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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Dilatant hardening of fluid‐saturated sandstone

Abstract The presence of pore fluid in rock affects both the elastic and inelastic deformation processes, yet laboratory testing is typically performed on dry material even though in situ the rock is often saturated. Techniques were developed for testing fluid‐saturated porous rock under the limiting conditions of drained, undrained, and unjacketed response. Confined compression experiments, both conventional triaxial and plane strain, were performed on water‐saturated Berea sandstone to investigate poroelastic and inelastic behavior. Measured drained response was used to calibrate an elasto‐plastic constitutive model that predicts undrained inelastic deformation. The experimental data show good agreement with the model: dilatant hardening in undrained triaxial and plane strain compression tests under constant mean stress was predicted and observed.

Makhnenko, Roman Y.↗
DOE OSTI2016

Multiscale equatorial electrojet turbulence: Energy conservation, coupling, and cascades in a baseline 2-D fluid model

In this paper, progress in understanding the coupling between plasma instabilities in the equatorial electrojet based on a unified fluid model is reported. Simulations with parameters set to various ionospheric background conditions revealed properties of the gradient-drift and Farley-Buneman instabilities. Notably, sharper density gradients increase linear growth rates at all scales, whereas variations in cross-field E × B drift velocity only affect small-scale instabilities. A formalism defining turbulent fluctuation energy for the system is introduced, and the turbulence is analyzed within this framework. This exercise serves as a useful verification test of the numerical simulations and also elucidates the physics underlying the ionospheric turbulence. Various physical mechanisms involved in the energetics are categorized as sources, sinks, nonlinear transfer, and cross-field coupling. The physics of the nonlinear transfer terms is studied to identify their roles in producing energy cascades, which explain the generation of small-scale structures that are stable in the linear regime. The theory of two-step energy cascading to generate the 3 m plasma irregularities in the equatorial electrojet is verified for the first time in the fluid regime. Finally, in addition, the nonlinearity of the system allows the possibility of an inverse energy cascade, potentially responsible for generating large-scale plasma structures at the top of the electrojet as found in different rocket and radar observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

First Principle Estimation of Geochemically Important Transition Metal Oxide Properties: Structure and Dynamics of the Bulk, Surface and Mineral/Aqueous Fluid Interface

Reactions in the mineral surface/reservoir fluid interface control many geochemical processes such as the dissolution and growth of minerals (Yanina and Rosso 2008), heterogeneous oxidation/reduction (Hochella 1990, Brown 2001, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008), and inorganic respiration (Newman 2010). Key minerals involved in these processes are the transition metal oxides and oxyhydroxides (e.g., hematite, Fe2O3, and goethite, FeOOH)(Brown, Henrich et al. 1999, Brown 2001, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008). To interpret and predict these processes, it is necessary to have a high level of understanding of the interactions between the formations containing these minerals and their reservoir fluids. However, these are complicated chemical events occurring under a wide range of T, P, and X conditions and the interpretation is complicated by the highly heterogeneous nature of natural environments (Hochella 1990, Hochella, Lower et al. 2008, Navrotsky, Mazeina et al. 2008) and the electronic and structural complexity of the oxide materials involved(Cox 1992, Kotliar and Vollhardt 2004, Navrotsky, Mazeina et al. 2008). In addition, also because of the complexity of the minerals involved and the heterogeneous nature of natural systems, the direct observation of these reactions at the atomic level is experimentally extremely difficult. Theoretical simulations will provide important support for analysis of the geochemistry of the mineral surface/fluid region as well as provide essential tools to extrapolate laboratory measurements to the field environment.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2014

An operator splitting approach for the interaction between a fluid and a multilayered poroelastic structure

We develop a loosely coupled fluid‐structure interaction finite element solver based on the Lie operator splitting scheme. The scheme is applied to the interaction between an incompressible, viscous, Newtonian fluid, and a multilayered structure, which consists of a thin elastic layer and a thick poroelastic material. The thin layer is modeled using the linearly elastic Koiter membrane model, while the thick poroelastic layer is modeled as a Biot system. We prove a conditional stability of the scheme and derive error estimates. Theoretical results are supported with numerical examples. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1054–1100, 2015

