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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Density variance dynamics in disparate shock tubes

This report discusses two experiments which investigate thin layer, heavy curtain fragmentation from the perspective of a Reynolds-Averaged mix model, in drastically disparate experimental regimes. The first, the centimeter/millisecond-scale “Horizontal Shock Tube” (HST) is a compressed-gas piston-driven shock tube experiment. The second, the “Multishock thin layer” (Mshock) experiment performed at the National Ignition Facility, is a micrometer/nanosecond-scale laser-driven shock tube experiment. Both are situations in which a heavy plane layer (a ‘curtain’) is initially suspended in a lighter medium. After being shocked from at least one side, the layer translates while its interfaces evolve due to the excitation of the Richtmyer-Meshkov instability at its surfaces. The evolution of density variance, which initially exists only on the surface of the layer, as it comes to encompass the whole layer interior is used as a description of layer fragmentation and dissolution. These experiments have each been simulated in the Los Alamos National Laboratory multi-physics code xRAGE, which includes fundamental hydrodynamics, extended plasma physics and radiation effects which are important to drive the high-energy density experiment, and the Besnard-Harlow-Rauenzahn (BHR) turbulence model. In each, the principal diagnostic for comparison is an experimental metric for the density (co)variance, b, which tracks the moments of the density field at the curtain interfaces and body. Due to experimental constraints in different regimes (i.e. optical diagnostics can be deployed on conventional shock tubes, while the plasma shock tubes must be imaged by x-rays; interfaces can be imposed to specification on laser-driven experiments, which are stored in the solid phase, while conventional experiments have imperfect control of the flow fields which separate the layer, etc.) the experiments are not designed to be perfect scaled cognates of one another. However, despite the separation of six orders of magnitude of scaling in time, and four in space, we are able to demonstrate that the same turbulence model, operating in the same fashion in the same computer code, is able to reproduce results in each experiment, by tracking evolution due to common relevant physics. Additionally, we will present preliminary work toward density variance comparisons in a single-interface Richtmyer-Meshkov configuration, the conventional fluid “Vertical Shock Tube” (VST) experiment, and the Modal Initial Conditions (ModCons) campaign fielded at the OMEGA-EP laser facility.

42 ENGINEERING↗
DOE OSTI2024

Liquid Piston with Spray Cooling Near-Isothermal Compressor

The goal of this project was to prototype and characterize the performance of a liquid-piston spray-cooled gas compressor. The working principle of the compressor enables optimized high-efficiency operation over a very wide range of operating conditions, unlike conventional compressors that are optimized for a narrow range of operating conditions. The compressor technology is suitable for many applications, such as gas pipeline transport, gas storage, and commercial and residential heat pumps. Both physical testing and computational fluid dynamics (CFD) modeling of the processes using the Oak Ridge National Laboratory high-performance computing center were completed. The experimental and CFD studies focused on a near-isothermal liquid-piston compressor (LPC) that uses propylene glycol to compress CO 2 . The first prototype demonstrated isothermal operation during several sequentially executed cycles of CO 2 compression and raised the temperature of the compressed CO 2 by only 2 K, compared with approximately 6 K when the gas was compressed non-isothermally. Isothermal operation was demonstrated at CO 2 flow rates of up to 2 L/min. The second prototype was designed with two compression chambers to allow continuous flow of high-pressure CO 2 . However, the design of the valve train to direct flow between the compression chambers was not sufficient to allow demonstration of CO 2 compression. Numerical simulations of the LPC in which the compression chamber was filled with propylene glycol injected from the bottom inlet were performed using large eddy simulation (LES) with the wall-adapting local eddy-viscosity subgrid-scale model coupled with the multiphase volume of fluid (VOF) model to simulate the transient interface between gas and liquid and to capture the heat and mass transfers within the compression chamber. In this effort, the effects of boundary conditions applied to the LES-VOF calculations (i.e., no wall, an adiabatic wall, and a wall with a heat flux subscribed) on the overall pressure and temperature of the CO 2 gas as well as the transient evolution of flow and heat transfer within the compression chamber were investigated and are discussed in this report. The LES calculation with no wall showed no dynamical flow patterns, and the volume-averaged temperature of CO 2 increased from 305 to 392.7 K, whereas LES calculations with a constant wall temperature or a wall heat flux had similar increases of CO 2 temperatures. The results of the LES simulation using a wall heat flux showed different stages in the compression process and revealed dynamical formation and interaction of CO 2 gas layers and circulation flow patterns within the chamber that contributed to the overall heat transfer between the solid wall, gas, and liquid surface in the compressor. Though an industrial partnership for commercializing the compressor was not secured, the technology was attractive for an industrial partner to use in two research proposals in response to US Department of Energy funding opportunity announcements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Role of Fluid and Temperature in Fracture Mechanics and Coupled THMC Processes for Enhanced Geothermal Systems

