162 results on '"Lattice-Boltzmann"'
Search Results
2. Learning a general model of single phase flow in complex 3D porous media
- Author
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Javier E Santos, Agnese Marcato, Qinjun Kang, Mohamed Mehana, Daniel O’Malley, Hari Viswanathan, and Nicholas Lubbers
- Subjects
lattice-Boltzmann ,porous media ,Klinkenberg ,nanoconfinement ,complex geometries ,Computer engineering. Computer hardware ,TK7885-7895 ,Electronic computers. Computer science ,QA75.5-76.95 - Abstract
Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance ( R ^2 = 0.9) when tested on extremely diverse real domains at multiple scales.
- Published
- 2024
- Full Text
- View/download PDF
3. Using Machine Learning to Predict Multiphase Flow through Complex Fractures.
- Author
-
Ting, Allen K., Santos, Javier E., and Guiltinan, Eric
- Subjects
- *
MULTIPHASE flow , *HYDRAULIC engineering , *ROCK deformation , *MACHINE learning , *FLUID flow , *COMPUTER workstation clusters , *HIGH performance computing - Abstract
Multiphase flow properties of fractures are important in engineering applications such as hydraulic fracturing, evaluating the sealing capacity of caprocks, and the productivity of hydrocarbon-bearing tight rocks. Due to the computational requirements of high fidelity simulations, investigations of flow and transport through fractures typically rely on simplified assumptions applied to large fracture networks. These simplifications ignore the effect of pore-scale capillary phenomena and 3D realistic fracture morphology (for instance, tortuosity, contact points, and crevasses) that lead to macro-scale effective transport properties. The effect of these properties can be studied through lattice Boltzmann simulations, but they require high performance computing clusters and are generally limited in their domain size. In this work, we develop a technique to represent 3D fracture geometries and fluid distributions in 2D without losing any information. Using this innovative approach, we present a specialized machine learning model which only requires a few simulations for training but still accurately predicts fluid flow through 3D fractures. We demonstrate our technique using simulations of a water filled fracture being displaced by supercritical CO 2 . By generating highly efficient simulations of micro-scale multiphase flow in fractures, we hope to investigate a wide range of fracture types and generalize our method to be incorporated into larger discrete fracture network simulations. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
4. Comprehensive analysis of the performance of a microfluidic photoelectrochemical solar cell with heat exchanger.
- Author
-
Davykoza, Mikita and Szafran, Roman G.
- Subjects
- *
SOLAR cells , *SOLAR collectors , *PHOTOVOLTAIC cells , *COMPUTATIONAL fluid dynamics , *SOLAR energy - Abstract
[Display omitted] • A microfluidic DSSC with a gapless configuration minimizes mass transport resistance. • Reducing series resistance in µDSSC increases efficiency near the theoretical limit. • μDSSC is less sensitive to light color temperature variations than Si cells. • The electrolyte flow does not decrease the efficiency of μDSSC. • The thermal efficiency of μDSSC is not limited by heat conduction within the cell. A dye-sensitized solar cell (DSSC) is a type of photoelectrochemical cell that converts sunlight directly into electricity using a photoanode with a dye-sensitized, nonporous semiconductor layer. This study investigates the impact of integrating microfluidic capabilities into DSSCs, resulting in a flow-cell configuration that introduces new electrical characteristics without compromising its performance. The primary goal of the work was to define and determine the values of heat, mass, and charge transport resistances, and to explore their relationships with the cell's current – voltage characteristics, temperature, light intensity, and spectra. We employed both experimental methods and computational fluid dynamics using the Lattice-Boltzmann solver to analyze the cell's dynamics. A novel multilayered microfluidic DSSC (µDSSC) was designed, featuring an innovative "gapless" configuration with a photoactive surface area exceeding 7 cm2, integrated directly with a microfluidic heat exchanger. This configuration allowed the µDSSC to achieve a power conversion efficiency (PCE) of at least 6 % under standard test conditions, with a fill factor reaching up to 68 %. By gradually covering the cell surface, the impact of series resistance (Rs) on PCE was minimized, enabling a maximum PCE of 19–22 %. A new integral definition of the fill factor (IFF) was proposed, which accurately describes the performance of cells constrained by ion mass transport resistance. For the gapless µDSSC, the IFF ranged from 58 % to 88 %. Additionally, we introduced a maximum cell efficiency (MCE) parameter to represent the cell's efficiency at the theoretical limit of Rs = 0, determined to be 20.7 % for the gapless µDSSC. This MCE value is specific to the cell and is independent of the illuminated surface area and incident light intensity. The thermal efficiency of µDSSC cells is generally limited by heat conduction through the multilayer structure, but at practical cell surface temperatures of 50–80 °C, this limitation is 3 to 6 times less significant than the limitation imposed by the maximum solar energy flux reaching the cell surface. The integration of microchannels into the cell led to a 58 % reduction in hydraulic resistance along the main flow direction. While electrolyte flow typically reduces efficiency in wide-gap DSSCs, the gapless configuration minimizes mass transport resistance, ensuring that fluid flow does not adversely affect the performance of gapless µDSSCs. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
