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At least 523 records · Page 29

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DOE OSTI2023

Imaging the breaking of electrostatic dams in graphene for ballistic and viscous fluids

The charge carriers in a material can, under special circumstances, behave as a viscous fluid. Here, in this work, we investigated such behavior by using scanning tunneling potentiometry to probe the nanometer-scale flow of electron fluids in graphene as they pass through channels defined by smooth and tunable in-plane p-n junction barriers. We observed that as the sample temperature and channel widths are increased, the electron fluid flow undergoes a Knudsen-to-Gurzhi transition from the ballistic to the viscous regime characterized by a channel conductance that exceeds the ballistic limit, as well as suppressed charge accumulation against the barriers. Our results are well modeled by finite element simulations of two-dimensional viscous current flow, and they illustrate how Fermi liquid flow evolves with carrier density, channel width, and temperature.

Science & Technology - Other Topics↗

DOE OSTI2020

Fundamental Understanding of Methane-Carbon Dioxide-Water (CH 4 -CO 2 - H 2 O) Interactions in Shale Nanopores under Reservoir Conditions (Quarterly Report)

Shale is characterized by the predominant presence of nanometer-scale (1-100 nm) pores. The behavior of fluids in those pores directly controls shale gas storage and release in shale matrix and ultimately the wellbore production in unconventional reservoirs. Recently, it has been recognized that a fluid confined in nanopores can behave dramatically differently from the corresponding bulk phase due to nanopore confinement. CO 2 and H 2 O, either preexisting or introduced, are two major components that coexist with shale gas (predominately CH 4 ) during hydrofracturing and gas extraction. Note that liquid or supercritical CO 2 has been suggested as an alternative fluid for subsurface fracturing such that CO 2 enhanced gas recovery can also serve as a CO 2 sequestration process. Limited data indicate that CO 2 may preferentially adsorb in nanopores (particularly those in kerogen) and therefore displace CH 4 in shale. Similarly, the presence of water moisture seems able to displace or trap CH 4 in shale matrix. Therefore, fundamental understanding of CH 4 -CO 2 -H 2 O behavior and their interactions in shale nanopores is of great importance for gas production and the related CO 2 sequestration. This project focuses on the systematic study of CH 4 -CO 2 -H 2 O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.

04 OIL SHALES AND TAR SANDS↗

NASA NTRS1977

Cloud physics laboratory project science and applications working group

The conditions of the expansion chamber under zero gravity environment were simulated. The following three branches of fluid mechanics simulation under low gravity environment were accomplished: (1) oscillation of the water droplet which characterizes the nuclear oscillation in nuclear physics, bubble oscillation of two phase flow in chemical engineering, and water drop oscillation in meteorology; (2) rotation of the droplet which characterizes nuclear fission in nuclear physics, formation of binary stars and rotating stars in astrophysics, and breakup of the water droplet in meteorology; and (3) collision and coalescence of the water droplets which characterizes nuclear fusion in nuclear physics and processes of rain formation in meteorology.

Hung, R. J.↗

NASA NTRS1998

Microgravity Science Laboratory (MSL-1)

The MSL-1 payload first flew on the Space Shuttle Columbia (STS-83) April 4-8, 1997. Due to a fuel cell problem, the mission was cut short, and the payload flew again on Columbia (STS-94) July 1-17, 1997. The MSL-1 investigations were performed in a pressurized Spacelab module and the Shuttle middeck. Twenty-nine experiments were performed and represented disciplines such as fluid physics, combustion, materials science, biotechnology, and plant growth. Four accelerometers were used to record and characterize the microgravity environment. The results demonstrate the range of quality science that can be conducted utilizing orbital laboratories in microgravity.

Robinson, M. B.↗

NASA NTRS1982

Analysis of volatile metabolites in biological fluids as indicators of prodromal disease condition

The volatile profile cannot be defined as a single class of substances, rather it is a broad spectrum of materials of different polarities characterized by having a boiling-point in the low to medium range (up to approximately 300 C) and the fact that the compounds are suitable for gas chromatography without derivatization. The organic volatile profiles are very complex mixtures of metabolic byproducts, intermediates, and terminal products of enzymatic degradations composed mainly of alcohols, ketones, aldehydes, pyrazines, sulfides, isothiocyanates, pyrroles, and furans. The concentration of organic volatiles in biological fluids covers a wide range with many important components present at trace levels. The complexity of the organic volatile fraction requires the use of capillary columns for their separation.