The ability to sustain high energy extraction efficiency from Enhanced Geothermal Systems (EGS) is affected by the ability to measure, characterize, and predict the effect of different perturbations that arise from fluid injection rates, fluid temperature, and shut-in conditions on existing and stimulated fracture systems throughout a subsurface reservoir’s lifecycle. The difficulty arises from limited knowledge of the interaction of fluid and temperature driven fractures with frictional interfaces that govern local deformation and frictional behavior in the surrounding rock. Thermo-poro-mechanical coupled processes tend to dominate this interaction and strongly affect the permeability and local stress distributions that impact efficiency and prevent optimal stimulation conditions over multi-decadal time frames.

Pyrak-Nolte, Laura [Purdue Univ., West Lafayette, ↗
DOE OSTI2021

Vortex-sheet modeling of hydrodynamic instabilities produced by an oblique shock interacting with a perturbed interface in the HED regime

In this work, we consider hydrodynamic instabilities produced by the interaction of an oblique shock with a perturbed material interface under high-energy-density (HED) conditions. During this interaction, a baroclinic torque is generated along the interface due to the misalignment between the density and pressure gradients, thus leading to perturbation growth. Our objective is to understand the competition between the impulsive acceleration due to the normal component of the shock velocity, which drives the Richtmyer–Meshkov instability, and the shear flow across the interface due to the tangential component of the shock velocity, which drives the Kelvin–Helmholtz instability, as well as its relation to perturbation growth. Since the vorticity resulting from the shock-interface interaction is confined to the interface, we describe the perturbation growth using a two-dimensional vortex-sheet model. We demonstrate the ability of the vortex-sheet model to reproduce roll-up dynamics for non-zero Atwood numbers by comparing to past laser-driven HED experiments. We determine the dependence of the interface dynamics on the tilt angle and propose a time scaling for the perturbation growth at early time. Eventually, this scaling will serve as a platform for the design of future experiments. This study is the first attempt to incorporate into a vortex-sheet model the time-dependent interface decompression and the deceleration (as well as the corresponding Rayleigh–Taylor instability) arising from laser turn-off.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Measurement of pressure gradients near the interface in the viscous fingering instability

The viscous fingering instability, which forms when a less-viscous fluid invades a more-viscous one within a confined geometry, is an iconic system for studying pattern formation. For both miscible and immiscible fluid pairs the growth dynamics change after the initial instability onset and the global structures, typical of late-time growth, are governed by the viscosity ratio. Here we introduce an experimental technique to measure flow throughout the inner and outer fluids. This probes the existence of a new length scale associated with the local pressure gradients around the interface and allows us to compare our results to the predictions of a previously proposed model for late-time finger growth. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

The influence of the shock-to-reshock time on the Richtmyer–Meshkov instability in reshock

