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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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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Designing and transforming yield-stress fluids

We review progress in designing and transforming multi-functional yield-stress fluids and give a perspective on the current state of knowledge that supports each step in the design process. We focus mainly on the rheological properties that make yield-stress fluids so useful and the trade-offs which need to be considered when working with these materials. Thinking in terms of "design with" and "design of' yield-stress fluids motivates how we can organize our scientific understanding of this field. "Design with" involves identification of rheological property requirements independent of the chemical formulation, e.g. for 3D direct-write printing which needs to accommodate a wide range of chemistry and material structures. "Design of includes microstructural considerations: conceptual models relating formulation to properties, quantitative models of formulation-structureproperty relations, and chemical transformation strategies for converting effective yield-stress fluids to be more useful solid engineering materials. Finally, future research directions are suggested at the intersection of chemistry, soft-matter physics, and material science in the context of our desire to design useful Theologically-complex functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Molecular speciation controls arsenic and lead bioaccessibility in fugitive dusts from sulfidic mine tailings

Communities nearby mine wastes in arid and semi-arid regions are potentially exposed to high concentrations of toxic metal(loid)s from fugitive dusts deriving from impoundments. To assess the relation between potentially lofted particles and human health risk, we studied the relationship between pharmacokinetic bioaccessibility and metal(loid) molecular speciation for mine tailings dust particulate matter (PM), with elevated levels of arsenic and lead (up to 59 and 34 mmol kg -1 , respectively), by coupling in vitro bioassay (IVBA) with X-ray absorption spectroscopy (XAS). Mine tailing efflorescent salts (PM ES ) and PM from the surface crust (0–1 cm, PM SC ) and near surface (0–25 cm) were isolated to <10 μm and <150 μm effective spherical diameter (PM 10 and PM 150 ) and reacted with synthetic gastric and lung fluid for 30 s to 100 h to investigate toxic metal(loid) release kinetics. Bioaccessible (BAc) fractions of arsenic and lead were about 10 and 100 times greater in gastric than in lung fluid simulant, respectively, and 10–100% of the maximum gastric BAc from PM 10 and PM 150 occurred within 30 s, with parabolic dissolution of fine, highly-reactive particles followed by slower release from less soluble sources. Evaporite salts were almost completely solubilized in gastric-fluid simulants. Arsenate within jarosite and sorbed to ferrihydrite, and lead from anglesite, were identified by XAS as the principal contaminant sources in the near surface tailings. In the synthetic lung fluid, arsenic was released continuously to 100 h, suggesting that residence time in vivo must be considered for risk determination. Analysis of pre- and post-IVBA PM indicated the release of arsenic in lung fluid was principally from arsenic-substituted jarosite, whereas in synthetic gastric fluid arsenic complexed on ferrihydrite surfaces was preferentially released and subsequently repartitioned to jarosite-like coordination at extended exposures. Lead dissolved at 30 s was subsequently repartitioned back to the solid phase as pyromorphite in phosphate rich lung fluid. The bioaccessibility of lead in surface tailings PM was limited due to robust sequestration in plumbojarosite. Kinetic release of toxic elements in both synthetic biofluids indicated that a single IVBA interval may not adequately describe release dynamics.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

Phase-field modeling of rate-dependent fluid-driven fracture initiation and propagation

The rate-dependent behavior associated with deformation and fracturing of materials, such as natural rocks, poses significant challenges for modeling. In addition to the complications of the viscoelastic response, the speed of fracture propagation reflects micromechanical mechanisms in the fracture process zone(FPZ). In order to represent these complicated behaviors, a thermodynamically consistent, rate-dependent fracture model is required. Based on rigorous thermodynamic principles, we derive a rate-dependent phase-field mechanical model coupled with single-phase fluid flow in both the matrix and the fracture. The model is guaranteed to satisfy energy conservation during fracture propagation. Here, the system of equations is solved using the introduced solution procedure and a novel preconditioner that accounts for the complex fluid-structure interaction. The proposed phase-field model is tested against several benchmark problems on solid-fluid coupling, fluid-driven fracture propagation and rate-dependent viscoelastic deformation. The model serves as a strong basis for investigating rate-dependent fracturing experiments and for making predictions of material behaviors under new conditions.