Zlatkis, A.↗

NASA NTRS2004

Droplet-surface Impingement Dynamics for Intelligent Spray Design

VanderWal, Randy L.↗

NASA NTRS2004

Droplet-Surface Impingement Dynamics for Intelligent Spray Design

Spray cooling has high potential in thermal management and life support systems by overcoming the deleterious effect of microgravity upon two-phase heat transfer. In particular spray cooling offers several advantages in heat flux removal that include the following: 1) By maintaining a wetted surface, spray droplets impinge upon a thin fluid film rather than a dry solid surface; 2. Most heat transfer surfaces will not be smooth but rough. Roughness can enhance conductive cooling, aid liquid removal by flow channeling; and 3. Spray momentum can be used to a) substitute for gravity delivering fluid to the surface, b) prevent local dryout and potential thermal runaway and c) facilitate liquid and vapor removal. Yet high momentum results in high We and Re numbers characterizing the individual spray droplets. Beyond an impingement threshold, droplets splash rather than spread. Heat flux declines and spray cooling efficiency can markedly decrease. Accordingly we are investigating droplet impingement upon a) dry solid surfaces, b) fluid films, c) rough surfaces and determining splashing thresholds and relationships for both dry surfaces and those covered by fluid films. We are presently developing engineering correlations delineating the boundary between splashing and non-splashing regions. Determining the splash/non-splash boundary is important for many practical applications. Coating and cooling processes would each benefit from near-term empirical relations and subsequent models. Such demonstrations can guide theoretical development by providing definitive testing of its predictive capabilities. Thus, empirical relations describing the boundary between splash and non-splash are given for drops impinging upon a dry solid surface and upon a thin fluid film covering a similar surface. Analytical simplification of the power laws describing the boundary between the splash and non-splash regions yields insight into the engineering parameters governing the splash and non-splash outcomes of the fluid droplets. The power law correlation is shown separating the splashing versus non-splashing regions as developed for droplets impinging upon a dry solid surface. Splashing upon a dry surface is reasonably described by Ca greater than 0.85, reflecting the competing roles of surface tension and viscosity. The power law correlation is shown separating the splashing versus non-splashing regions as developed for droplets impinging upon a thin fluid film covering the solid surface. Splashing upon a thin fluid film, as described by v (pd/s) greater than 63, is governed by fluid density and surface tension, but is rather independent of viscosity. Finally, the data presented here suggests that a more direct dependence upon the surface tension and viscosity, given a better understanding of their interplay, would allow accurate description of the droplet-surface impacts for more complicated situations involving non-Newtonian fluids, specifically those exhibiting viscoelastic behavior.

Wal, Randy L. Vander↗

NASA NTRS2002

Optical Scattering Characterization for the Glennan Microsystems Microscale Particulate Classifier

Small sensors that are tolerant to mechanically and thermally harsh environments present the possibility for in-situ particle characterization in propulsion, industrial, and planetary science applications. Under a continuing grant from the Glennan Microsystems Initiative to the Microgravity Fluids Physics Branch of the NASA-Glenn Research Center, a Microscale Particle Classifier (MiPAC) instrument is being developed. The MiPAC instrument will be capable of determining the size distribution of airborne particles from about 1 nm to 30 micrometers, and will provide partial information as to the concentration, charge state, shape, and structure of the particles, while being an order of magnitude smaller in size and lighter in weight than presently commercially available instruments. The portion of the instrument that will characterize the nm-range particles will employ electrical mobility techniques and is being developed under a separate grant to Prof. David Pui of the University of Minnesota. The portion of the instrument that will characterize the micrometer-size particles such as dirt, pollens, spores, molds, soot, and combustion aerosols will use light scattering techniques. The development of data analysis techniques to be employed in the light scattering portion of the instrument is covered by this grant.

Lock, James A.↗

DOE OSTI2022

Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis

Mineral dissolution significantly impacts many geological systems. Carbon released by diagenesis, carbon sequestration, and acid injection are examples where geochemical reactions, fluid flow, and solute transport are strongly coupled. The complexity in these systems involves interplay between various mechanisms that operate at timescales ranging from microseconds to years. Current experimental techniques characterize dissolution processes using static images that are acquired with long measurement times and/or low spatial resolution. These limitations prevent direct observation of how dissolution reactions progress within an intact rock with spatially heterogeneous mineralogy and morphology. We utilize microfluidic cells embedded with thin rock samples to visualize dissolution with significant temporal resolution (100 ms) in a large observation window (3 × 3 mm). Here we injected acidic fluid into eight shale samples ranging from 8 to 86 wt % carbonate. The pre- and postreaction microstructures are characterized at the scale of pores (0.1 to 1 µm) and fractures (1 to 1,000 µm). We observe that nonreactive particle exposure, fracture morphology, and loss of rock strength are strongly dependent on both the relative volume of reactive grains and their distribution. Time-resolved images of the rock unveil the spatiotemporal dynamics of dissolution, including two-phase flow effects in real time and illustrate the changes in the fracture interface across the range of compositions. Moreover, the dynamical data provide an approach for characterizing reactivity parameters of natural heterogeneous samples when porous media effects are not negligible. The platform and workflow provide real-time characterization of geochemical reactions and inform various subsurface engineering processes.

