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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Predictive machine learning approaches for the microstructural behavior of multiphase zirconium alloys

Abstract Zirconium alloys are widely used in harsh environments characterized by high temperatures, corrosivity, and radiation exposure. These alloys, which have a hexagonal closed packed (h.c.p.) structure thermo-mechanically degrade, when exposed to severe operating environments due to hydride formation. These hydrides have a different crystalline structure, than the matrix, which results in a multiphase alloy. To accurately model these materials at the relevant physical scale, it is necessary to fully characterize them based on a microstructural fingerprint, which is defined here as a combination of features that include hydride geometry, parent and hydride texture and crystalline structure of these multiphase alloys. Hence, this investigation will develop a reduced order modeling approach, where this microstructural fingerprint is used to predict critical fracture stress levels that are physically consistent with microstructural deformation and fracture modes. Machine Learning (ML) methodologies based on Gaussian Process Regression, random forests, and multilayer perceptrons (MLP) were used to predict material fracture critical stress states. MLPs, or neural networks, had the highest accuracy on held-out test sets across three predetermined strain levels of interest. Hydride orientation, grain orientation or texture, and hydride volume fraction had the greatest effect on critical fracture stress levels and had partial dependencies that were highly significant, and in comparison hydride length and hydride spacing have less effects on fracture stresses. Furthermore, these models were also used accurately predicted material response to nominal applied strains as a function of the microstructural fingerprint.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Active motion of multiphase oil droplets: emergent dynamics of squirmers with evolving internal structure

Synthetic soft matter systems, when driven beyond equilibrium by active processes, offer the potential to achieve dynamical states and functions of a complexity found in living matter. Emulsions offer the basis of a simple yet versatile system for identification of the physicochemical principles underlying active soft matter, but how multiple internal phases within emulsion droplets (e.g., Janus morphologies) organize to impact emergent dynamics is not understood. Here, we create multiphase oil droplets with ultralow interfacial tensions but distinct viscosities, and drive them into motion in aqueous micellar solutions. Preferential solubilization of select components of the oil both drives the droplet motion and yields a progression of internal phase morphological states with distinct symmetries. In this work, we find the active droplets to exhibit five dynamical states during morphogenesis. By quantifying microscopic flow fields, we show that it is possible to map the diverse droplet behaviors to squirmer models of spherical microswimmers in Stokes flow, thus showing that multiphase droplets offer the basis of a versatile platform with which to study and engineer the hydrodynamics of microswimmers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A physics-constrained neural network for multiphase flows

The present study develops a physics-constrained neural network (PCNN) to predict sequential patterns and motions of multiphase flows (MPFs), which includes strong interactions among various fluid phases. To predict the order parameters, which locate individual phases in the future time, a neural network (NN) is applied to quickly infer the dynamics of the phases by encoding observations. The multiphase consistent and conservative boundedness mapping algorithm (MCBOM) is next implemented to correct the predicted order parameters. This enforces the predicted order parameters to strictly satisfy the mass conservation, the summation of the volume fractions of the phases to be unity, the consistency of reduction, and the boundedness of the order parameters. Then, the density of the fluid mixture is updated from the corrected order parameters. Finally, the velocity in the future time is predicted by another NN with the same network structure, but the conservation of momentum is included in the loss function to shrink the parameter space. The proposed PCNN for MPFs sequentially performs (NN)-(MCBOM)-(NN), which avoids nonphysical behaviors of the order parameters, accelerates the convergence, and requires fewer data to make predictions. Numerical experiments demonstrate that the proposed PCNN is capable of predicting MPFs effectively.

Mechanics↗
DOE OSTI2021

Velocity structure functions in multiphase turbulence: interpreting kinematics of Hα filaments in cool-core clusters

ABSTRACT The central regions of cool-core galaxy clusters harbour multiphase gas, with gas temperatures ranging from $10$ to $10^7\, \mathrm{K}$. Feedback from active galactic nuclei jets prevents the gas from undergoing a catastrophic cooling flow. However, the exact mechanism of this feedback energy input is unknown, mainly due to the lack of velocity measurements of the hot-phase gas. However, recent observations have measured the velocity structure functions (VSFs) of the cooler molecular (${\sim} 10\, \mathrm{K}$) and Hα filaments (${\sim} 10^4\, \mathrm{K}$) and used them to indirectly estimate the motions of the hot phase. In the first part of this study, we conduct high-resolution (3843–15363 resolution elements) simulations of homogeneous isotropic subsonic turbulence, without radiative cooling. We analyse the second-order velocity structure functions (VSF2) in these simulations and study the effects of varying spatial resolution, the introduction of magnetic fields, and the effect of projection along the line of sight (LOS) on it. In the second part of the study, we analyse high-resolution (7683 resolution elements) idealized simulations of multiphase turbulence in the intracluster medium from the companion study Mohapatra et al. We compare the VSF2 for both the hot ($T\sim 10^7\, \mathrm{K}$) and cold ($T\sim 10^4\, \mathrm{K}$) phases and find that their amplitude depends on the density contrast between the phases. They have similar scaling with separation, but introducing magnetic fields steepens the VSF2 of only the cold phase. We also find that projection along the LOS steepens the VSF2 for the hot phase and mostly flattens it for the cold phase.