Experiments on the Richtmyer–Meshkov instability (RMI) in a dual driver vertical shock tube (DDVST) are described. An initially planar, stably stratified membraneless interface is formed by flowing air from above and sulfur hexafluoride from below the interface location using the method of Jones & Jacobs ( Phys. Fluids , vol. 9, issue 1997, 1997, pp. 3078–3085). A random three-dimensional, multi-modal initial perturbation is imposed by vertically oscillating the gas column to produce Faraday waves. The DDVST design generates two shock waves, one originating above and one below the interface, with these shocks having independently controllable strengths and interface arrival times. The shock waves have nominal strengths of $M_L=1.17$ and $M_H=1.18$ for the shock wave originating in the light and heavy gas, respectively, with these strengths chosen to result in arrested bulk interface motion following reshock. The influence of the length of the shock-to-reshock time, as well as the order of shock arrival, on the post-reshock RMI is examined. The mixing layer width grows according to $h\propto t^\theta$ , where $\theta _H=0.36\pm 0.018$ (95 %) and $\theta _L=0.38\pm 0.02$ (95 %) for heavy and light shock first experiments, respectively, indicating no strong dependence on the order of shock wave arrival. Volume integrated specific turbulent kinetic energy (TKE) in the mixing layer versus time is found to decay according to $E_{tot}/\bar {\rho }\propto t^p$ with $p_H=-0.823\pm 0.06$ (95 %) and $p_L=-1.061\pm 0.032$ (95 %) for heavy and light shock first experiments, respectively. Notably, the 95 % confidence intervals do not overlap. Analysis on the influence of the shock-to-reshock time on turbulent length scales, transition criteria, spectra and mixing layer anisotropy are also presented.

Ferguson, Kevin (ORCID:0000000166537482)↗
DOE OSTI2023

Insights from high-fidelity modeling of industrial rotary bell atomization

The global automotive industry sprayed over 2.6 billion liters of paint in 2018, much of which through electrostatic rotary bell atomization, a highly complex process involving the fluid mechanics of rapidly rotating thin films tearing apart into micrometer-thin filaments and droplets. Coating operations account for 65% of the energy usage in a typical automotive assembly plant, representing 10,000s of gigawatt-hours each year in the United States alone. Optimization of these processes would allow for improved robustness, reduced material waste, increased throughput, and significantly reduced energy usage. Here, we introduce a high-fidelity mathematical and algorithmic framework to analyze rotary bell atomization dynamics at industrially relevant conditions. Our approach couples laboratory experiment with the development of robust non-Newtonian fluid models; devises high-order accurate numerical methods to compute the coupled bell, paint, and gas dynamics; and efficiently exploits high-performance supercomputing architectures. These advances have yielded insight into key dynamics, including i) parametric trends in film, sheeting, and filament characteristics as a function of fluid rheology, delivery rates, and bell speed; ii) the impact of nonuniform film thicknesses on atomization performance; and iii) an understanding of spray composition via primary and secondary atomization. These findings result in coating design principles that are poised to improve energy- and cost-efficiency in a wide array of industrial and manufacturing settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Variable-density effects in incompressible non-buoyant shear-driven turbulent mixing layers

The asymmetries that arise when a mixing layer involves two miscible fluids of differing densities are investigated using incompressible (low-speed) direct numerical simulations. The simulations are performed in the temporal configuration with very large domain sizes, to allow the mixing layers to reach prolonged states of fully turbulent self-similar growth. Imposing a mean density variation breaks the mean symmetry relative to the classical single-fluid temporal mixing layer problem. Unlike prior variable-density mixing layer simulations in which the streams are composed of the same fluids with dissimilar thermodynamic properties, the density variations are presently due to compositional differences between the fluid streams, leading to different mixing dynamics. Variable-density (non-Boussinesq) effects introduce strong asymmetries in the flow statistics that can be explained by the strongest turbulence increasingly migrating to the lighter fluid side as free-stream density difference increases. Interface thickness growth rates also reduce, with some thickness definitions particularly sensitive to the corresponding changes in alignment between density and streamwise velocity profiles. Additional asymmetries in the sense of statistical distributions of densities at a given position within the mixing layer reveal that fine scales of turbulence are preferentially sustained in lighter fluid, which also is where fastest mixing occurs. These effects influence statistics involving density fluctuations, which have important implications for mixing and more complicated phenomena that are sensitive to the mixing dynamics, such as combustion.