42 ENGINEERING↗
NASA NTRSDate not supplied

Fluid-Structure Interaction Simulations of the ASPIRE SR01 Supersonic Parachute

High-fidelity computational fluid dynamics (CFD) simulations have so far only played exploratory and supporting roles in the study and qualification of parachutes for planetary entry. The last few years have seen the maturation of coupled computational methods that are capable of modeling the complex fluid-structure interactions between a parachute canopy and the supersonic flow in the wake of an entry vehicle in flight conditions. One of the primary goals of these methods is to predict the peak opening load experienced by the parachute during inflation. The Launch, Ascent, and Vehicle Aerodynamics (LAVA)team is developing efficient, high-fidelity numerical methods to perform such challenging fluid-structure interaction simulations. A loose coupling approach is used to advance the solutions of a Cartesian ghost cell immersed boundary method CFD solver and a finite element computational structural dynamics (CSD) solver in space and time. The coupled solver is employed to simulate the ASPIRE SR01 flight test, where a build-to-print version of the Mars Science Laboratory parachute was inflated in supersonic conditions in the upper terrestrial atmosphere. The simulations conducted in the current paper predict a peak opening load that is within 10% of that from the flight test. Grid convergence with respect to the volume and structural domains is demonstrated, and less than 1% variation in the peak opening load is predicted between all grid resolutions.

ARMD↗
DOE OSTI2022

Hyperuniform Active Chiral Fluids with Tunable Internal Structure

Large density fluctuations observed in active systems and hyperuniformity are two seemingly incompatible phenomena. However, the formation of hyperuniform states has been recently predicted in nonequilibrium fluids formed by chiral particles performing circular motion with the same handedness. In this work, we report evidence of hyperuniformity realized in a chiral active fluid comprised of pear-shaped Quincke rollers of arbitrary handedness. We show that hyperunifonnity and large density fluctuations, triggered by dynamic clustering, coexist in this system at different length scales. The system loses its hyperuniformity as the curvature of particles' motion increases, transforming them into localized spinners. Our results experimentally demonstrate a novel hyperuniform active fluid and provide new insights into an interplay between chirality, activity, and hyperuniformity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1977

Construction bidding cost of KSC's space shuttle facilities

The bidding cost of the major Space Transportation System facilities constructed under the responsibility of the John F. Kennedy Space Center (KSC) is described and listed. These facilities and Ground Support Equipment (GSE) are necessary for the receiving, assembly, testing, and checkout of the Space Shuttle for launch and landing missions at KSC. The Shuttle launch configuration consists of the Orbiter, the External Tank, and the Solid Rocket Boosters (SRB). The reusable Orbiter and SRB's is the major factor in the program that will result in lowering space travel costs. The new facilities are the Landing Facility; Orbiter Processing Facility; Orbiter Approach and Landing Test Facility (Dryden Test Center, California); Orbiter Mating Devices; Sound Suppression Water System; and Emergency Power System for LC-39. Also, a major factor was to use as much Apollo facilities and hardware as possible to reduce the facilities cost. The alterations to existing Apollo facilities are the VAB modifications; Mobile Launcher Platforms; Launch Complex 39 Pads A and B (which includes a new concept - the Rotary Service Structure), which was featured in ENR, 3 Feb. 1977, 'Hinged Space Truss will Support Shuttle Cargo Room'; Launch Control Center mods; External Tank and SRB Processing and Storage; Fluid Test Complex mods; O&C Spacelab mods; Shuttle mods for Parachute Facility; SRB Recovery and Disassembly Facility at Hangar 'AF'; and an interesting GSE item - the SRB Dewatering Nozzle Plug Sets (Remote Controlled Submarine System) used to inspect and acquire for reuse of SRB's.

