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Results for “liquid dynamics”

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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Monte Carlo Approach to Approximating the Effects of Pore Geometry on the Phase Behavior of Soil Freezing

Abstract Freezing in porous media is associated with a host of dynamic phenomena that stem from the presence and mobility of premelted liquid at subzero temperatures. Accurate assessments of the progressive liquid‐ice phase transition is required for predictive models of frost damage, glacier‐till coupling, and many other cold regions processes, as well as for evaluating the capacity for water storage in near‐surface extraterrestrial environments. We use a Monte Carlo approach to sample the pore space in a synthetic 3D packing of poly‐dispersed spherical particles and evaluate local geometrical constraints that allow us to assess changes in the relative proportions of pore fluid and ice. By approximating the phase boundary geometry in fine‐grained pores while considering both the curvature of the liquid‐ice interface and wetting interactions with matrix particles, our model predicts changes in phase equilibrium in granular media over a broad temperature range, where present accounting for the colligative effects of chloride and perchlorate solutes. In addition to formulating the constitutive behavior needed to better understand properties and processes in frozen soils, our results also provide insight into other aspects of phase equilibria in porous media, including the formation of methane hydrates in permafrost and marine sediments, and the partitioning between liquid water and vapor in the vadose zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Real-time mass spectrometric characterization of the solid–electrolyte interphase of a lithium-ion battery

Solid-electrolyte interphase (SEI) is a key component that dictates the performance of most electrochemical devices, but the understanding of its chemistry and structure has been limited by the lack of in-situ tools. In this work, we report SEI live-formation in Li-ion battery under operando condition with liquid secondary ion mass spectrometry (SIMS), which, in combination with molecular dynamics (MD) simulation, presents the first dynamic picture with molecular-accuracy about this key component. Before any interphasial chemistry occurs during the initial charging, an electric double layer forms at the electrode-electrolyte interface via the self-assembly of solvent molecules directed by both Li+ and potential of the electrified surface. Such double layer structure predicts the eventual interphasial chemistries formed from the electrolytes, where the negatively-charged electrode surface repels salt anions from the inner-Helmholtz layer and results in an inner SEI that is thin, dense and inorganic in nature but LiF-depleted. It was this dense layer that exercises the major functions of an interphase, i.e., conducting Li+ but insulating electrons. An outer layer that is electrolyte-permeable and organic-rich appears after formation of the inner SEI. In highly-concentrated electrolyte, the presence of LiF in the inner-SEI is raised due to the high population of salt anions in the double layer. These real-time observations at nano-scale reveal in general sense how an interphase inherits chemistry from inner-Helmholtz layer structure, and establish guidelines in engineering desirable interphases for the future battery chemistries.

Zhou, Yufan↗
DOE OSTI2023

Machine learning interatomic potential for silicon-nitride (Si 3 N 4 ) by active learning

Silicon nitride (Si 3 N 4 ) is an extensively used material in the automotive, aerospace, and semiconductor industries. However, its widespread use is in contrast to the scarce availability of reliable interatomic potentials that can be employed to study various aspects of this material on an atomistic scale, particularly its amorphous phase. In this work, we developed a machine learning interatomic potential, using an efficient active learning technique, combined with the Gaussian approximation potential (GAP) method. Our strategy is based on using an inexpensive empirical potential to generate an initial dataset of atomic configurations, for which energies and forces were recalculated with density functional theory (DFT); thereafter, a GAP was trained on these data and an iterative re-training algorithm was used to improve it by learning on-the-fly. When compared to DFT, our potential yielded a mean absolute error of 8 meV/atom in energy calculations for a variety of liquid and amorphous structures and a speed-up of molecular dynamics simulations by 3–4 orders of magnitude, while achieving a first-rate agreement with experimental results. Our potential is publicly available in an open-access repository.

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

An atomic cluster expansion (ACE) potential for water under extreme conditions

We present a machine learning interatomic potential for water designed to capture its complex multiphase behavior, including both molecular and superionic ice phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to enable high-fidelity molecular dynamics simulations of water under extreme conditions, for pressures up to 100 GPa and for temperatures between 500 and 6000 K. A diverse range of configurations was generated through ab initio molecular dynamics (AI-MD) simulations, covering insulating and superionic ice phases, liquid water, and dissociated plasma phase. We demonstrate that the H 2 O ACE potential accurately reproduces experimental and DFT predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of water, including the transition from molecular fluid to the appropriate solid ice phases, and the superionic ice phases. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of water under extreme thermodynamic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A small-volume, high-throughput approach for surface tension and viscosity measurements of liquid fuels