Mohapatra, Rajsekhar (ORCID:0000000216007552)↗
DOE OSTI2022

Effects of Carbonic Acid-Rock Interactions on CO2/Brine Multiphase Flow Properties in the Upper Minnelusa Sandstones

Summary Carbon dioxide (CO2) injection into a deep saline aquifer can dissolve into formation brine and generate carbonic acid. The resulting acid can drive fluid-rock geochemical reactions. The impact of these fluid-rock geochemical reactions on porosity, permeability, and multiphase flow responses is relevant to the determination of CO2 storage capacity of deep saline aquifers. In this research, carbonic acid flooding experiments were performed on core samples consisting of poorly sorted, quartz-rich sand with laminated bedding from a possible CO2 storage target in northwest Wyoming. Complementary pre- and post-injection porosity and permeability, thin-section, Brunauer-Emmett-Teller (BET) surface area, mercury intrusion capillary pressure (MICP), and time-domain nuclear magnetic resonance (TD-NMR) measurements were conducted. Overall, both core porosity and permeability increased after a 7-day carbonic acid injection, from 6.2 to 8.4% and 1.6 to 3.7 md, respectively. We attributed these changes to carbonate mineral dissolution, which was evidenced by the effluent brine geochemistry, pore-throat size distribution (PTSD), and BET surface area. To be more specific, within the more-permeable section of core samples containing larger pore size, the permeability increment is apparent due to dolomite mineral grains and cements dissolution. However, for the lower-permeability section corresponding to the smaller pore size, mineral precipitation possibly lessened dissolution effects, leading to insignificant petrophysical properties changes. Consequently, the observed heterogeneous carbonic acid-rock interactions resulted in alterations of CO2/brine relative permeability (i.e., the initial CO2 saturation decreased and the CO2 flow capacity was enhanced). This research provides a fundamental understanding regarding effects of fluid-rock reactions on changes in static and multiphase flow properties of eolian sandstones, which lays the foundation for more accurate prediction/simulation of CO2 injection into deep saline aquifers.

Engineering↗
DOE OSTI2020

Using density functional theory to construct multiphase equations of state: tin as an example

We present a general methodology for using density functional theory (DFT) calculations as a basis for constructing multiphase equations of state (EOS). Focusing on tin as an example, we discuss the full process of generating a tabular EOS, starting from first-principles calculations and arriving at a full EOS in agreement with existing experimental data. We begin by describing DFT calculations for the five solid phases and liquid phase of tin, including cold curve, phonon, and DFT-based molecular dynamics calculations. We then discuss methods for incorporating DFT results into materials models used in OpenSesame, the program used to create a full tabular multiphase EOS. Next, we outline a general strategy for adjusting model parameters in OpenSesame to fit to a variety of experimental data, including isobaric data, isothermal data, shock data, solid-solid phase boundary measurements, and measurements of the melt curve. We end with a discussion of the advantages of using DFT data as a foundation for EOS generation and discuss potential strategies for automated EOS generation based on the fitting process highlighted in this work.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Synthetic Absorption Lines from Simulations of Multiphase Gas in Galactic Winds

Supernova-driven galactic winds are multiphase streams of gas that are often observed flowing at a range of velocities out of star-forming regions in galaxies. In this study, we use high-resolution 3D simulations of multiphase galactic winds modeled with the hydrodynamics code Cholla to investigate the connection between numerical studies and observations. Using a simulated interaction between a hot $T$ ~ 10 4 K supernova-driven wind and a cool $T$ ~ 10 7 K cloud of interstellar material, we create mock observables, including the optical depth ($\tau$) and covering fraction ($C$ $f$ ) of six commonly observed ions (Si II , C II , Si IV , C IV , N V , and O VI ) as a function of gas velocity. We compare our mock observables to surveys of galactic winds in the literature, finding good agreement with velocities and profiles of the low ions. We then compute "empirical" values for the optical depth and covering fraction following observational techniques and compare them to the values calculated directly from the simulation data. We find that the empirically computed values tend to underestimate the "true" value of $\tau$ for ions with high optical depth and overestimate the "true" value of $\tau$ for ions with low optical depth relative to the simulated data. In conclusion, the empirically estimated covering fractions match our direct calculations very well for the low-ionization ions; for the high-ionization ions, the empirical covering fractions underestimate the directly computed values by up to ~40%.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Mixing of cryogenic fluids and predicted detonation properties for multiphase liquid oxygen and liquid hydrogen