42 ENGINEERING↗
DOE OSTI2023

A sharp immersed method for 2D flow-body interactions using the vorticity-velocity Navier-Stokes equations

Immersed methods discretize boundary conditions for complex geometries on background Cartesian grids. Here, this makes such methods especially suitable for two-way coupled flow-body problems, where the body mechanics are partially driven by hydrodynamic forces. However, for the vorticity-velocity form of the Navier-Stokes equations, existing immersed geometry discretizations for two-way coupled problems only achieve first order spatial accuracy near solid boundaries. Here we introduce a sharp-interface approach based on the immersed interface method to handle the one- and two-way coupling between an incompressible flow and one or more rigid bodies using the 2D vorticity-velocity Navier-Stokes equations. Our main contributions are three-fold. First, we develop and analyze a moving boundary treatment for sharp immersed methods that can be applied to PDEs with implicitly defined boundary conditions, such as those commonly imposed on the vorticity field. Second, we develop a two-way coupling methodology for the vorticity-velocity Navier-Stokes equations based on control-volume momentum balance that does not require the pressure field. Third, we show through extensive testing and validation that our resulting flow-body solver reaches second-order accuracy for most practical scenarios, and provides significant efficiency benefits compared to a representative first-order approach.

42 ENGINEERING↗
DOE OSTI2025

Predictive dynamic wetting, fluid–structure interaction simulations for braze run-out

Brazing and soldering are metallurgical joining techniques that use a wetting molten metal to create a joint between two faying surfaces. Here, the quality of the brazing process depends strongly on the wetting properties of the molten filler metal, namely the surface tension and contact angle, and the resulting joint can be susceptible to various defects, such as run-out and underfill, if the material properties or joining conditions are not suitable. In this work, we implement a finite element simulation to predict the formation of such defects in braze processes. This model incorporates both fluid–structure interaction through an arbitrary Eulerian–Lagrangian technique and free surface wetting through conformal decomposition finite element modeling. Upon validating our numerical simulations against experimental run-out studies on a silver-Kovar system, we then use the model to predict run-out and underfill in systems with variable surface tension, contact angles, and applied pressure. Finally, we consider variable joint/surface geometries and show how different geometrical configurations can help to mitigate run-out. This work aims to understand how brazing defects arise and validate a coupled wetting and fluid–structure interaction simulation that can be used for other industrial problems.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhancing photoionization rate calculations in low-temperature plasmas using spectral methods

Photoionization plays a central role in the development of streamer discharges and other non-equilibrium plasma phenomena. It creates seed electrons, which are essential for positive streamer propagation, allowing the ionization front to move forward. Because of this, accurate modeling of photoionization is very important for predicting streamer behavior and plasma evolution. The photoionization process in air (N 2 – O 2 mixture) is often described by the Zheleznyak model (1982). This model is usually solved through Helmholtz-type equations that approximate the Zheleznyak photoionization model (Zheleznyak et al. 1982) as Partial Differential Equations (PDEs). Conventional numerical methods, such as the Finite Difference Method (FDM) or Finite Volume Method (FVM), are widely used to solve these equations. Although they are prevalent, the computational cost of these methods due to their need for matrix operations and iterative solver is demanding. To address this challenge, this work develops a spectral solver based on the Fast Fourier Transform (FFT) combined with Discrete Cosine Transform (DCT) and Discrete Sine Transform (DST) to calculate the photoionization rate efficiently in an axisymmetric cylindrical domain. This method naturally satisfies the boundary conditions used in the model and converts the PDE into algebraic ones in spectral space. Thus, avoids the need for iterative matrix solvers. When compared with FDM results, it is demonstrated that the new solver not only maintains accuracy, but also reduces the computational cost, showing a performance increase of approximately 100 compared to FDM over a wide range of problem sizes. The method is parallelized using Message Passing Interface (MPI) and has been integrated into a fluid plasma model for streamer simulation. Here, this FFT-based approach provides a fast and reliable alternative for calculating photoionization in fluid models, helping large-scale plasma simulations run faster and efficiently, and allows higher-resolution simulation without extra computational cost.