5. Surface controlled mechanism of water boiling for nuclear reactor fuel assembly.
- Author
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Mokos, A., Patel, R.A., Karalis, K., Churakov, S.V., and Prasianakis, N.I.
- Subjects
- *
NUCLEAR fuels , *NUCLEAR reactors , *MOLECULAR dynamics , *BUBBLE dynamics , *BOILING water reactors , *CONTACT angle , *MULTISCALE modeling - Abstract
• Identified the contact angle on ZrO 2 using Molecular Dynamics for both main crystallographic planes at Boiling Water Reactor in-situ operating conditions. • Connected the nanoscale Molecular Dynamics simulations to mesoscale Lattice Boltzmann simulations through the contact angle. • Modelled the nucleation of bubbles on a ZrO 2 surface at Boiling Water Reactor in-situ operating conditions taking into account the micro-roughness. • Obtained a correlation between the roughness and the shape of the surface and the nucleation site density. The mechanism of bubble nucleation in boiling water at solid surface remains poorly understood. In this study, the water boiling and bubble nucleation density under nuclear reactor operation conditions were investigated by multiphase Lattice Boltzmann and Molecular Dynamics simulations. The developed multiscale model takes into account the surface energy of ZrO 2 cladding in different crystallographic planes obtained by molecular dynamics simulations and uses it to inform the corresponding contact angle of two-phase fluid in the thermal multiphase Lattice Boltzmann model. The model describes the bubble formation on a rough surface due to boiling and predicts the number of active nucleation sites on surfaces of different roughness. Further, the effect of the different contact angles on bubble dynamics while in close contact with the surface is investigated. The obtained results are in good agreement with experimental observations and provide functional relationships between interface properties (roughness, surface energy) and the nucleation site density, necessary for macroscopic simulations of the boiling phenomena. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
6. MPLBM-UT: Multiphase LBM library for permeable media analysis
- Author
-
Javier E. Santos, Alex Gigliotti, Abhishek Bihani, Christopher Landry, Marc A. Hesse, Michael J. Pyrcz, and Maša Prodanović
- Subjects
Multiphase ,Singlephase ,Relative permeability ,Permeability ,Lattice-Boltzmann ,Porous media ,Computer software ,QA76.75-76.765 - Abstract
MPLBM-UT is a specialized lattice-Boltzmann library that makes running single- and two-phase flow simulations in porous media accessible to everyone. We provide a suite of tools to pre-process computational domains for simulation, to set up custom boundary conditions, to run simulations, to post-process simulation outputs, and to visualize simulation results and data. All of these tools are easily accessible to users through the mplbm_utils Python package included in and automatically installed with MPLBM-UT. The high-performance, highly parallel library Palabos is used as the solver backend. MPLBM-UT is easily deployed in a variety of systems, from laptops to supercomputer clusters. MPLBM-UT also features multiple examples and benchmark templates that allow for fast prototyping of different porous media problems. We also provide an interface for reading in different file types and downloading domains from the Digital Rocks Portal to perform simulations.