An ongoing effort looking at bioblendstocks to function as drop-in replacements or blending components for gasoline has identified a large number of candidate fuels. This work documents an approach for rapid screening of candidate fuels using relatively small sample sizes ($\mathcal{O}(\mu\,{\rm l})$) that targets two key physical properties of liquid fuels—surface tension and viscosity. The approach utilizes shape oscillation dynamics of single droplets generated by a piezo-electric device and their decay over time. Strobed imaging of the oscillation process is used along with image processing, edge detection, and data analysis to capture the decay of the oscillation over time. The time constant of the decay process along with oscillation frequency are then used to estimate viscosity and surface tension using a theory for small amplitude droplet oscillations. Measurements are obtained for primary reference fuels (isooctane and n-heptane) as well as candidate fuels from four bio-derived functional groups of interest. Measurement results for surface tension and viscosity are correlated with literature data as well as measurements from standard reference instruments. The measurement results show that the droplet oscillation based approach is capable of reproducing surface tension and viscosity values for the tested fuels within deviations of 7% and 13% respectively from literature data. Results are obtained using an average of 5 µl per fuel within about 20 s, thus demonstrating a small-volume, high-throughput approach that can be used for screening of candidate bioblendstock fuels.

09 BIOMASS FUELS↗
NASA NTRS1986

Theory of Ostwald ripening in a two-component system

When a two-component system is cooled below the minimum temperature for its stability, it separates into two or more immiscible phases. The initial nucleation produces grains (if solid) or droplets (if liquid) of one of the phases dispersed in the other. The dynamics by which these nuclei proceed toward equilibrium is called Ostwald ripening. The dynamics of growth of the droplets depends upon the following factors: (1) The solubility of the droplet depends upon its radius and the interfacial energy between it and the surrounding (continuous) phase. There is a critical radius determined by the supersaturation in the continuous phase. Droplets with radii smaller than critical dissolve, while droplets with radii larger grow. (2) The droplets concentrate one component and reject the other. The rate at which this occurs is assumed to be determined by the interdiffusion of the two components in the continuous phase. (3) The Ostwald ripening is constrained by conservation of mass; e.g., the amount of materials in the droplet phase plus the remaining supersaturation in the continuous phase must equal the supersaturation available at the start. (4) There is a distribution of droplet sizes associated with a mean droplet radius, which grows continuously with time. This distribution function satisfies a continuity equation, which is solved asymptotically by a similarity transformation method.

Baird, J. K.↗
NASA NTRS1987

Dynamics of rotating and oscillating drops

The dynamics of rotation and oscillation is investigated of a freely suspended liquid drop under the influence of surface tension and positioned inside an experimental apparatus by acoustic forces in the low acceleration environment of Spacelab 3. After a drop was observed to be spherical and stably located at the center of the chamber, it was set into rotation or oscillation by acoustic torque or modulated radiation pressure force.

Wang, T. G.↗
NASA NTRS1988

Mass transport phenomena between bubbles and dissolved gases in liquids under reduced gravity conditions

The experimental and analytical work that was done to establish justification and feasibility for a shuttle middeck experiment involving mass transfer between a gas bubble and a liquid is described. The experiment involves the observation and measurement of the dissolution of an isolated immobile gas bubble of specified size and composition in a thermostatted solvent liquid of known concentration in the reduced gravity environment of earth orbit. Methods to generate and deploy the bubble were successful both in normal gravity using mutually buoyant fluids and under reduced gravity conditions in the NASA Lear Jet. Initialization of the experiment with a bubble of a prescribed size and composition in a liquid of known concentration was accomplished using the concept of unstable equilibrium. Subsequent bubble dissolution or growth is obtained by a step increase or decrease in the liquid pressure. A numerical model was developed which simulates the bubble dynamics and can be used to determine molecular parameters by comparison with the experimental data. The primary objective of the experiment is the elimination of convective effects that occur in normal gravity.

Dewitt, Kenneth J.↗
NASA NTRS1988

Planetary environments and the conditions of life

Geophysical models of the first 600 Ma ofthe earth's history following accretion and core formation point to a period of great environmental disequilibrium. In such an environment, the passage of energy from the earth's interior and from the sun through gas-liquid-solid domains and their boundaries with each other generated a dynamically interacting, complex hierarchy of self-organized structures ranging from bubbles at the sea-air interface to tectonic plates. The ability of a planet to produce such a hierarchy is speculated to be a prerequisite to the origin and sustenance of life. The application of this criterion to Mars argues against the origin of Martian life.