Axisymmetric system↗
DOE OSTI2023

A thermodynamic model of integrated liquid-to-liquid thermoelectric heat pump systems

Thermoelectric (TE) heat pumps (TEHPs) are advantageous for heating and cooling in various applications because of their modularity and simple design. A TEHP system includes the TE modules with p- and n-type materials bonded to substrates, plus heat exchangers, thermal interfaces to the heat exchangers, and heat transfer fluids. Although modeling an individual TE module has been extensively studied, limited studies have reported performance at the larger system-level. Furthermore, no prior study has addressed the impact of temperature-dependent TE material properties (e.g., electric resistivity, thermal conductivity, and Seebeck coefficient) on overall heat-pump-system-level performance. Here, this work presents a mathematical model for TEHP system performance based on Goldsmid's approach for TE material performance, “effective” TE material properties, Gnielinski's correlation for convective heat transfer, and thermal balance theory for a heat exchange network. This combined approach provides an accurate model of the liquid-to-liquid TEHP system. Three different approaches—one empirical, one based on the manufacturer's specifications, and one drawn from the literature—were then used to determine values for TE material properties. The first two methods treated properties as constants, while the last approach treated properties as surface-temperature-based functions. Finally, experimental TEHP data was used to validate the models, all with relative absolute deviations of approximately 10% when predicting heating capacity and 10%–25% when forecasting cooling capacity up to a 30 K surface temperature lift. The results demonstrated that, at the TEHP system level, the TE material properties could be treated as constants, avoiding solver iterations and reducing the performance uncertainty by up to 95%.

42 ENGINEERING↗
DOE OSTI2026

Hydrogen Adsorption over Transition Metals in Water

The adsorption free energy of atomic hydrogen on Pt(111), Pd(111), Ni(111), Ru(0001), Cu(111), and Rh(111) in liquid water was computed using a quantum mechanical/molecular mechanical free-energy perturbation scheme. The Pt(111) computations indicate that the solvent effect on H adsorption on atop sites (+0.20 eV) is almost twice that on fcc (+0.12 eV), showing it is less likely to find adsorbed hydrogen in atop position in the presence of water than in the gas phase. The solvent effect for the fcc site, which is the most favorable site for adsorbed H on Pt(111), agrees qualitatively with experimental work by Lercher et al., who reported an effect of +0.2 eV. Overall, an endergonic solvent effect for hydrogen adsorption is observed for all metals, indicating a lower hydrogen coverage relative to free site coverage at metal-water interfaces compared to metal-gas interfaces, even when hydrogen transport effects through the fluid phase are negligible; a result with important implications for (de)hydrogenation catalysis.

Zare, Mehdi↗
DOE OSTI2020

Strong correlations and orbital texture in single-layer 1T-TaSe2

© 2020, The Author(s), under exclusive licence to Springer Nature Limited. Strong electron correlation can induce Mott insulating behaviour and produce intriguing states of matter such as unconventional superconductivity and quantum spin liquids. Recent advances in van der Waals material synthesis enable the exploration of Mott systems in the two-dimensional limit. Here we report characterization of the local electronic properties of single- and few-layer 1T-TaSe2 via spatial- and momentum-resolved spectroscopy involving scanning tunnelling microscopy and angle-resolved photoemission. Our results indicate that electron correlation induces a robust Mott insulator state in single-layer 1T-TaSe2 that is accompanied by unusual orbital texture. Interlayer coupling weakens the insulating phase, as shown by reduction of the energy gap and quenching of the correlation-driven orbital texture in bilayer and trilayer 1T-TaSe2. This establishes single-layer 1T-TaSe2 as a useful platform for investigating strong correlation physics in two dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analytical model for drag reduction on liquid-infused structured non-wetting surfaces