Bukač, Martina↗
DOE OSTI2016

The fluid manifesto: emergent symmetries, hydrodynamics, and black holes

We focus on the question of how relativistic fluid dynamics should be thought of as a Wilsonian effective field theory emerging from Schwinger-Keldysh path integrals. Taking the basic principles of Schwinger-Keldysh formalism seriously, we are led to a series of remarkable statements and conjectures, which we phrase in terms of a broad programme relating relativistic fluid dynamics and topological sigma models. Apart from the intrinsic interest for these ideas from the non-equilibrium field theory viewpoint, we also emphasize its relevance to various fundamental questions in black hole physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

N-particle irreducible actions for stochastic fluids

We construct one- and two-particle irreducible (1PI and 2PI) effective actions for the stochastic fluid dynamics of a conserved density undergoing diffusive motion. We compute the 1PI action in one-loop order and the 2PI action in two-loop approximation. We derive a set of Schwinger-Dyson equations and regularize the resulting equations using Pauli-Villars fields. We numerically solve the Schwinger-Dyson equations for a non-critical fluid. We find that higher-loop effects summed by the Schwinger-Dyson renormalize the non-linear coupling. We also find indications of a diffuson-cascade, the appearance of n-loop correction with smaller and smaller exponential suppression.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Effective field theory of dissipative fluids (II): classical limit, dynamical KMS symmetry and entropy current

Here in this paper we further develop the fluctuating hydrodynamics proposed in a number of ways. We first work out in detail the classical limit of the hydrodynamical action, which exhibits many simplifications. In particular, this enables a transparent formulation of the action in physical spacetime in the presence of arbitrary external fields. It also helps to clarify issues related to field redefinitions and frame choices. We then propose that the action is invariant under a Z2 symmetry to which we refer as the dynamical KMS symmetry. The dynamical KMS symmetry is physically equivalent to the previously proposed local KMS condition in the classical limit, but is more convenient to implement and more general. It is applicable to any states in local equilibrium rather than just thermal density matrix perturbed by external background fields. Finally we elaborate the formulation for a conformal fluid, which contains some new features, and work out the explicit form of the entropy current to second order in derivatives for a neutral conformal fluid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Phase transitions and conductivities of Floquet fluids

We investigate the phase structure and conductivity of a relativistic fluid in a circulating electric field with a transverse magnetic field. This system exhibits behavior similar to other driven systems such as strongly coupled driven CFTs or a simple anharmonic oscillator. We identify distinct regions of fluid behavior as a function of driving frequency, and argue that a “phase” transition will occur. Such a transition could be measurable in graphene, and may be characterized by sudden discontinuous increase in the Hall conductivity. The presence of the discontinuity depends on how the boundary is approached as the frequency or amplitude is dialed. In the region where two solution exists the measured conductivity will depend on how the system is prepared.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Hydrodynamics of simply spinning black holes & hydrodynamics for spinning quantum fluids

We find hydrodynamic behavior in large simply spinning five-dimensional Anti-de Sitter black holes. These are dual to spinning quantum fluids through the AdS/CFT correspondence constructed from string theory. Due to the spatial anisotropy introduced by the angular momentum, hydrodynamic transport coefficients are split into groups longitudinal or transverse to the angular momentum, and aligned or anti-aligned with it. Analytic expressions are provided for the two shear viscosities, the longitudinal momentum diffusion coefficient, two speeds of sound, and two sound attenuation coefficients. Known relations between these coefficients are generalized to include dependence on angular momentum. The shear viscosity to entropy density ratio varies between zero and 1/(4π) depending on the direction of the shear. These results can be applied to heavy ion collisions, in which the most vortical fluid was reported recently. In passing, we show that large simply spinning five-dimensional Myers-Perry black holes are perturbatively stable for all angular momenta below extremality.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

High-order fully implicit solver for all-speed fluid dynamics: AUSM ride from nearly incompressible variable-density flows to shock dynamics