- Published
- 2022
- Full Text
- View/download PDF
7. The Influence of Electrolyte Flow Hydrodynamics on the Performance of a Microfluidic Dye-Sensitized Solar Cell.
- Author
-
Szafran, Roman G. and Davykoza, Mikita
- Subjects
PHOTOVOLTAIC power systems ,DYE-sensitized solar cells ,SOLAR cells ,HYDRODYNAMICS ,PARTICLE image velocimetry ,ENERGY storage ,NAVIER-Stokes equations ,CLEAN energy - Abstract
Featured Application: A microfluidic solar cell with energy storage capability–the solar redox flow batteries (SRFB). The dye-sensitized solar cells microfluidically integrated with a redox flow battery (µDSSC-RFB) belong to a new emerging class of green energy sources with an inherent opportunity for energy storage. The successful engineering of microfluidically linked systems is, however, a challenging subject, as the hydrodynamics of electrolyte flow influences the electron and species transport in the system in several ways. In the article, we have analyzed the microflows hydrodynamics by means of the lattice-Boltzmann method, using the algebraic solution of the Navier-Stokes equation for a duct flow and experimentally by the micro particle image velocimetry method. Several prototypes of µDSSC were prepared and tested under different flow conditions. The efficiency of serpentine µDSSC raised from 2.8% for stationary conditions to 3.1% for electrolyte flow above 20 mL/h, while the fill factor increased about 13% and open-circuit voltage from an initial 0.715 V to 0.745 V. Although the hexagonal or circular configurations are the straightforward extensions of standard photo chambers of solar cells, those configurations are hydrodynamically less predictable and unfavorable due to large velocity gradients. The serpentine channel configuration with silver fingers would allow for the scaling of the µDSSC-RFB systems to the industrial scale without loss of performance. Furthermore, the deterioration of cell performance over time can be inhibited by the periodic sensitizer regeneration, which is the inherent advantage of µDSSC. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
8. Using Direct Numerical Simulation of Pore-Level Events to Improve Pore-Network Models for Prediction of Residual Trapping of CO2
- Author
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Amir H. Kohanpur, Yu Chen, and Albert J. Valocchi
- Subjects
pore-network (PN) modeling ,lattice-boltzmann ,residual trapping ,CO2 storage and sequestration ,pore-scale modeling ,Environmental technology. Sanitary engineering ,TD1-1066 - Abstract
Direct numerical simulation and pore-network modeling are common approaches to study the physics of two-phase flow through natural rocks. For assessment of the long-term performance of geological sequestration of CO2, it is important to model the full drainage-imbibition cycle to provide an accurate estimate of the trapped CO2. While direct numerical simulation using pore geometry from micro-CT rock images accurately models two-phase flow physics, it is computationally prohibitive for large rock volumes. On the other hand, pore-network modeling on networks extracted from micro-CT rock images is computationally efficient but utilizes simplified physics in idealized geometric pore elements. This study uses the lattice-Boltzmann method for direct numerical simulation of CO2-brine flow in idealized pore elements to develop a new set of pore-level flow models for the pore-body filling and snap-off events in pore-network modeling of imbibition. Lattice-Boltzmann simulations are conducted on typical idealized pore-network configurations, and the interface evolution and local capillary pressure are evaluated to develop modified equations of local threshold capillary pressure of pore elements as a function of shape factor and other geometrical parameters. The modified equations are then incorporated into a quasi-static pore-network flow solver. The modified model is applied on extracted pore-network of sandstone samples, and saturation of residual trapped CO2 is computed for a drainage-imbibition cycle. The modified model yields different statistics of pore-level events compared with the original model; in particular, the occurrence of snap-off in pore-throats is reduced resulting in a more frontal displacement pattern along the main injection direction. Compared to the original model, the modified model is in closer agreement with the residual trapped CO2 obtained from core flow experiments and direct numerical simulation.
