry and catchment efficiency. After the initial powder flow characterization, the clog is removed, and the nozzle is reprofiled. After removing the obstructing clog, the newly unobstructed nozzle geometry, the original off the shelf nozzle geometry, and additional nozzle profiles exploring different consumable refurbishment strategies are reevaluated in the simulation. Powder catchment efficiency for all variant nozzle geometries and relevant flow variables are compared and discussed, along with potential mitigation strategies for optimizing powder flowability with worn consumables. This work expands on the known morphology of blown powder obstructions and wear defects present in consumable coaxial nozzles while discussing pragmatic simulation driven responses to unanticipated subsystem failure in hybrid manufacturing machining platforms.

DeWitte, Lisa↗

DOE OSTI2023

Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting

Laser melting, such as that encountered during additive manufacturing, produces extreme gradients of temperature in both space and time, which in turn influence microstructural development in the material. Qualification and model validation of the process itself and the resulting material necessitate the ability to characterize these temperature fields. However, well established means to directly probe the material temperature below the surface of an alloy while it is being processed are limited. To address this gap in characterization capabilities, a novel means is presented to extract subsurface temperature-distribution metrics, with uncertainty, from in situ synchrotron X-ray diffraction measurements to provide quantitative temperature evolution data during laser melting. Temperature-distribution metrics are determined using Gaussian process regression supervised machine-learning surrogate models trained with a combination of mechanistic modeling (heat transfer and fluid flow) and X-ray diffraction simulation. The trained surrogate model uncertainties are found to range from 5 to 15% depending on the metric and current temperature. The surrogate models are then applied to experimental data to extract temperature metrics from an Inconel 625 nickel superalloy wall specimen during laser melting. The maximum temperatures of the solid phase in the diffraction volume through melting and cooling are found to reach the solidus temperature as expected, with the mean and minimum temperatures found to be several hundred degrees less. The extracted temperature metrics near melting are determined to be more accurate because of the lower relative levels of mechanical elastic strains. However, uncertainties for temperature metrics during cooling are increased due to the effects of thermomechanical stress.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Ducted Assembly Steady-State Heat Transfer Software (DASSH)

The Ducted Assembly Steady-State Heat transfer software (DASSH) is being developed at Argonne National Laboratory to perform a steady-state thermal fluids calculation to determine the coolant flow and temperature distribution for a hexagonal reactor core configuration with ducted assemblies. DASSH is intended to be used in the early stages of the reactor design process when assembly components can be undefined or are undergoing considerable design changes. DASSH provides a rapid assessment of the temperature and flow distribution to allow quick characterization of the system and identification of problem areas. This document is a guide for DASSH users. It summarizes the core capabilities of DASSH and highlights differences between DASSH and SE2-ANL. Instructions for obtaining and installing DASSH are provided along with some guidelines and recommendations for newer Python users. It covers the structure of the input file, provides directions for running DASSH, describes the various output files produced by the code, and provides instructions for visualizing data. Examples demonstrating various DASSH options are included. DASSH is under active development, so it is anticipated that this guide will grow and evolve as the code is updated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Model-based quantification of margins and uncertainties in metal additive manufacturing for process design and qualification

Laser powder bed fusion (LPBF) Additive Manufacturing (AM) has the potential to enable the production of components with novel designs and material properties unachievable otherwise. However, process repeatability is a challenge, making qualification ill-defined and greatly reducing the utility of what could be an important manufacturing technology. In this work, a combination of modeling, uncertainty quantification (UQ), and experimentation are used in an effort to predict and bound the range of possible outcomes of the LPBF process. Quantities of interest predicted are melt pool dimensions, microstructure features, and mechanical distortions. A combination of high fidelity thermal-fluid models, microstructure growth models, and reduced fidelity, rapid thermal and mechanical models are used. Uncertainty propagation techniques are used to predict probability distributions of quantities of interest from estimates of process uncertainties. Repeated experiments are done to quantify observed probability distributions and compared to predicted distributions to determine if predictions are precise and accurate. Novel modeling methods are microstrucutre characterization techniques are also discussed. It is found that high fidelity models do a generally good job bounding experimentally observed melt pool morphologies for both bead-on-plate and powder bed cases. Microstructure models are able to bound a number of experimentally observed microstructure statistics, but with low precision due to challenges with calibrating the microstructure growth model parameters. A developed modified inherent strain distortion model does not accurately predict observed distortions. A lumped laser distortion model shows promise in being both accurately and precisely bounding observed outcomes from the deflection comb build, but requires further evaluation on more builds and geometries.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Photogeologic mapping of Meridiani Sinus region from Mariner 6 and 7 imagery

Photogeologic mapping of Mariner photographs characterizes major stratigraphic units of the Martian equatorial region. The low resolution photomosaic ship across Meridiani Sinus Deucalionus Regio is divided into regional map units based on albedo and crater density. High resolution frames reveal map units defined by varying surface texture, crater densities, and degree of crater sharpness. Mariner photographs provide clear evidence of eolian action and channelization by fluid flow.