58 GEOSCIENCES↗

DOE OSTI2022

Drag reduction and the Vogel exponent of a flexible beam in transient shear flows

Interactions between a flexible beam and a fluid in a channel are of great relevance to biological hairy surfaces, aquatic vegetation, marine life (e.g., fish gills), and many industrial systems alike. While steady state response of a beam to such flows is fairly well-explored, their behavior in the transient regime is not fully understood. Here, a series of numerical simulations are performed to study the laminar Couette flow of an incompressible viscous fluid past an elastic beam in a two-dimensional channel. The flexible beam is perpendicular to the direction of flow, and its base is fixed to the stationary bottom of the channel. We measure the evolution of the Vogel exponent, drag reduction, and reconfiguration number during the transient and steady-state response of the fluid–structure system for different geometrical and physical properties. Our benchmark shows a good agreement between numerical and experimental observations. Our results show that the system's steady-state response at different bulk-fluid velocities can be reproduced by investigating the shear flow response during the transient regime. We define a new variable that characterizes the evolution of the local velocity profile in the proximity of the free end of the beam and use that to characterize the transient-regime response. The analysis yields insight into the competing effects of elasticity of the beam and non-linear flow response.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Extended molecular eigenmodes treatment of dipole–dipole NMR relaxation in real fluids

Traditional models of NMR relaxation fail to account for the complex, multi-exponential behavior of the autocorrelation function in realistic systems characterized by soft-interactions and molecules that are chemically and physically complex. Here, in this study, we describe the relative diffusion of the spin dipoles by means of a Fokker–Planck equation that includes an interaction potential of mean force to account for the response of the physical/chemical environment around the dipoles. By numerically solving the Fokker–Planck equation for the diffusion propagator, we estimate dipole–dipole NMR relaxation for like- and unlike-spin systems via its eigenmode solution. We test the model against molecular simulations of diffusing dipoles with harmonic potentials and also validate using experimental longitudinal relaxation data from real systems, including Gd(III)–aqua and Gd(III)–DO3A–butrol complexes, the latter being an important MRI contrast agent. Using this novel approach, we predict both the inner- and outer-shell contributions to the relaxivity rates with excellent accuracy at frequencies relevant to MRI. We also show that, under the appropriate assumptions, our framework naturally recovers the Bloembergen–Purcell–Pound, the Solomon–Bloembergen–Morgan, and the Hwang–Freed models. Our implementation is general and publicly available for application to a broad range of systems.

Pinheiro dos Santos, Thiago J. [Rice Univ., Housto↗

DOE OSTI2023

Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics

This research program focused on the characterization of both molecular structure and dynamics of aqueous solutions in various metal-organic frameworks (MOFs) and organic polymers that have recently been proposed for applications in water treatment technologies. This was accomplished by integrating ultrafast vibrational spectroscopy and microscopy, which are sensitive to local environments, molecular orientation, and dynamical couplings, with many-body molecular dynamics (MB-MD) simulations, which enable realistic modeling of aqueous systems and porous materials under different thermodynamic conditions. Our studies allowed for identifying the physical mechanisms and characterizing the underlying molecular interactions between water and host materials that determine the adsorption and transport processes of water in various MOFs and β-cyclodextrin polymers – prototypical examples of porous materials and polymers, that have recently been proposed for technological applications in water purification. By combining bulk- and surface-sensitive, spatially resolved ultrafast vibrational spectroscopy with MB-MD simulations, it was possible to gain broad insight into the structure and mobility of water under heterogeneous confinement at various length scales. In particular, measurements of surface- and bulk-sensitive vibrational spectra at single crystal level, integrated with MB-MD simulations were used to characterize domain-specific, structure–binding affinity relationships. Besides providing specific information about the behavior of aqueous solutions in prototypical MOFs and organic polymers for potential applications in water treatment technologies, our studies also provided fundamental insights into the properties of aqueous solutions in confined heterogeneous environments, which have broad implications in many areas, ranging from heterogeneous catalysis to oil recovery, ion transport processes, and reaction-diffusion processes in crowded systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

High-speed compressible flow and other advection-dominated problems of fluid dynamics

Finite element methods are described for modeling high speed compressible flows with strong advection, problems important to aerodynamics. The situations are characterized by high pressure and temperature gradients, transients and the appearance of discontinuities, factors which require mesh refinement during computations. Techniques are developed for temporal and spatial discretization of a model problem. Several observations are made regarding the explicit and implicit features of the calculations, the use of the Lax-Wendroff scheme to produce a mass-matrix for obtaining accurate results for transients, methods of performing stability analyses, and simplification techniques. Examples are provided of solving the nonlinear shallow-water equations and describing compressible flows, particularly transonic flows. Domain splitting is defined for improving the calculations at each time step and in different parts of the flow regime while simultaneously advancing the calculations towards a solution.