- Published
- 2022
- Full Text
- View/download PDF
9. Extraction of pore-morphology and capillary pressure curves of porous media from synchrotron-based tomography data
- Author
-
Toney, Michael [SLAC National Accelerator Lab., Menlo Park, CA (United States)]
- Published
- 2015
- Full Text
- View/download PDF
10. Using Machine Learning to Predict Multiphase Flow through Complex Fractures
- Author
-
Allen K. Ting, Javier E. Santos, and Eric Guiltinan
- Subjects
machine learning ,multiphase flow ,unsteady-state ,time-dependency ,hydraulic fractures ,lattice-Boltzmann ,Technology - Abstract
Multiphase flow properties of fractures are important in engineering applications such as hydraulic fracturing, evaluating the sealing capacity of caprocks, and the productivity of hydrocarbon-bearing tight rocks. Due to the computational requirements of high fidelity simulations, investigations of flow and transport through fractures typically rely on simplified assumptions applied to large fracture networks. These simplifications ignore the effect of pore-scale capillary phenomena and 3D realistic fracture morphology (for instance, tortuosity, contact points, and crevasses) that lead to macro-scale effective transport properties. The effect of these properties can be studied through lattice Boltzmann simulations, but they require high performance computing clusters and are generally limited in their domain size. In this work, we develop a technique to represent 3D fracture geometries and fluid distributions in 2D without losing any information. Using this innovative approach, we present a specialized machine learning model which only requires a few simulations for training but still accurately predicts fluid flow through 3D fractures. We demonstrate our technique using simulations of a water filled fracture being displaced by supercritical CO2. By generating highly efficient simulations of micro-scale multiphase flow in fractures, we hope to investigate a wide range of fracture types and generalize our method to be incorporated into larger discrete fracture network simulations.
- Published
- 2022
- Full Text
- View/download PDF
11. Recovery Act: An Integrated Experimental and Numerical Study: Developing a Reaction Transport Model that Couples Chemical Reactions of Mineral Dissolution/Precipitation with Spatial and Temporal Flow Variations.
- Author
-
Longmire, Ellen [Univ. of Minnesota, Minneapolis, MN (United States)]
- Published
- 2016
- Full Text
- View/download PDF
12. Blood Flow in Channel Constrictions: A Lattice-Boltzmann Consistent Comparison between Newtonian and Non-Newtonian Models
- Author
-
G. A. Orozco, C. T. Gonzáles-Hidalgo, A. D. Mackie, J. C. Diaz, and D. A. Roa Romero
- Subjects
Blood rheology ,Lattice-boltzmann ,Computational fluid dynamics ,Non-newtonian models ,Simultaneous optimization. ,Mechanical engineering and machinery ,TJ1-1570 - Abstract
Lattice Boltzmann simulations have been carried out in order to study the flow of blood in normal and constricted blood channels using Newtonian and non-Newtonian rheological models. Instead of using parameters from previous works as is usually done, we propose a new optimization methodology that provides in a consistent manner the complete set of parameters for the studied models, namely Newtonian, Carreau-Yassuda and Kuang-Luo. The optimization was performed simultaneously using experimental data from several sources. Physical observables such as velocity profiles, shear rate profiles and pressure fields were evaluated. For the normal channel case, it was found that the Newtonian model predicts both the highest velocity and shear rates profiles followed by the Carreau-Yassuda and the Kuang-Luo models. For a constricted channel, important differences were found in the velocity profiles among the studied models. First, the Newtonian model was observed to predict the velocity profile maximum at different channel width positions compared to the non-Newtonian ones. Second, the obtained recirculation region was found to be longer for the Newtonian models. Finally, concerning the constriction shape, the global velocity was found to be lower for a rectangular geometry than for a semi-circular one.
- Published
- 2019
13. Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement
- Author
-
Alder, Berni [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)]
- Published
- 2013
- Full Text
- View/download PDF
14. Multi-scale modelling describing thermal behaviour of polymeric materials : scalable lattice-Boltzmann models based upon the theory of Grmela towards refined thermal performance prediction of polymeric materials at micro and nano scales
- Author
-
Clark, Peter Graham and Not named
- Subjects
620.1 ,Lattice-Boltzmann ,Polymer ,Mathematical model ,Numerical simulation ,Extrusion ,Thermal ,Micro ,Nano ,Micrometer injection moulding ,Polymer heat transfer - Abstract
Micrometer injection moulding is a type of moulding in which moulds have geometrical design features on a micrometer scale that must be transferred to the geometry of the produced part. The difficulties encountered due to very high shear and rapid heat transfer of these systems has motivated this investigation into the fundamental mathematics behind polymer heat transfer and associated processes. The aim is to derive models for polymer dynamics, especially heat dynamics, that are considerably less approximate than the ones used at present, and to translate this into simulation and optimisation algorithms and strategies, Thereby allowing for greater control of the various polymer processing methods at micrometer scales.