We introduce a novel Newton–Krylov (NK)-based fully implicit algorithm for solving fluid flows in a wide range of flow conditions—from variable density nearly incompressible to supersonic shock dynamics. The key enabling feature of our all-speed solver is the ability to efficiently solve conservation laws by choosing a set of independent variables that produce a well-conditioned Jacobian matrix for the linear iterations of the global nonlinear iterative solver. In particular, instead of choosing to discretize the conservative variables (density, momentum, total energy), which is traditionally used in Eulerian high-speed compressible fluid dynamics, we demonstrate superior performance by discretizing the primitive variables—pressure–velocity–temperature in the very low-Mach flow limits or density–velocity–temperature/entropy in the shock dynamics range. Moreover, our method allows us to avoid direct inversion of the mass matrix in discrete time derivatives, which is usually an additional source for stiffness, especially pronounced when going to very high-order schemes with non-orthogonal basis functions. Here, we show robust solutions obtained for discontinuous finite element discretization up to seventh-order accuracy. Another important aspect of the solution algorithm is the Advection Upstream Splitting Method (AUSM), adopted to compute numerical fluxes within our reconstructed discontinuous Galerkin (rDG) spatial discretization scheme. The use of the low-Mach modification of the hyperbolic flux operator is found to be necessary for enabling robust simulations of very stiff liquids and metals for Mach numbers below M=10 -5 , which is well known to be very computationally challenging for compressible solvers. We demonstrate that our fully implicit rDG-NK solver with the AUSM + -up flux treatment produces efficient and high-resolution numerical solutions at all speeds, ranging from vanishing Mach numbers to transonic and supersonic, without substantial modifications of the solution procedures. (At high speed, we add limiting and use a simpler preconditioning of the Krylov solver.) Numerical examples include nearly incompressible constant-property flow past a backward-facing step with heat transfer, low-Mach variable-property channel flow of water at supercritical state, phase change and melt pool dynamics for laser spot welding and selective laser melting in additive manufacturing, and Mach 3 flow in a wind tunnel with a step.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

A Two-length Scale Turbulence Model for Single-phase Multi-fluid Mixing

A two-length scale, second moment turbulence model (Reynolds averaged Navier-Stokes, RANS) is proposed to capture a wide variety of single-phase flows, spanning from incompressible flows with single fluids and mixtures of different density fluids (variable density flows) to flows over shock waves. The two-length scale model was developed to address an inconsistency present in the single-length scale models, e.g. the inability to match both variable density homogeneous Rayleigh-Taylor turbulence and Rayleigh-Taylor induced turbulence, as well as the inability to match both homogeneous shear and free shear flows. The two-length scale model focuses on separating the decay and transport length scales, as the two physical processes are generally different in inhomogeneous turbulence. This allows reasonable comparisons with statistics and spreading rates over such a wide range of turbulent flows using a common set of model coefficients. The specific canonical flows considered for calibrating the model include homogeneous shear, single-phase incompressible shear driven turbulence, variable density homogeneous Rayleigh-Taylor turbulence, Rayleigh-Taylor induced turbulence, and shocked isotropic turbulence. The second moment model shows to compare reasonably well with direct numerical simulations (DNS), experiments, and theory in most cases. The model was then applied to variable density shear layer and shock tube data and shows to be in reasonable agreement with DNS and experiments. Additionally, the importance of using DNS to calibrate and assess RANS type turbulence models is highlighted.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2020

Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set

This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The problem is organized in three parts that focus on specific aspects: flow and reactive transport (part I), dissolution-driven geometry evolution in two dimensions (part II), and an experimental validation of three-dimensional dissolution-driven geometry evolution (part III). Five codes are used to obtain the solution to this benchmark problem, including Chombo-Crunch, OpenFOAM-DBS, a lattice Boltzman code, Vortex, and dissolFoam. These codes cover a good portion of the wide range of approaches typically employed for solving pore-scale problems in the literature, including discretization methods, characterization of the fluid-solid interfaces, and methods to move these interfaces as a result of fluid-solid reactions. A short review of these approaches is given in relation to selected published studies. Results from the simulations performed by the five codes show remarkable agreement both quantitatively--based on upscaled parameters such as surface area, solid volume, and effective reaction rate--and qualitatively--based on comparisons of shape evolution. This outcome is especially notable given the disparity of approaches used by the codes. Therefore, these results establish a strong benchmark for the validation and testing of pore-scale codes developed for the simulation of flow and reactive transport with evolving geometries. They also underscore the significant advances seen in the last decade in tools and approaches for simulating this type of problem.

58 GEOSCIENCES↗
DOE OSTI2022

TOUGH3-FLAC3D: a modeling approach for parallel computing of fluid flow and geomechanics

The recent development of the TOUGH3 code allows for a faster and more reliable fluid flow simulator. At the same time, new versions of FLAC3D are released periodically, allowing for new features and faster execution. In this paper, we present the first implementation of the coupling between TOUGH3 and FLAC3Dv6/7, maintaining parallel computing capabilities for the coupled fluid flow and geomechanical codes. We compare the newly developed version with analytical solutions and with the previous approach, and provide some performance analysis on different meshes and varying the number of running processors. Finally, we present two case studies related to fault reactivation during CO 2 sequestration and nuclear waste disposal. The use of parallel computing allows for meshes with a larger number of elements, and hence more detailed understanding of thermo-hydro-mechanical processes occurring at depth.

