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At least 811 records · Page 45

Mesh-based super-resolution of fluid flows with multiscale graph neural networks

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. Furthermore, the architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor–Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.

Backward-facing step↗

Numerical Simulations in Support of a Long-Term Test of Gas Production From Hydrate Accumulations on the Alaska North Slope: Water Production and Associated Design and Management Issues

Here, we investigated numerical simulation strategies for a long-term test of depressurization-induced gas production from the B1 Sand of Unit B at the Hydrate-01 Stratigraphic Test Well. The main objective of this study was to estimate fluid production rates (with emphasis on water production) under a variety of conditions and production scenarios and contribute new insights to the design and management of the field test. In the first part of the study, we investigated the system response to a three-step depressurization process using two limiting sets of flow properties─the expected maximum and minimum intrinsic and effective permeabilities─for the very heterogeneous reservoir. In the second part, we investigated the effect of the production interval length and placement within the formation relative to the boundaries of the hydrate-bearing unit. The best performing well configuration was used in the third part of the study, which used the most representative subsurface flow properties to investigate the effect of the depressurization strategy on the production performance. The best overall performance (largest gas production with modest water production and a strong response at the observation wells) was obtained with a 10 m-long well situated 3 m below the top of the formation and a three-step depressurization scheme at 15-day intervals to a terminal bottomhole pressure of 2.8 MPa. The overall production performance was enhanced by a faster rate of depressurization. Estimated water production rates in all cases were limited and easily manageable. None of the tested well configurations or depressurization strategies significantly reduced water production without also severely reducing gas production. In all the investigated cases, 95% of the long-term fraction of produced water was replenished by inflows from the boundaries and could not be reduced. These substantial water inflows are an unavoidable feature of HU-B and cannot be easily mitigated by a hydraulic control.

02 PETROLEUM↗

Fatty acid foams for nonselective physical removal of microplastics from aqueous solutions

Microplastics (MPs) are pervasive environmental contaminants whose removal from water remains a major challenge due to their small size, chemical diversity, and dynamic surface properties arising from environmental aging/weathering. Here, we present a concept of foam-based separation method that physically traps MPs in the foam phase using microtubular assemblies of 12-hydroxystearic acid. These foams are stabilized by anisotropic fatty acid microtubules formed in the presence of ethanolamine, which jam within the foam channels and suppress fluid drainage thereby enhancing MP retention and foam stability. MPs of different sizes, polymer compositions (including polystyrene, polypropylene, polyethylene terephthalate, and polytetrafluoroethylene), and weathered states were retained in the foam phase without requiring chemical modification or relying on chemical interactions between the fatty acid and MPs. Thermally induced transition of the fatty acid microtubules into nanomicelles above the characteristic phase transition temperature (∼35 °C) enables controlled foam collapse and recovery of trapped MPs. The cumulative removal efficiency can exceed 85% through multiple foaming cycles, matching predictions from a probabilistic retention model. This work shows that foams can provide a simple platform to trap MPs, thus providing a new physical-removal strategy that does not rely on the particles’ chemistry.

Guillot, Kennedy A. [Louisiana State Univ., Baton ↗

Summary of Structural Alloy Compatibility in Supercritical CO2 at 450°-800°C

Supercritical CO2 (sCO2) is of interest as a working fluid for several concepts including the direct- fired Allam cycle as a low-emission fossil energy power cycle. Over the past 10 years, laboratory exposures at 300 bar sCO2 have found reasonably good compatibility for Ni-based alloys at <800°C, including an assessment of the sCO2 impact on room temperature mechanical properties after 750°C exposures. However, initial screening tests at 1 and 20 bar CO2 at 900°-1100°C showed poor compatibility for Ni-based alloys. In an open cycle, the introduction of 1%O2 and 0.1- 0.25%H2O impurities at 300 bar increased the reaction rates ≥2X at 750°C. At lower temperatures, steels are susceptible to C ingress and embrittlement. Creep-strength enhanced ferritic steels may be limited to <550°C and conventional stainless steels to <600°C. Two strategies to increase those temperatures are higher Ni and Cr alloying additions and Al- or Cr-rich coatings. Alloy 709 (Fe- 20Cr-25Ni) shows some promising results at 650°C in sCO2 but reaction rates were accelerated with the addition of O2 and H2O impurities. Pack aluminized and chromized Gr.91 (Fe-9Cr-1Mo) and type 316H stainless steel show some promise at 600°-650°C but further coating optimization is needed.