- Published
- 2012
15. A structured approach to the construction of stable linear Lattice Boltzmann collision operator.
- Author
-
Otte, Philipp and Frank, Martin
- Subjects
- *
EULER equations , *CONSTRUCTION , *DEFINITIONS - Abstract
We introduce a structured approach to the construction of linear BGK-type collision operators ensuring that the resulting Lattice-Boltzmann methods are stable with respect to a weighted L 2 -norm. The results hold for particular boundary conditions including periodic, bounce-back, and bounce-back with flipping of sign boundary conditions. This construction uses the equivalent moment-space definition of BGK-type collision operators and the notion of stability structures as guiding principle for the choice of the equilibrium moments for those moments influencing the error term only but not the order of consistency. The presented structured approach is then applied to the 3D isothermal linearized Euler equations with non-vanishing background velocity. Finally, convergence results in the strong discrete L ∞ -norm highlight the suitability of the structured approach introduced in this manuscript. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
16. Optimization of a Lattice Boltzmann Computation on State-of-the-Art Multicore Platforms
- Author
-
Williams, Samuel
- Subjects
Mathematics and Computing ,Lattice-Boltzmann ,Auto-tuning ,Multicore ,Cell Broadband Engine ,Niagara - Abstract
We present an auto-tuning approach to optimize application performance on emerging multicore architectures. The methodology extends the idea of search-based performance optimizations, popular in linear algebra and FFT libraries, to application-specific computational kernels. Our work applies this strategy to a lattice Boltzmann application (LBMHD) that historically has made poor use of scalar microprocessors due to its complex data structures and memory access patterns. We explore one of the broadest sets of multicore architectures in the HPC literature, including the Intel Xeon E5345 (Clovertown), AMD Opteron 2214 (Santa Rosa), AMD Opteron 2356 (Barcelona), Sun T5140 T2+ (Victoria Falls), as well as a QS20 IBM Cell Blade. Rather than hand-tuning LBMHD for each system, we develop a code generator that allows us to identify a highly optimized version for each platform, while amortizing the human programming effort. Results show that our auto-tuned LBMHD application achieves up to a 15x improvement compared with the original code at a given concurrency. Additionally, we present detailed analysis of each optimization, which reveal surprising hardware bottlenecks and software challenges for future multicore systems and applications.
- Published
- 2009
17. A Lattice-Boltzmann CFD study of the hydrodynamics relevant for industrial fermentation processes
- Author
-
Eijsberg, Daan (author) and Eijsberg, Daan (author)
- Abstract
Fermentation processes are considered to be essential to decrease our reliance on fossil fuel based products. However, the scale-up from lab-scale to industrial-scale has proven to be difficult. Computational Fluid Dynamics (CFD) has the potential to be a tool to optimize the scale-up and to help engineers understand the relevant hydrodynamics inside such reactors. However, traditional CFD simulations are computationally intensive and it is not uncommon that simulations can take several months to compute a few minutes of flow-time. Due to the recent development of GPU-based hardware, the Lattice-Boltzmann method (LBM) has been gaining much interest as this meant an orders-of-magnitude decrease of needed computational time compared to conventional CFD methods. In order to calibrate the models underlying the simulations, the obtained results of said simulations should be validated against experimentally obtained data, which is exceptionally scarce for industrial-scaled reactors. Hence the aim of this thesis is to to investigate the applicability of the LBM in high gas-flow, industrial sized reactors by studying three benchmark cases. Using Large Eddy Simulations (LES) and Euler-Lagrangian tracking of bubble parcels, the models provided by M-Star (MStar Simulations, LLC) are validated by replicating a small-scale reactor of which the LBM has already been successfully applied to. The industrial-scaled case consists of the simulation of the 22m3 industrial reactor located in Stavanger, which is an exception regarding the scarcity of experimental data for industrial sized reactors. As this data set did not encompass all the relevant data for aerated stirred tanks, the suitability of the LBM and provided models are also tested for a smaller scaled tank of which the Bubble Size Distribution (BSD) throughout the vessel is known. The applicability of the provided models will be tested by comparing the obtained gas hold-up, BSD and power consumption with experimental data sets, Life Science and Technology (LST)