Brown, Joseph Andrew↗
DOE OSTI2021

Critical analysis of velocimetry methods for particulate flows from synthetic data

Particle tracking methods that extract high-fidelity particle velocity data from high speed video of particle laden flows is a common experimental technique applied to chemical processes. These measurements are used to better understand the motion of particles and fluids in complex systems and create data against which computational models are validated. However, the methods, codes, and experimental setups all have limitations. It is imperative that practitioners verify the methods and their implementation as well as understand the limitations of experimental setups. This work focuses on quantifying the visible depth of field in a high particle concentration fluidized bed. Following a precedent set by the particle imaging velocimetry community, a particle velocity field is manufactured using a computational fluid dynamics and discrete element method simulation. Photo realistic high-speed videos are rendered based on the simulated data using the three-dimensional creation software Blender. Particle velocities are extracted from the synthetic high-speed videos using three variants of Particle Tracking Velocimetry and Optical Flow Velocimetry methodologies. Here, the tracked results are then compared to the known solution, quantifying the error associated with the assumed visible depth. The results indicate that at depth of one particle diameter, all three particle tracking codes give accurate measurements, largely within 5%. However, the error increases when the full bed video measurements are compared to the known solution at one particle diameter, i.e., mimicking a validation study. Finally, for some statistics the constant depth assumption only increases the error slightly, for others significantly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A gradient-based deep neural network model for simulating multiphase flow in porous media

We report simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment-related activities. The numerical simulators used for modeling such processes rely on spatial and temporal discretization of the governing mass and energy balance partial-differential equations (PDEs) into algebraic systems via finite-difference/volume/element methods. These simulators usually require dedicated software development and maintenance, and suffer low efficiency from a runtime and memory standpoint for problems with multi-scale heterogeneity, coupled-physics processes or fluids with complex phase behavior. Therefore, developing cost-effective, data-driven models can become a practical choice, and in this work, we choose deep learning approaches as they can handle high dimensional data and accurately predict state variables with strong nonlinearity. In this paper, we describe a gradient-based deep neural network (GDNN) constrained by the physics related to multiphase flow in porous media. We tackle the nonlinearity of flow in porous media induced by rock heterogeneity, fluid properties, and fluid-rock interactions by decomposing the nonlinear PDEs into a dictionary of elementary differential operators. We use a combination of operators to handle rock spatial heterogeneity and fluid flow by advection. Since the augmented differential operators are inherently related to the physics of fluid flow, we treat them as first principles prior knowledge to regularize the GDNN training. We use the example of pressure management at geologic CO 2 storage sites, where CO 2 is injected in saline aquifers and brine is produced, and apply GDNN to construct a predictive model that is trained with physics-based simulation data and emulates the physics process. We demonstrate that GDNN can effectively predict the nonlinear patterns of subsurface responses, including the temporal and spatial evolution of the pressure and saturation plumes. We also successfully extend the GDNN to convolutional neural network (CNN), namely gradient-based CNN (GCNN), and validate its capability to improve the prediction accuracy. GDNN has great potential to tackle challenging problems that are governed by highly nonlinear physics and enable the development of data-driven models with higher fidelity.

42 ENGINEERING↗
NASA NTRS1980

In vitro Ca-45/++/ uptake and exchange by otoconial complexes in high and low K/+/Na/+/ fluids

Recently, data have been accumulating to indicate that saccular and utricular otoconial complexes of the gravity receptor organs are dynamic and interact constantly with their environment. This study investigates the possibility that the ionic composition of the surrounding fluid influences calcium ion binding and release, and explores the importance of the K(+)/Na(+) ratio. Two in-vitro methods were developed, the first of which employed artificial endolymph and perilymph while ionically balanced fluids in which only the K(+)/Na(+) was altered were used in the second. The ability of rat complexes to take up Ca-45(++) during incubation with these fluids was assessed using liquid scintillation spectrometry. In vitro uptake of Ca-45(++) was greater in fluids with a high K(+)/Na(+) ratio than in fluids in which the ratio was low. The ability of the complexes to take up Ca-45(++) appeared to decline with age.