Pint, Bruce↗

Corrosion-Resistant Plug Materials for Geothermal Well Fluid Control

Conventional cements and plugs are challenged by corrosion in CO 2 -rich and extreme geothermal environments, due to the hostile chemistry and high temperatures. Thermite-based sealing and well intervention technologies are being applied in the oil and gas industry, combining the energy delivery capability of thermite materials with the sealing characteristics of low melt temperature alloys. The thermite reaction products (ceramics) and the sealing alloys used in these plugs both have very attractive corrosion properties, and their operating envelopes extend into geothermal conditions. Thermite plugs and platforms, without supplemental sealing materials, have been considered for nuclear waste isolation, carbon sequestration, and geothermal applications due to the geochemical stability of the ceramic product and its very high service temperature. This study addresses corrosion resistance of the thermite reaction products. A range of engineered thermite systems which yield thermite reaction products including pure aluminum oxide, feldspar, or aluminosilicate solid solutions (in addition to the iron produced in thermite reactions) was developed. These materials were evaluated for their strong acid resistance (pH 1), carbonate resistance (sodium carbonate) and thermal shock resistance (600 °C heating → cold water quenching repeated three times). Performance of different materials was evaluated based on the changes in mechanical properties, water-fillable porosity, phase changes under stress conditions. The aluminosilicate product exhibited very good corrosion resistance, both from material loss and strength perspectives, while the other products performed with varying degrees of stability. This paper presents the results of the thermite corrosion studies and describes the novel tools being deployed, and under development, to satisfy challenging barrier and intervention applications.

02 PETROLEUM↗

Efficient Measurement of Length Distribution of 1D Nanoparticles in Solution via Optical Polarimetry

The efficient measurement of the length distribution of nanotubes, nanowires, and other one-dimensional (1D) nanoparticles in solution is important to enable their incorporation into materials and devices and to optimize their processing for properties of interest, such as thermal/electrical conductivity or mechanical strength, in suspensions and composites. We report an electric-field (E-field)-assisted optical-polarimetry technique to measure the length distribution of ensembles of high-aspect-ratio particles in dilute suspension. The degree of alignment of polarizable 1D particles suspended in a fluid under Brownian motion explicitly depends on the E-field strength and the particle length. We show that it is possible to extract the length distribution of 1D nanoparticles suspended in an insulating fluid by applying a range of E-fields and using optical polarimetry to measure the corresponding alignment order parameter. Notably, the method is relatively insensitive to the diameter of the 1D particles, which can be poorly known or vary within a sample. The technique is validated with silver nanowires and carbon nanotubes of known lengths, as well as polymer-depletion-length-separated single-wall carbon nanotube samples with length distributions independently measured with analytical ultracentrifugation. Finally, we demonstrate the ability of the optical-polarimetry technique to quantify changes in the length distribution of ultranarrow, sub-nanometer-diameter single-wall carbon nanotubes under different types and durations of ultrasonication. Within its range of applicability (polarizable 1D nanoparticles in the 0.5 to 15 μm length range, constrained by the voltage stability of the media and the suspended particles), the E-field-assisted optical-polarimetry method is a particularly efficient and accurate method to measure the length distribution of nanowires and nanotubes in suspension.