Chang, S.↗
NASA NTRS1992

Analysis and testing of propellant feed system priming process

This paper presents the analytical and the experimental results pertaining to the priming process of the propellant feed system with initial line pressures starting from 0 psia and greater. The analytical methods employ the method of characteristics to solve for the one-dimensional liquid transients in the liquid-full segments and the lumped inertia technique to model the dynamics of the partially filled segments or the two-phase segments. The advantages of these methods are (1) fluid compressibility and piping flexibility are accounted for in the solution; and (2) the characteristics method can be used in the solution of a complex system. The analytical results were compared with test results. Excellent correlation was obtained between predictions and test results verifying the essential aspects of the analytical modeling techniques and providing the foundation for analyzing a complicated network system.

Lin, T. Y.↗
NASA NTRS1995

Dynamic Light Scattering With Improved Fiber-Optic Probes

Improved fiber-optic probes developed for use in dynamic light-scattering measurements. Intended for measuring dynamic backscattering of laser light from concentrated suspensions of particles in liquids, for purpose of determining statistical distributions of sizes of particles. Offers advantages of compactness and ruggedness, and more suitable for industrial environments. Probes immersed in suspensions characterized. Associated lasers, photodetectors, and signal-processing circuits located remotely in safer environments, coupled to probes via optical fibers.

Dhadwal, Harbans Singh↗
NASA NTRS2006

Cryogenic Tank Modeling for the Saturn AS-203 Experiment

A computational fluid dynamics (CFD) model is developed for the Saturn S-IVB liquid hydrogen (LH2) tank to simulate the 1966 AS-203 flight experiment. This significant experiment is the only known, adequately-instrumented, low-gravity, cryogenic self pressurization test that is well suited for CFD model validation. A 4000-cell, axisymmetric model predicts motion of the LH2 surface including boil-off and thermal stratification in the liquid and gas phases. The model is based on a modified version of the commercially available FLOW3D software. During the experiment, heat enters the LH2 tank through the tank forward dome, side wall, aft dome, and common bulkhead. In both model and test the liquid and gases thermally stratify in the low-gravity natural convection environment. LH2 boils at the free surface which in turn increases the pressure within the tank during the 5360 second experiment. The Saturn S-IVB tank model is shown to accurately simulate the self pressurization and thermal stratification in the 1966 AS-203 test. The average predicted pressurization rate is within 4% of the pressure rise rate suggested by test data. Ullage temperature results are also in good agreement with the test where the model predicts an ullage temperature rise rate within 6% of the measured data. The model is based on first principles only and includes no adjustments to bring the predictions closer to the test data. Although quantitative model validation is achieved or one specific case, a significant step is taken towards demonstrating general use of CFD for low-gravity cryogenic fluid modeling.

Grayson, Gary D.↗
NASA NTRS2006

Test Capability Enhancements to the NASA Langley 8-Foot High Temperature Tunnel

The NASA Langley 8-Foot High Temperature Tunnel produces true enthalpy environments simulating flight from Mach 4 to Mach 7, primarily for airbreathing propulsion and aerothermal/thermo-structural testing. Flow conditions are achieved through a methane-air heater and nozzles producing aerodynamic Mach numbers of 4, 5 or 7 and have exit diameters of 8 feet or 4.5 feet. The 12-ft long free-jet test section, housed inside a 26-ft vacuum sphere, accommodates large test articles. Recently, the facility underwent significant upgrades to support hydrocarbon fueled scramjet engine testing and to expand flight simulation capability. The upgrades were required to meet engine system development and flight clearance verification requirements originally defined by the joint NASA-Air Force X-43C Hypersonic Flight Demonstrator Project and now the Air Force X-51A Program. Enhancements to the 8-Ft. HTT were made in four areas: 1) hydrocarbon fuel delivery; 2) flight simulation capability; 3) controls and communication; and 4) data acquisition/processing. The upgrades include the addition of systems to supply ethylene and liquid JP-7 to test articles; a Mach 5 nozzle with dynamic pressure simulation capability up to 3200 psf, the addition of a real-time model angle-of-attack system; a new programmable logic controller sub-system to improve process controls and communication with model controls; the addition of MIL-STD-1553B and high speed data acquisition systems and a classified data processing environment. These additions represent a significant increase to the already unique test capability and flexibility of the facility, and complement the existing array of test support hardware such as a model injection system, radiant heaters, six-component force measurement system, and optical flow field visualization hardware. The new systems support complex test programs that require sophisticated test sequences and precise management of process fluids. Furthermore, the new systems, such as the real-time angle of attack system and the new programmable logic controller enhance the test efficiency of the facility. The motivation for the upgrades and the expanded capabilities is described here.