- Published
- 2023
18. Flow confinement effects on sUAS rotor noise.
- Author
-
Casalino, Damiano, Romani, Gianluca, Pii, Lorenzo Maria, and Colombo, Riccardo
- Subjects
- *
AXIAL flow , *BOUNDARY layer (Aerodynamics) , *NOISE , *REYNOLDS number , *ROTORS , *UNSTEADY flow - Abstract
The goal of this paper is to investigate the effects of flow confinement on the noise generated by a small unmanned aerial system rotor measured and simulated in a partially closed test room. More specifically, the influence of the flow recirculation in the test room and the consequent blade turbulence interaction on both the tonal unsteady loading noise and the broadband laminar separation noise components are scrutinized. The study also aims at improving our prediction capabilities of drone rotor noise, and deepening our fundamental knowledge of rotor aeroacoustics in transitional boundary layer regimes. Numerical simulations are conducted by means of a scale-resolving wall-modelled lattice Boltzmann solver to calculate the unsteady flow and the noise generated by the same reference configuration used in our previous works, which consists in a rotor operated at a chord-based Reynolds number of about 70000 at 75% of the tip radius, both in hover and axial flow conditions. Results for a rotor in pristine flow conditions are compared to results obtained by simulating the rotor in a confined environment that reproduces the A-Tunnel test chamber of Delft University of Technology. On one hand, our study reveals that previously observed discrepancies between measured and predicted noise spectra in hover conditions are not due to the influence of the flow confinement on the laminar separation mechanisms, as hypothesized in our previous study, rather to a lack of numerical resolution. On the other hand, the new results reveal that, in hover conditions, the dominant effect of the flow recirculation is to increase the unsteady loading tonal noise components, whereas, in axial flow conditions, no significant effect due to the test environment is observed. Some of our conclusive observations are supported by results obtained using a source identification technique herein presented for the first time. [ABSTRACT FROM AUTHOR]
- Published
- 2023
- Full Text
- View/download PDF
19. Fuel Efficient Diesel Particulate Filter (DPF) Modeling and Development
- Author
-
Zelenyuk, Alla
- Published
- 2010
- Full Text
- View/download PDF
20. SciDAC - Center for Plasma Edge Simulation - General Atomics Support of NYU Collaborations
- Published
- 2009
- Full Text
- View/download PDF
21. Blood Flow in Channel Constrictions: A Lattice-Boltzmann Consistent Comparison between Newtonian and Non-Newtonian Models.
- Author
-
Orozco, G. A., Gonzalez-Hidalgo, C. T., Mackie, A. D., Diaz, J. C., and Romero, D. A. Roa
- Subjects
BLOOD flow ,CHANNEL flow ,NON-Newtonian flow (Fluid dynamics) ,NON-Newtonian fluids ,FRICTION velocity ,COMPUTATIONAL fluid dynamics - Abstract
Lattice Boltzmann simulations have been carried out in order to study the flow of blood in normal and constricted blood channels using Newtonian and non-Newtonian rheological models. Instead of using parameters from previous works as is usually done, we propose a new optimization methodology that provides in a consistent manner the complete set of parameters for the studied models, namely Newtonian, Carreau- Yassuda and Kuang-Luo. The optimization was performed simultaneously using experimental data from several sources. Physical observables such as velocity profiles, shear rate profiles and pressure fields were evaluated. For the normal channel case, it was found that the Newtonian model predicts both the highest velocity and shear rates profiles followed by the Carreau-Yassuda and the Kuang-Luo models. For a constricted channel, important differences were found in the velocity profiles among the studied models. First, the Newtonian model was observed to predict the velocity profile maximum at different channel width positions compared to the non- Newtonian ones. Second, the obtained recirculation region was found to be longer for the Newtonian models. Finally, concerning the constriction shape, the global velocity was found to be lower for a rectangular geometry than for a semi-circular one. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
22. ESPResSo and LbmPy: Re-usable and modular interface between particle-based and lattice-based simulation codes
- Author
-
Grad, Jean-Noël, Reinauer, Alexander, Holzer, Markus, Holm, Christian, and Weeber, Rudolf
- Subjects
waLBerla ,PyStencils ,lattice-Boltzmann ,Molecular Dynamics ,LbmPy ,ESPResSo - Abstract
We report on the successful development of an interface between the molecular dynamics simulation package ESPResSo and the computational fluid dynamics library waLBerla. We plan to publish the interface code in a dedicated repository, so that other particle-based simulation software can re-use it to couple to the waLBerla hydrodynamics solver. Using the code generation capabilities of the PyStencils and LbmPy packages, customized and highly optimized lattice methods are prototyped with minimal effort in a Jupyter notebook and then integrated into the simulation software. Practical applications from the ESPResSo project involving Lees–Edwards boundary conditions and fluctuating diffusion-advection-reaction methods will be presented.