1D nanoparticles↗

The impact of baryonic potentials on the gravothermal evolution of self-interacting dark matter haloes

The presence of a central baryonic potential can have a significant impact on the gravothermal evolution of self-interacting dark matter (SIDM) haloes. We extend a semi-analytical fluid model to incorporate the influence of a static baryonic potential and calibrate it using controlled N-body simulations. We construct benchmark scenarios with varying baryon concentrations and different SIDM models, including constant and velocity-dependent self-interacting cross-sections. The presence of the baryonic potential induces changes in SIDM halo properties, including central density, core size, and velocity dispersion, and it accelerates the halo’s evolution in both expansion and collapse phases. Furthermore, we observe a quasi-universality in the gravothermal evolution of SIDM haloes with the baryonic potential, resembling a previously known feature in the absence of the baryons. By appropriately rescaling the physical quantities that characterize the SIDM haloes, the evolution of all our benchmark cases exhibits remarkable similarity. In conclusion, our findings offer a framework for testing SIDM predictions using observations of galactic systems where baryons play a significant dynamical role.

79 ASTRONOMY AND ASTROPHYSICS↗

CFD Modeling of High-Flux Plate-and-Frame Membrane modules for industrial carbon capture

In this work, we explore the use of CO2-selective flat sheet membranes for capturing CO2 from point sources. We employ Computational Fluid Dynamics (CFD) models to design high-flux plate-and-frame membrane modules to achieve uniform flow distribution among membrane elements, minimize dead-end zones, and ease the common concentration polarization issue for gas separation membranes. The goal is to drive membrane technology improvements by providing better module designs for given membrane properties and operating conditions.

Dosso, Cheick↗

CFD Modeling of High-Flux Plate-and-Frame Membrane Modules for Industrial Carbon Capture

In this work, we explore the use of CO2-selective flat sheet membranes for capturing CO2 from point sources. We employ Computational Fluid Dynamics (CFD) models to design high-flux plate-and-frame membrane modules to achieve uniform flow distribution among membrane elements, minimize dead-end zones, and ease the common concentration polarization issue for gas separation membranes. The goal is to drive membrane technology improvements by providing better module designs for given membrane properties and operating conditions.

Dosso, Cheick↗

Implementing a Stochastic Soot Model in a 3D Domain

In this document a highly detailed stochastic soot model limited to 0D simulations is coupled to 3D domains through the use of a Lagrangian parcel-Eulerian fluid method. Although both the stochastic soot model used and the Lagrangian parcel-Eulerian fluid method have long histories of development, their use, as described in this document, is novel and useful. Previous works significant to the model's development include documents from both the stochastic and simpler soot model genre and the fuel, aerosol, and other particle tracking and Lagrangian parcel-Eulerian fluid genres. Developing the theory behind the model is crucial to its implementation because of the unconventional Lagrangian parcel-Eulerian fluid representation. In fact, the Lagrangian parcel-Eulerian fluid coupling is only a means of simplifying the much more difficult theoretical model. Despite the accompanying assumptions, the complete model is validated from the bottom up and then again in a holistic fashion with promising results. Then the model is used in multiple case studies, showcasing capabilities not had by other models. The optical properties of soot generated in a Spray A simulation are calculated to find measured results are likely overpredicting the mass of soot along the central axis via KL extinction measurements. A thermophoresis submodel that calculates force based on the soot particles' shape is installed to find it has a high influence on the path of the heaviest soot particles. Investigations into the HACA mechanism for soot growth and the effect of syngas on soot in 3D domains are performed with much more detail than has been available before.

Strickland, Tyler↗

CFD modeling of high-flux plate-and-frame membrane modules for industrial carbon capture

In this work, we explore the use of CO2-selective flat sheet membranes for capturing CO2 from point sources. We employ Computational Fluid Dynamics (CFD) models to design high-flux plate-and-frame membrane modules to achieve uniform flow distribution among membrane elements, minimize dead-end zones, and ease the common concentration polarization issue for gas separation membranes. The goal is to drive membrane technology improvements by providing better module designs for given membrane properties and operating conditions.