Harvin, S. F.↗
NASA NTRS2008

Computational Investigation of the NASA Cascade Cyclonic Separation Device

Devices designed to replace the absent buoyancy separation mechanism within a microgravity environment are of considerable interest to NASA as the functionality of many spacecraft systems are dependent on the proper sequestration of interpenetrating gas and liquid phases. Inasmuch, a full multifluid Euler-Euler computational fluid dynamics investigation has been undertaken to evaluate the performance characteristics of one such device, the Cascade Cyclonic Separator, across a full range of inlet volumetric quality with combined volumetric injection rates varying from 1 L/min to 20 L/min. These simulations have delimited the general modes of operation of this class of devices and have proven able to describe the complicated vortex structure and induced pressure gradients that arise. The computational work has furthermore been utilized to analyze design modifications that enhance the overall performance of these devices. The promising results indicate that proper CFD modeling may be successfully used as a tool for microgravity separator design.

Hoyt, Nathaniel C.↗
NASA NTRS2026

CFD-Assisted Nodal Modeling of Sloshing in a Cryogenic Propellant Tank

During autogenous pressurization, tank sloshing causes a significant increase in pressurant consumption to maintain constant ullage pressure during draining of the tank. This increase in pressurant consumption is caused by a significant increase in condensation at the liquid-vapor interface. Sloshing strongly affects the liquid side heat transfer coefficient and thereby the condensation rate. Traditionally, sloshing is modeled by CFD code using the VOF (Volume of Fluid) method to track the liquid vapor interface during sloshing. CFD calculations require a very fine grid to accurately compute the heat and mass transfer at the interface. Therefore, computations are time consuming and prohibit performing many parametric studies often needed during the design of a new system. This paper describes an alternative approach by developing a CFD-assisted nodal model to predict system parameters more economically with reasonable accuracy. In this approach, a multi-node model of tank pressurization was developed using GFSSP. A multi-node model was needed to account for stratification. The model computes heat and mass transfer at the interface to calculate the condensation rate. The liquid side heat transfer is computed using the parameters of sloshing dynamics such as frequency, wave amplitude, and interface area. The parameters of sloshing dynamics are computed by the CFD code LOCI-Stream. The model predictions were compared with test data for several cases.

Cryogenic Tank Sloshing↗
NASA NTRS1982

Dynamics of rotating and oscillating free drops

The Dynamics of Rotating and Oscillating Free Drops (DROP) experiment is to be performed using the Drop Dynamics Module (DDM). The main scientific objectives of the DROP experiment are the study of the equilibrium figures of a rotating drop and the study of the large-amplitude oscillations of a liquid drop. The objective of the DROP experiment in relation to the DDM is to establish the advantages of conducting future drops and bubbles experiments in space. The DROP experiment will be subjected to continual to ensure that the experiments are scientifically current and available. The two component experiments (rotation and oscillation) of the DROP experiment have been chosen as the simplest experiments representative of the entire class of drop dynamics experiments. The component experiment on the equilibrium shapes of a rotating liquid drop of a simple liquid is not only an important and interesting experiment in its own right, but is also the simplest gyrostatic experiment that can be performed. In later experiments, more complicated liquids can be used; bubbles can be included; and the dynamics of rotating drops can be studied. This experiment, as it now stands, is an important exercise of the module's ability to provide drop rotation and the requisite science data.

Wang, T. G.↗
NASA NTRS2002

Foam Optics and Mechanics

The Foam Optics and Mechanics (FOAM) project will exploit the microgravity environment to more accurately measure the rheological and optical characteristics of wet aqueous foams. Using both rheology and laser light scattering diagnostics, the goal is to quantify the unusual elastic character of foams in terms of their underlying microscopic structure and dynamics. Of particular interest is determining how the elastic character vanishes, i.e., how the foam 'melts' into a simple viscous liquid, as a function of both increasing liquid content and increasing shear strain rate. The unusual elastic character of foams will be quantified macroscopically by measurement of the shear stress as a function of shear strain rate and of time following a step strain. Such data will be analyzed in terms of a yield stress, shear moduli, and dynamical time scales. Microscopic information about bubble packing and rearrangement dynamics, from which the macroscopic non-Newtonian properties ultimately arise, will be obtained non-invasively by multiple-light scattering: diffuse transmission spectroscopy (DTS) and diffusing wave spectroscopy (DWS). Quantitative trends with materials parameters, most importantly average bubble size and liquid content, will be sought in order to elucidate the fundamental connection between the microscopic structure and dynamics and the macroscopic rheology.

Durian, Douglas J.↗