58 GEOSCIENCES↗
DOE OSTI2025

Cohesive instability in elastomers: insights from a crosslinked Van der Waals fluid model

Abstract The resistance to volumetric deformations displayed by polymer networks is largely due to secondary and tertiary interactions between neighboring polymer chains. These interactions are both entropic and enthalpic in nature but are fundamentally different from the entropic forces that resist shearing in these networks. In this paper, we introduce a new depiction of elastomers as a crosslinked Van der Waals fluid. Starting from first principles, we develop constitutive equations that are implemented in a continuum model as well as a discrete network model. Our models predict that the failure of polymer networks may be driven by an instability in the underlying polymer bulk ‘fluid’ or by the breaking of polymer chains, depending on the loading path taken. The results of this study indicate that material failure in elastomers exposed to a purely triaxial state, such as in a poker chip experiment, may be driven by an entirely different mode of instability than those deformed in pure shear, such as in a uniaxial tension experiment.

Lamont, Samuel C.↗
DOE OSTI2018

Reaction Kinetics of CFRP Degradation in Supercritical Fluids

The reaction kinetics models of carbon fiber-reinforced plastic (CFRP) degradation in supercritical fluids were established by analyzing the chain scission reaction of a cross-linked network in CFRP. The effect of reaction time and temperature on the residual resin content from the recycled carbon fiber was investigated. The reaction order of CFRP degradation was estimated, and the reaction rate constant was calculated at different reaction temperatures. Reaction kinetics equations of CFRP degradation in different supercritical fluids were also proposed. Results indicated that CFRP degradation was mainly due to the scission of the C–C, C–O, and –O– bonds in the linear chain segment and of the C–N bond in the cross-linked segment of an epoxy resin cure system. The reaction order was 2 or 2.5. The monofilament tensile strength of recycled carbon fiber in supercritical n-butanol and n-propanol, which had higher degradation reaction rates, decreased by about 2% compared with that of the original carbon fiber.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pressure-Enhanced Transitional Transport of Electronic Fluids in EuFe{sub 2}As{sub 2}

We demonstrate the effect of very high pressure on the pressure-enhanced transitional transport of electronic fluids in EuFe{sub 2}As{sub 2} as well as the frictionless transport of many (condensed) electrons in EuFe{sub 2}As{sub 2} by using the verified absolute reaction approach which is borrowed from the quantum chemistry. Our results demonstrate that tuning of high pressure could enhance the onset temperature of transitional transport of electronic fluids in EuFe{sub 2}As{sub 2} to around 128 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Characterization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@ SiO{sub 2} Core-Shell Structure Composite Magnetic Fluid by Microemulsion Method

Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} composite magnetic fluids were prepared successfully by microemulsion method in this study. Fe{sub 3}O{sub 4} magnetic nanoparticles (Nps) were successfully converted to Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} magnetic Nps by low-temperature low-vacuum oxidation method (LTLV oxidation method), and then coated with silica by the modified Stöber method. The core-shell structure composite magnetic Nps were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), vibrating sample magnetometer (VSM), and transmission electron microscopy (TEM). The results show that the size of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} particles was about 13 nm and that of SiO{sub 2} coating was about 3 nm, and the saturation magnetization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} Nps was 59.12 A m{sup 2}/kg and 35.84 A m{sup 2}/kg, respectively. And the saturation magnetization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} magnetic fluid was 22.91 A m{sup 2}/kg.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

A Simple Kinetic Model for the Phase Transition of the van der Waals Fluid

A simple kinetic model, which is presumably minimum, for the phase transition of the van der Waals fluid is presented. In the model, intermolecular collisions for a dense gas has not been treated faithfully. Instead, the expected interactions as the non-ideal gas effect are confined in a self-consistent force term. Collision term plays just a role of thermal bath. Accordingly, it conserves neither momentum nor energy, even globally. It is demonstrated that (i) by a natural separation of the mean-field self-consistent potential, the potential for the non-ideal gas effect is determined from the equation of state for the van der Waals fluid, with the aid of the balance equation of momentum, (ii) a functional which monotonically decreases in time is identified by the H theorem and is found to have a close relation to the Helmholtz free energy in thermodynamics, and (iii) the Cahn–Hilliard type equation is obtained in the continuum limit of the present kinetic model. Numerical simulations based on the Cahn–Hilliard type equation are also performed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