Dosso, Cheick↗

A rheological model for loose sands with insights from DEM

A rheological model for loose granular media is developed to capture both solid-like and fluid-like responses during shearing. The proposed model is built by following the mathematical structure of an extended Kelvin–Voigt model, where an elastic spring and plastic slider act in parallel to a viscous damper. This arrangement requires the partition of the total stress into rate-independent and rate-dependent stress components. To model the solid-like behavior, a simple frictional plasticity model is adopted without modifications, thus contributing to the rate-independent stress. Instead, the fluid-like or rate-dependent stress is further decomposed into deviatoric and volumetric parts, by proposing a new formulation based on a combination of the μ(I) relation, originally developed under pressure-controlled shear, with a pressure-shear rate relation derived under volume-controlled shear. The proposed formulation allows the model to capture both the increase in the friction coefficient and the enhanced dilation at high shear rates. High-fidelity simulation data, obtained from discrete element method and multiscale modelling, are used to evaluate the performance of the proposed constitutive model. The model provides accurate results under both drained and undrained simple shear paths across a wide range of shear rates. Furthermore, it successfully reproduces at much lower computational cost the flowslide mobility computed through multiscale simulations, which is primarily regulated by the shear rate dependence of the material properties during the dynamic runout stage.

Elasticity↗

Heat Transfer Characteristics of Particle and Air Flow Through Additively Manufactured Lattice Frame Material Based on Octet-Shape Topology

Particle-to-supercritical carbon dioxide (sCO 2 ) heat exchanger is a critical component in next-generation concentrating solar power (CSP) plants. The inherently low heat transfer between falling particles and sCO 2 imposes a challenge toward economic justification of levelized cost of electricity produced through solar energy. Introduction of integrated porous media with the walls bounding particle flow has the potential to enhance the overall particle-to-sCO 2 heat exchanger performance. Here, this paper presents an experimental study on heat transfer characterization of additively manufactured lattice frame material based on Octet-shaped unit cell with particles and air as working fluids. The lattice structures were additively manufactured in stainless steel (SS) 316L and SS420 (with 40% bronze infiltration) via Binder jetting process, where the lattice porosities were varied between 0.75 and 0.9. The mean particle diameters were varied from 266 μm to 966 μm. The effective thermal conductivity and averaged heat transfer coefficient were determined through steady-state experiments. It was found that the presence of lattice enhances the effective thermal conductivity by 2–4 times when compared to packed bed of particles alone. Furthermore, for gravity-assisted particle flow through lattice panel, significantly high convective heat transfer coefficients ranging from 200 W/m2K to 400 W/m2K were obtained for the range of particle diameters tested. The superior thermal transport properties of Octet-shape-based lattice frame for particle flow makes it a very promising candidate for particle-to-sCO 2 heat exchanger for CSP application.

14 SOLAR ENERGY↗

Determination of permeability for hydrocarbon release due to excavation-induced stress redistribution in rock salt

Due to a stress redistribution after the excavation of an underground tunnel for radioactive waste disposal, an Ed/DZ (excavation disturbed/damaged zone) will be generated in the near field of the opening, resulting in significant changes in the hydraulic and mechanical properties of the rock mass in the zone. Initially more or less randomly distributed hydrocarbons at grain boundaries in rock salt, which sometimes can only be observed with ultraviolet light, can then be mobilised and migrate at a potentially significant rate towards the excavation. Within the international cooperative project DECOVALEX 2019, the migration mechanism of such fluid inclusions in rock salt is being studied intensively. Specifically, a multi-scale modelling strategy has been developed. A macroscale coupled hydro-mechanical modelling of an underground excavation was performed to determine hydraulic and time-dependent deviatoric stress conditions, by taking into account the rock salt creep behaviour. Under the obtained macro-scale constraints, micro-scale modelling of a pathway dilation along halite grain boundaries was performed using different model strategies: a) coupled hydromechanical modelling with a consideration of hydraulic pressure-induced dilatant deformation, b) nonlinear dynamic model taking account of fluid migration, stress-dependent grain boundary wetting and shear-induced dilatancy of salt, and c) phase-field modelling of flow pathway propagation. The permeability increase resulting from the pathway dilation is estimated to be as high as two orders of magnitude. Based on the permeability determined, a series of pressure buildups measured from a borehole with a high hydrocarbon release rate, a total of 430 build-ups within a monitoring time of 938 days, can be simulated with a macro-scale compressible flow model accounting for different zones around the opening.