The mixing and explosion of LOX and LH sub 2 is a concern for Space Transportation System operations. To understand this problem, cryogenic mixing is experimentally studied by pouring 1,2,2 trichloro 2,1,1 trifluoroethane (Freon 113) into LN sub 2, LN sub 2 into LH sub 2, and LH sub 2 into into LN sub 2 in a 1 m by 15 cm cylindrical glass vessel. Data from these experiments is compared with previous studies and a hypothesis is advanced that LOX/LH sub 2 mixing will result in a complex, heterogenous, multiphase aggregation including LOX, SOX, LH sub 2, and VH sub 2 using the multiphase hypothesis. Visual and x ray observations of the process and mass measurements are reported.

Bishop, C. V.↗
NASA NTRS1988

Mixing and Demixing Processes in Multiphase Flows With Application to Propulsion Systems

A workshop on transport processes in multiphase flow was held at the Marshall Space Flight Center on February 25 and 26, 1988. The program, abstracts and text of the presentations at this workshop are presented. The objective of the workshop was to enhance our understanding of mass, momentum, and energy transport processes in laminar and turbulent multiphase shear flows in combustion and propulsion environments.

Decker, Rand↗
NASA NTRS1989

Turbulent multiphase flows

Measurements and predictions of the structure of several multiphase flows are considered. The properties of dense sprays near the exits of pressure-atomizing injectors and of noncombusting and combusting dilute dispersed flows in round-jet configurations are addressed. It is found that the properties of dense sprays exhibit structure and mixing properties similar to variable-density single-phase flows at high Reynolds numbers within the atomization regime. The degree of development and turbulence levels at the injector exit have a surprisingly large effect on the structure and mixing properties of pressure-atomized sprays, particularly when the phase densities are large. Contemporary stochastic analysis of dilute multiphase flows provides encouraging predictions of turbulent dispersion for a wide variety of jetlike flows, particle-laden jets in gases and liquids, noncondensing and condensing bubbly jets, and nonevaporating, evaporating, and combusting sprays.

Faeth, G. M.↗
NASA NTRS1989

Constitutive Relationships and Models in Continuum Theories of Multiphase Flows

In April, 1989, a workshop on constitutive relationships and models in continuum theories of multiphase flows was held at NASA's Marshall Space Flight Center. Topics of constitutive relationships for the partial or per phase stresses, including the concept of solid phase pressure are discussed. Models used for the exchange of mass, momentum, and energy between the phases in a multiphase flow are also discussed. The program, abstracts, and texts of the presentations from the workshop are included.

Decker, Rand↗
NASA NTRS1990

Low energy gamma ray attenuation in multiphase water

A gauging system is proposed to enable monitoring of slush density, solid-liquid interface, and slush level as well as its flow rate. It is based on the principle that the electromagnetic radiation mass attenuation coefficient of a multiphase chemical compound is constant for all relative phase concentrations. Results showing the essential constancy of mass attenuation coefficients for single-phase water vapor, liquid water, ice, and multiphase mixtures of water/ice are described.

Singh, Jag J.↗
NASA NTRS1992

Reanalysis of x ray emission from M87 II: Multiphase models

In a previous paper by the authors (hereafter TB), it was shown that the hot intracluster gas around M87 could not be adequately explained in terms of a spherically symmetric, single phase model. It was found that although data from the Einstein satellite High Resolution Imager (HRI), Imaging Proportional Counter (IPC), and Focal Point Crystal Spectrometer (FPCS) could indeed be simultaneously explained by a single phase model, data from the Solid State Spectrometer (SSS) and optically determined mass estimates could not be similarly explained. A qualitative discussion was then given to indicate how the adoption of a specific multiphase model could plausibly improve upon the single phase model, but a detailed discussion was delayed until now. The x ray data is reanalyzed for the gas around M87 in the same spirit as the work in TB. That is, by assuming several cooling flow models, the shortcomings are improved upon. The procedure of TB was adopted and the data reanalyzed in the following manner: a multiphase model is assumed which can compute the surface brightness as seen by HRI and IPC. Also, the line fluxes can be computed of the lines seen by the FPCS and the mass profile after assuming hydrostatic equilibrium. The parameters of the model are then adjusted to fit the data. A check is then made to see whether the resulting model is consistent with the SSS spectrum and the equivalent width of the 7 keV complex of Fe lines as seen by large field of view instruments.