Ross, M. D.↗
DOE OSTI2025

Validation of Pronghorn for Natural-Circulation Molten Salt Loops

This paper presents the development and validation of a high-fidelity thermal-hydraulic model of a molten salt natural circulation flow loop, designed for integration within a digital twin framework. The study evaluates the performance of Idaho National Laboratory’s Pronghorn against experimental data from Texas A&M University Molten Salt Flow Loop (MSFL) four Hitec-salt test benchmark data. Natural circulation of high-Prandtl-number fluids exhibits complex, counter-intuitive flow patterns that make pointwise thermocouple readings unreliable. Experimental work at TAMU’s MSFL provides benchmark data, including flow visualization at a test-section and centerline steady-state temperature measurements along the loop. Validation includes four single-phase natural circulation test cases with Hitec salt. Key metrics include flow profile agreement and steady-state temperature accuracy. Pronghorn results for two-dimensional single-phase agree qualitatively with the experimental flow profile. This paper illustrates the importance of Computational Fluid Dynamics (CFD) in elucidating the behavior of high-Prandtl-number thermal-hydraulics, along with how misleading centerline temperature measurements can be. Pronghorn reproduces the axial and radial stratification that makes single thermocouple readings unreliable. Future research will focus on reduced-order modeling techniques to enable rapid simulation suitable for real-time digital twin applications. The validated cases provide a basis for developing reduced-order surrogates aimed at real-time digital-twin applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Numerical Simulation and Experimental Comparison of System Analysis Module 1D Mixing Model for Cold Shock Transients in the Gallium Thermal-Hydraulic Mixing Facility

Abstract Liquid metals are being investigated as coolants in many advanced reactor designs because of their high thermal conductivity and effectiveness at high temperatures. However, they often pose challenges to reactor operation and safety because of the complex thermal mixing and stratification in the plenum of pool-type reactor designs. The advanced system analysis code System Analysis Module (SAM) currently under development at Argonne National Laboratory aims to develop and implement thermal mixing models to accurately capture these complex thermal fluid behaviors. In this study, the SAM thermal mixing model was compared against experimental data from the Gallium Thermal-Hydraulic Experiment facility, a scaled liquid metal test facility that uses gallium as a surrogate fluid to investigate the stratification and thermal mixing of low-Prandtl-number fluids in the upper plenum of a liquid metal-cooled reactor. Two cold shock transient cases were used: one with stable stratified flow (Ri = 32) and one with stronger thermal mixing (Ri = 0.5). The resultant temperatures were then compared with the experimental temperatures over the entire plenum to assess the ability of the mixing models to capture the thermal behavior and to better correspond mixing parameters to various flow scenarios. Generally, the zero-dimensional mixing model was more capable of capturing the bulk temperature of the component modeled assuming that an accurate mass flow rate was provided, but it was inherently unable to capture thermal gradients in space. The one-dimensional mixing model was capable of capturing that the thermal gradients provided accurate selection of the mixing coefficients. Further, the temperature at the outlet junction was compared over time for each of the mixing models with the recorded experimental temperature. The implemented mixing models demonstrated the ability to effectively capture the overall thermal behavior for stronger mixing scenarios but struggled with more stably stratified flows. It was found that a system analysis code's covering of the entire range of different operating conditions still remains a challenging task, and it is suggested that further model and closure improvements are necessary to accurately capture complex thermal mixing and stratification phenomena.

stratification↗
NASA NTRS2021

Chapter 8: Fluids: liquid crystals—self-assembly of the superlarge and superweak active clothing

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. The attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.8 from NASA/CP-20205010493.

Soft matter↗
DOE OSTI2020

Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules

Redoxmers are electrochemically active organic molecules storing charge and energy in electrolyte fluids circulating through redox flow batteries (RFBs). Such molecules typically have solvent-repelling cores and solvent-attracting pendant groups introduced to increase solubility in liquid electrolytes. These two features can facilitate nanoscale aggregation of the redoxmer molecules in crowded solutions. In some cases, this aggregation leads to the emergence of continuous networks of solute molecules in contact, and the solution becomes microscopically heterogeneous. In this study, we used small-angle X-ray scattering (SAXS) and molecular dynamics modeling to demonstrate formation of such networks and examine structural factors controlling this self-assembly. We also show that salt ions become excluded from these solute aggregates into small pockets of electrolytes, where these ions strongly associate. This confinement by exclusion is also likely to occur to charged redoxmer molecules in a “sea” of neutral precursors coexisting in the same solution. Here, we demonstrate that the decay lifetime of the confined charged molecules in such solutions can increase several fold compared to dilute solutions. We attribute this behavior to a “microreactor effect” on reverse reactions of the confined species during their decomposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Closed-Loop Control of Active Nematic Flows