Zienkiewicz, O. C.↗

DOE OSTI2022

Design optimization of gap distance for the capillary limitation of a heat pipe with annular-type wick structure

In this study, an experimental investigation was conducted on the rising height and contact angle of fluid in an annular wick-type heat pipe. The annular wick-type heat pipe was characterized by a small gap between the wick structure and tube wall, which compensated for the pressure drop along the porous media and created additional capillary force. To describe and model the advantage of this gap, the rising of a wetting liquid in the gap between a vertical solid plate and a mesh (with a small angle between them) was experimentally measured and analyzed. An additional experiment was performed to investigate the effect of curvature on the capillary rise using tubes and meshes of varying radii. Resultantly, we confirmed that the linear combination of the contact angles of the solid plate and mesh could be applied to calculate the rising height from the Laplace–Young equation. Furthermore, the effect of curvature on the rising height of the liquid was negligible. These results were extended to the investigation of finding the optimal gap distance for the annular wick-type heat pipe by referring to previous studies. We observed that a gap distance of 1.27 mm provided the largest permeability (K) over the effective pore radius (r eff ) value for a heat pipe with ethanol, which in turn resulted in the highest capillary limitation. For a sodium heat pipe, a gap distance of 0.84 mm resulted in the highest capillary limitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Underground Test Area Activity Waste Management Plan; and Attachment 1 Fluid Management Plan for the Underground Test Area Activity

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office initiated the Underground Test Area Activity to characterize the risk posed to human health and the environment as a result of underground nuclear testing activities at the Nevada National Security Site. The UGTA Activity is now administered by the DOE Environmental Management Nevada Program. This document is a revision to NNSA/NSO (2009). The new document and revision number reflect EM Nevada Program as the current UGTA Activity administrator.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Machine learning prediction of self-diffusion in Lennard-Jones fluids

In this work, different machine learning (ML) methods were explored for the prediction of self-diffusion in Lennard-Jones (LJ) fluids. Using a database of diffusion constants obtained from the molecular dynamics simulation literature, multiple Random Forest (RF) and Artificial Neural Net (ANN) regression models were developed and characterized. The role and improved performance of feature engineering coupled to the RF model development was also addressed. The performance of these different ML models was evaluated by comparing the prediction error to an existing empirical relationship used to describe LJ fluid diffusion. It was found that the ANN regression models provided superior prediction of diffusion in comparison to the existing empirical relationships.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Characterization of Safeguards Implementation Schedules for Advanced Reactors

Advanced reactor designs differ from the traditional light-water reactor designs and operational requirements in nearly every facet, including the heat transfer fluids, operating temperatures and pressures, and fuel cycle requirements. To account for these differences, significant effort will be required to ensure appropriate safeguards implementation for US-based reactors intended for global deployment. This is the second in a series of three reports that examine facets of this issue. The first paper (ORNL/TM-2021/2142) examines potential construction schedules for advanced reactors to create a baseline understanding of the timeframes involved. This second report characterizes International Atomic Energy Agency (IAEA) safeguards implementation schedules for potential advanced reactors. Finally, the third report (ORNL/TM-2021/2208) examines existing gaps for safeguards implementation at advanced reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

Characterizing the Influence of Fracture Density on Network Scale Transport

The topology of natural fracture networks is inherently linked to the structure of the fluid velocity field and transport therein. Here we study the impact of network density on flow and transport behaviors. We stochastically generate fracture networks of varying density and simulate flow and transport with a discrete fracture network model, which fully resolves network topology at the fracture scale. We study conservative solute trajectories with Lagrangian particle tracking and find that as fracture density decreases, solute channelization to large local fractures increases, thereby reducing plume spreading. Furthermore, in sparse networks mean particle travel distance increases and local network features, such as velocity zones where flow is counter to the primary pressure gradient, become increasingly important for transport. As the network density increases, network statistics homogenize and such local features have a reduced impact. We quantify local topological influence on transport behavior with an effective tortuosity parameter, which measures the ratio of total advective distance to linear distance at the fracture scale; large tortuosity values are correlated to slow-velocity regions. Additionally, these large tortuosity, slow-velocity regions delay downstream transport and enhance tailing on particle breakthrough curves. Finally, we predict transport with an upscaled, Bernoulli spatial Markov random walk model and parameterize local topological influences with a novel tortuosity parameter. Furthermore, Bernoulli model predictions improve when sampling from a tortuosity distribution, as opposed to a fixed value as has previously been done, suggesting that local network topological features must be carefully considered in upscaled modeling efforts of fracture network systems.

58 GEOSCIENCES↗