Liquid-infused structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow, resulting in reduced friction at the interface. In this paper, an analytical model is developed for the evaluation of effective slip and, in turn, friction factor and drag reduction on liquid-infused structured non-wetting surfaces. By considering the entire range of anisotropy and heterogeneity of the surface structures as well as the full range of partial slip offered by the infusion liquid, the present model eliminates empirical fitting or correlations that are inherent in previous studies. Based on the effective slip length, drag reduction and skin friction coefficient values for Newtonian flow between two infinite parallel plates and flow in round tubes are presented. Extension of Moody charts for non-wetting surfaces and design maps of surface meso/micro/nano texturing for achieving desired drag reduction are presented for a broad range of engineering applications. The paper further presents independent validation of the model across experimental and computational data from the literature and brings together several previous studies in a unified manner.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of surface properties and polymer chain length on polymer adsorption in solution

In polymer nanoparticle composites (PNCs) with attractive interactions between nanoparticles (NPs) and polymers, a bound layer of the polymer forms on the NP surface, with significant effects on the macroscopic properties of the PNCs. The adsorption and wetting behaviors of polymer solutions in the presence of a solid surface are critical to the fabrication process of PNCs. In this study, we use both classical density functional theory (cDFT) and molecular dynamics (MD) simulations to study dilute and semi-dilute solutions of short polymer chains near a solid surface. Using cDFT, we calculate the equilibrium properties of polymer solutions near a flat surface while varying the solvent quality, surface–fluid interactions, and the polymer chain lengths to investigate their effects on the polymer adsorption and wetting transitions. Using MD simulations, we simulate polymer solutions near solid surfaces with three different curvatures (a flat surface and NPs with two radii) to study the static conformation of the polymer bound layer near the surface and the dynamic chain adsorption process. Additionally, we find that the bulk polymer concentration at which the wetting transition in the poor solvent system occurs is not affected by the difference in surface–fluid interactions; however, a threshold value of surface–fluid interaction is needed to observe the wetting transition. We also find that with good solvent, increasing the chain length or the difference in the surface–polymer interaction relative to the surface–solvent interaction increases the surface coverage of polymer segments and independent chains for all surface curvatures. Finally, we demonstrate that the polymer segmental adsorption times are heavily influenced only by the surface–fluid interactions, although polymers desorb more quickly from highly curved surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Kinetic mix at gas-shell interface in inverted corona fusion targets

Gas-filled, laser-driven “inverted corona” fusion targets have attracted interest as a low-convergence neutron source and platform for studying kinetic physics. At the fill pressures under investigation, ejected particles from the shell can penetrate deeply into the gas before colliding, leading to significant mixing across the gas–shell interface. Here, we use kinetic-ion, fluid-electron hybrid particle-in-cell simulations to explore the nature of that mix. Simulations of the system demonstrate characteristics of a weakly collisional electrostatic shock, whereby a strong electric field accelerates shell ions into the rarefied gas and reflects upstream gas ions. This interpenetration is mediated by collisional processes: At higher initial gas pressure, fewer shell particles pass into the mix region and reach the hotspot. This effect is detectable through neutron yield scaling vs gas pressure. Predictions of neutron yield scaling show excellent agreement with experimental data recorded at the OMEGA laser facility, suggesting that 1D kinetic mechanisms are sufficient to capture the mix process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

TMAP7

TMAP7 was developed by the Fusion Safety Program at INL primarily as a safety analysis code, to analyze tritium retention and loss in fusion reactor structures and systems during normal operation and accident conditions. TMAP7 solves one-dimensional thermal- and mass-diffusive transport and trapping equations for transport through structures, across the interface between enclosures and structures, and zero dimensional fluid transport between enclosures.

Humrickhouse, PaulW.↗