Dehon, R. A.↗

NASA NTRS1997

Noise and Dynamical Pattern Selection in Solidification

The overall goal of this project was to understand in more detail how a pattern-forming system can adjust its spacing. "Pattern-forming systems," in this context, are nonequilibrium contina whose state is determined by experimentally adjustable control parameter. Below some critical value of the control system then has available to it a range of linearly stable, spatially periodic steady states, each characterized by a spacing which can lie anywhere within some band of values. These systems like directional solidification, where the solidification front is planar when the ratio of growth velocity to thermal gradient is below its critical value, but takes on a cellular shape above critical. They also include systems without interfaces, such as Benard convection, where it is the fluid velocity field which changes from zero to something spatially periodic as the control parameter is increased through its critical value. The basic question to be addressed was that of how the system chooses one of its myriad possible spacings when the control parameter is above critical, and in particular the role of noise in the selection process. Previous work on explosive crystallization had suggested that one spacing in the range should be preferred, in the sense that weak noise should eventually drive the system to that spacing. That work had also suggested a heuristic argument for identifying the preferred spacing. The project had three main objectives: to understand in more detail how a pattern-forming system can adjust its spacing; to investigate how noise drives a system to its preferred spacing; and to extend the heuristic argument for a preferred spacing in explosive crystallization to other pattern-forming systems.

Kurtze, Douglas A.↗

NASA NTRSDate not supplied

Investigation of Liquid Fuel Refill Dynamics in a Rotating Detonation Combustor using Megahertz Planar Laser-Induced Fluorescence

Direct imaging of liquid fuel injection is performed within an optically accessible rotating detonation combustor (RDC) using planar laser-induced fluorescence (PLIF) to spatio-temporally resolve the highly dynamic spray characteristics at rates up to 1 MHz. The RDC is operated on air and hydrogen to sustain a stable, cyclically propagating detonation wave with cycle periods of up to ∼250 μs. One of the hydrogen fuel injection sites is replaced with a liquid jet to introduce a diesel spray as a fuel surrogate to enable tracer-free fluorescence excitation using the 355 nm third-harmonic output of a burst-mode Nd:YAG laser. The time-resolved PLIF measurements reveal the evolution of the highly unsteady spray, including the dwell period after the arrival of the detonation wave, the jet recovery, breakup and entrainment into the supersonic crossflow of air, propagation into the detonation chamber, and interaction with the detonation wave. Following passage of the detonation wave, the spray characteristics reveal significant changes in the momentum flux ratio between the liquid and air streams, altering the jet trajectory and temporarily halting fuel delivery to the detonation channel. This temporary cessation of fuel spray injection into the combustor is quantified, along with the fill rate as a function of time. As the injection system recovers, the fuel spray eventually returns to a quasi-steady position prior to the arrival of the detonation wave, allowing qualitative comparisons with theoretical jet trajectories for a range of air mass-flux conditions. These data, enabled by ultra-high-speed PLIF imaging, represent some of the first detailed measurements for characterizing and quantifying the interactions of liquid jets and detonations in an operating RDC.

Propulsion↗

NASA NTRS1990

Characterization of blood drawn rapidly for use in blood volume expansion studies: An animal model for simulated weightlessness

It was demonstrated that up to 8ml of blood can be drawn from donar rats without significantly increasing volume and stress sensitive hormones, and thus can be used for volume expansion studies. Infusion of whole blood allows more physiological changes that can be seen with volume expansion by saline or other ionic solutions. The infusion of whole blood to induce hypervolemia may provide an improved model to study the fluid balance and control mechanisms operative in weightlessness. Blood samples were drawn as quickly as possible from femoral artery catheters chronically implanted in Sprague Dawley rats and analyzed for hematocrit, plasma sodium, potassium, osmolality, corticosterone, epinepherine, norepinephrine, and vasopressin. The levels were found to be comparable to those of normal rats.

Chenault, V. Michelle↗

DOE OSTI2022

Development of an Integrated Electro-Hydraulic Machine to Electrify Off-highway Vehicles

Electrification of off-highway vehicles is notoriously challenging due to extreme power density requirements. This paper proposes and develops an axial flux machine integrated with a hydraulic pump to realize a single modular, electro-hydraulic machine to electrify off-highway vehicle implements. This integrated machine eliminates redundant bearings, couplings, and shaft seals, re-uses surfaces, and enables direct cooling of the electric machine with the hydraulic fluid, to significantly increase power density. Three popular axial flux machine variants are first compared using an FEA-based design optimization approach. The single rotor, single stator variant is identified to be the most promising for integration with the hydraulic pump. Next, a multi-physics framework of the complete integrated hydraulic pump and axial flux machine is developed to characterize the design space. The results indicate promising potential for this concept to realize efficiency over 85% and power density over 5kW/kg for the complete machine (electric machine, hydraulic pump, and thermal management system), while utilizing conventional materials (thin gauge silicon steel, N45 magnets, and enamelled copper wire). Furthermore, a prototype axial flux machine has been experimentally characterized and integrated with a hydraulic pump to demonstrate the integrated electro-hydraulic machine concept.

33 ADVANCED PROPULSION SYSTEMS↗