Tsai, John C.↗
NASA NTRS1993

Evidence for a multiphase, inhomogeneous interstellar medium in damped Ly alpha systems

The large optical depth in absorption of the Ly-alpha line in damped Ly-alpha systems implies that the emission line produced by H2 regions is very broad, since the number of diffusions is very large. The emission lines observed in DLy-alpha systems are narrow, a fact that can only be explained if the emission comes from the outer layers alone, or if the interstellar medium (ISM) is clumpy and multiphase. It is shown how discrete, cold H1 clouds embedded in a hot, fully ionized phase, produce narrow lines. This might provide evidence for a supernova remnant SNR-dominated ISM at high redshift, in agreement with the observed metallicity and chemical evolution models. Other high redshift galaxies also offer evidence for such a multiphase, in homogeneous ISM.

Valls-Gabaud, David↗
NASA NTRS1993

Multiphase complete exchange: A theoretical analysis

Complete Exchange requires each of N processors to send a unique message to each of the remaining N-1 processors. For a circuit switched hypercube with N = 2(sub d) processors, the Direct and Standard algorithms for Complete Exchange are optimal for very large and very small message sizes, respectively. For intermediate sizes, a hybrid Multiphase algorithm is better. This carries out Direct exchanges on a set of subcubes whose dimensions are a partition of the integer d. The best such algorithm for a given message size m could hitherto only be found by enumerating all partitions of d. The Multiphase algorithm is analyzed assuming a high performance communication network. It is proved that only algorithms corresponding to equipartitions of d (partitions in which the maximum and minimum elements differ by at most 1) can possibly be optimal. The run times of these algorithms plotted against m form a hull of optimality. It is proved that, although there is an exponential number of partitions, (1) the number of faces on this hull is Theta(square root of d), (2) the hull can be found in theta(square root of d) time, and (3) once it has been found, the optimal algorithm for any given m can be found in Theta(log d) time. These results provide a very fast technique for minimizing communication overhead in many important applications, such as matrix transpose, Fast Fourier transform, and ADI.

Bokhari, Shahid H.↗
NASA NTRS1994

An application of miniscale experiments on Earth to refine microgravity analysis of adiabatic multiphase flow in space

Adiabatic two-phase flow is of interest to the design of multiphase fluid and thermal management systems for spacecraft. This paper presents original data and unifies existing data for capillary tubes as a step toward assessing existing multiphase flow analysis and engineering software. Comparisons of theory with these data once again confirm the broad accuracy of the theory. Due to the simplicity and low cost of the capillary tube experiments, which were performed on earth, we were able to closely examine for the first time a flow situation that had not previously been examined appreciably by aircraft tests. This is the situation of a slug flow at high quality, near transition to annular flow. Our comparison of software calculations with these data revealed overprediction of pipeline pressure drop by up to a factor of three. In turn, this finding motivated a reexamination of the existing theory, and then development of a new analytical and is in far better agreement with the data. This sequence of discovery illustrates the role of inexpensive miniscale modeling on earth to anticipate microgravity behavior in space and to complete and help define needs for aircraft tests.

Rothe, Paul H.↗
NASA NTRS1994

Multiphase gas in quasar absorption-line systems

In the standard model for H I Lyman-limit (LL) quasar absorption-line systems, the absorbing matter is galactic disk and halo gas, heated and photoionized by the metagalactic radiation field produced by active galaxies. In recent Hubble Space Telescope (HST) observations (Reimers et al. 1992; Vogel & Reimers 1993; Reimers & Vogel 1993) of LL systems along the line of sight to the quasar HS 1700+6416, surprisingly high He I/H I ratios and a wide distribution of column densities of C, N, and O ions are deduced from extreme ultraviolet absorption lines. We show that these observations are incompatible with photoionization equilibrium by a single metagalactic ionizing background. We argue that these quasar absorption systems possess a multiphase interstellar medium similar to that of our Galaxy, in which extended hot, collisionally ionized gas is responsible for some or all of the high ionization stages of heavy elements. From the He/H ratios we obtain -4.0 less than or = log U less than or = -3.0, while the CNO ions are consistent with hot gas in collisional ionization equilibrium at log T = 5.3 and (O/H) = -1.6. The supernova rate necessary to produce these heavy elements and maintain the hot-gas energy budget of approximately 10(exp 41.5) ergs/s is approximately 10(exp -2)/yr, similar to that which maintains the 'three-phase' interstellar medium in our own Galaxy. As a consequence of the change in interpretation from photoionized gas to a multiphase medium, the derived heavy-element abundances (e.g., O/C) of these systems are open to question owing to substantial ionization corrections for unseen C V in the hot phase. The metal-line ratios may also lead to erroneous diagnostics of the shape of the metagalactic ionizaing spectrum and the ionizing parameter of the absorbers.

Giroux, Mark L.↗