58 GEOSCIENCES↗

On the Bandwidth and Beam Profile Characteristics of a Simple Low-Frequency Collimated Ultrasound Beam Source

We numerically investigate the bandwidth and collimation characteristics of ultrasound beams generated by a simple collimated ultrasound beam source that consists of a piezoelectric disk operated near its radial mode resonances. We simulate the ultrasound beam generated in a fluid medium as a function of the excitation frequency for two cases: (1) free piezoelectric disk that corresponds to zero-traction along the lateral edge and (2) fixed piezoelectric disk that corresponds to zero-displacement along the lateral edge. We present and discuss the physical mechanism underpinning the frequency-dependent collimation and bandwidth properties of the ultrasound beams. We observe that the collimated beam generated by the free disk repeatedly lengthens/shortens and also extends/retracts sidelobes with increasing frequency. Alternatively, fixing the piezoelectric disk results in a consistent beam profile shape across a broad range of frequencies. This facilitates generating broadband signals such as a Gaussian pulse or chirp, which are common in ultrasound imaging. Thus, the fixed piezoelectric disk finds application as a collimated ultrasound beam source in a wide range of applications including medical ultrasound imaging, scanning acoustic microscopy, sonar detection, and other nondestructive ultrasound inspection techniques.

47 OTHER INSTRUMENTATION↗

In-situ thermodynamics measurements at metal oxides-solution interfaces using Flow Adsorption Microcalorimetry.

Mineral-fluid interfaces are the principal sites of geochemical processes near Earth’s surface, hosting chemical reactions that play a fundamental role in (bio)geochemical cycles and in the fate and transport of anthropogenic contaminants, and that effectively control the compositions of soil and water environments. These complex interfaces are critical for our energy and environmental future. The mineral-fluid interface has been studied in an unprecedented level of detail with both experimental and computational approaches, separately and in combination. However, conspicuously missing from studies of the mineral-fluid interface are direct measurements of the energies of ion sorption and exchange. The literature on energetics and enthalpies of exchange, adsorption, dissolution, precipitation, and surface protonation reactions, especially those directly supported by experimental data, remains scarce despite their fundamental nature. The overarching goal of this project is to complete a systematic study of the thermodynamics properties of interfacial reactions at four MO surfaces (Rutile (α-TiO2), Quartz (SiO2), boehmite (γ-AlOOH) and goethite (α-FeOOH)) through the application and construction of novel flow adsorption microcalorimetry techniques and instrumentations. These unique and specialized microcalorimeters will operate at various temperatures and solution chemical compositions allowing for in-situ measurements across metal oxides and ligands of various characteristics. The overall research goal will be accomplished by completing the following three specific objectives (O): O1) Determine the energetics of surface protonation and deprotonation, ion exchange and ligand sorption reactions; O2) Investigate the surface charge thermodynamic properties under a range of temperature and solution chemical compositions; and O3) Develop predictive trends of the interplay between MO structure, surface coverage and surface reactivity. In addition to key thermodynamics parameters, calorimetric measurements provide a wealth of mechanistic information about reactions energetics and kinetics, surface charge characteristics, and structure-reactivity or selectivity relationships, all obtained in-situ and in real-time. This report includes science highlights from various projects completed over the performance period of the project. Also listed are dissemination opportunities, people supported on the grant and the impact on available physical resources and the discipline as a whole.

58 GEOSCIENCES↗

A method for predicting failure statistics for steady state elevated temperature structural components

This paper presents the initial development of a high temperature life prediction method that accounts for the variability in the material properties of Grade 91 steel. The method accounts for material variability by fitting a variable 3-parameter Weibull distribution to experimental rupture data and accounts for the variability of creep deformation on the steady-state stresses via a Monte Carlo approach. To ensure reasonable computational times, the model represents the material as an extremely viscous Stokes fluid with a non-Newtonian viscosity, therefore solving the stress relaxation problem with a steady, static, instead of transient, analysis. Furthermore, the complete statistical analysis combines this model for creep deformation with a probabilistic model for creep rupture to evaluate the probability of premature failure for a set of sample problems, comparing the predicted failure statistics to the design life predicted by the ASME Boiler and Pressure Vessel Code rules.

42 ENGINEERING↗