Stabilizing and shaping autonomous flows of active fluids is a fundamental challenge and a prerequisite for applications. We embed a light-responsive microtubule-based nematic in a proportional-integral control loop that adjusts the applied light intensity in response to real-time measurements of the spatially averaged flow speed. The self-regulating hardware-software-wetware system maintains a target flow speed against external or internal perturbations, including protein aging and aggregation, sample-to-sample variability, and temperature variation. Varying the controller’s gains reveals antagonistic roles between feedback and intrinsic processes, leading to nontrivial dynamics observed in fluctuation spectra. In particular, oscillations emerge from the interplay between the controller, motor binding kinetics, and active hydrodynamic relaxation. Accounting for the underlying binding timescale, our coarse-grained model and nematohydrodynamics simulations corroborate these observations. This work provides insight into the coupled dynamics of controlled active matter, laying the foundation for spatiotemporal patterning of active stress to generate and stabilize new dynamical configurations.

Active nematics↗
DOE OSTI2019

A hybrid discrete bubble-lattice Boltzmann–discrete element model for gas-charged sediments

In this paper, we present a hybrid discrete bubble-lattice Boltzmann–discrete element modelling framework for simulating gas-charged sediments, especially in the seabed. A discrete bubble model proposed in chemical engineering is adapted in the coupled discrete element/lattice Boltzmann method to model the migration of gas bubbles in saturated sediments involving interactions between gas bubbles and fluid/solid phases. Surface tension is introduced into the discrete bubble model in this work, so that it can handle the complex gas–fluid–solid interface. The lattice Boltzmann and discrete element methods are, respectively, employed to simulate fluid flows and mechanical behaviours of sediments. A velocity interpolation-based immerse boundary method is utilised to resolve the coupling between the fluid flow and the solid/gas phase. The proposed technique is preliminarily validated using simulations of bubble migration in fluids, which is followed by high-resolution investigations of the transport of a gas bubble in seabed sediments. Lastly, it is demonstrated that this hybrid method can reproduce, to a certain degree, the characters of bubbles moving in seabed sediment tests.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A structural underpinning of the lower critical solution temperature (LCST) behavior behind temperature-switchable liquids

In this work, we use state-of-the-art X-ray scattering and molecular dynamics to analyze amine-water mixtures that show the unusual lower critical solution temperature (LCST) behavior. The goal is to provide direct experimental evidence for the entropy-lowering molecular cluster formation hypothesized as necessary for LCST behavior. Differential wide-angle X-ray scattering and pair distribution analysis and small-angle X-ray scattering measurements were combined with molecular modeling and liquid-liquid equilibrium measurements, revealing direct experimental evidence for the hypothesis. However, the response of the amine phase to accommodating water is even more subtle than the simple hypothesis suggests, with the formation of robust nanoscale reverse micelles. The techniques developed in this paper can be expected to yield insights in the use of temperature-switchable liquids in solvent extraction and other separations, and the stabilization of organelles in living cells that do not have physical membranes but do require compositional gradients to operate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Viscometric flow of dense granular materials under controlled pressure and shear stress

This study examines the flow of dense granular materials under external shear stress and pressure using discrete element method simulations. In this method, the material is allowed to strain along all periodic directions and adapt its solid volume fraction in response to an imbalance between the internal state of stress and the external applied stress. By systematically varying the external shear stress and pressure, the steady rheological response is simulated for: (1) rate-independent quasi-static flow; and (2) rate-dependent inertial flow. The simulated flow is viscometric with non-negligible first and second normal stress differences. While both normal stress differences are negative in inertial flows, the first normal stress difference switches from negative to slightly positive, and second normal stress difference tends to zero in quasi-static flows. The first normal stress difference emerges from a lack of coaxiality between a second-rank contact fabric tensor and strain rate tensor in the flow plane, while the second normal stress difference is linked to an excess of contacts in the shear plane compared with the vorticity direction. A general rheological model of second order (in terms of strain rate tensor) is proposed to describe the two types of flow, and the model is calibrated for various values of interparticle friction from simulations on nearly monodisperse spheres. The model incorporates normal stress differences in both regimes of flow and provides a complete viscometric description of steady dense granular flows.

42 ENGINEERING↗