- Published
- 2023
- Full Text
- View/download PDF
23. Validation of Patient-Specific Cerebral Blood Flow Simulation Using Transcranial Doppler Measurements
- Author
-
Derek Groen, Robin A. Richardson, Rachel Coy, Ulf D. Schiller, Hoskote Chandrashekar, Fergus Robertson, and Peter V. Coveney
- Subjects
lattice-Boltzmann ,middle cerebral artery ,computational fluid dynamics ,transcranial Doppler ,high performance computing ,blood flow ,Physiology ,QP1-981 - Abstract
We present a validation study comparing results from a patient-specific lattice-Boltzmann simulation to transcranial Doppler (TCD) velocity measurements in four different planes of the middle cerebral artery (MCA). As part of the study, we compared simulations using a Newtonian and a Carreau-Yasuda rheology model. We also investigated the viability of using downscaled velocities to reduce the required resolution. Simulations with unscaled velocities predict the maximum flow velocity with an error of less than 9%, independent of the rheology model chosen. The accuracy of the simulation predictions worsens considerably when simulations are run at reduced velocity, as is for example the case when inflow velocities from healthy individuals are used on a vascular model of a stroke patient. Our results demonstrate the importance of using directly measured and patient-specific inflow velocities when simulating blood flow in MCAs. We conclude that localized TCD measurements together with predictive simulations can be used to obtain flow estimates with high fidelity over a larger region, and reduce the need for more invasive flow measurement procedures.
- Published
- 2018
- Full Text
- View/download PDF
24. Red blood cell dynamics in extravascular biological tissues modelled as canonical disordered porous media
- Author
-
Qi Zhou, Kerstin Schirrmann, Eleanor Doman, Qi Chen, Naval Singh, P. Ravi Selvaganapathy, Miguel O. Bernabeu, Oliver E. Jensen, Anne Juel, Igor L. Chernyavsky, and Timm Krüger
- Subjects
Biomaterials ,porous media ,haemodynamics ,Microfluidics ,lattice-Boltzmann method ,Biomedical Engineering ,Biophysics ,Bioengineering ,biological tissues ,Red blood cells ,Biochemistry ,Lattice-Boltzmann ,Biotechnology - Abstract
The dynamics of blood flow in the smallest vessels and passages of the human body, where the cellular character of blood becomes prominent, plays a dominant role in the transport and exchange of solutes. Recent studies have revealed that the micro-haemodynamics of a vascular network is underpinned by its interconnected structure, and certain structural alterations such as capillary dilation and blockage can substantially change blood flow patterns. However, for extravascular media with disordered microstructure (e.g., the porous intervillous space in the placenta), it remains unclear how the medium’s structure affects the haemodynamics. Here, we simulate cellular blood flow in simple models of canonical porous media representative of extravascular biological tissue, with corroborative microfluidic experiments performed for validation purposes. For the media considered here, we observe three main effects: first, the relative apparent viscosity of blood increases with the structural disorder of the medium; second, the presence of red blood cells (RBCs) dynamically alters the flow distribution in the medium; third, increased structural disorder of the medium can promote a more homogeneous distribution of RBCs. Our findings contribute to a better understanding of the cellscale haemodynamics that mediates the relationship linking the function of certain biological tissues to their microstructure.
- Published
- 2022
- Full Text
- View/download PDF
25. Validation of Patient-Specific Cerebral Blood Flow Simulation Using Transcranial Doppler Measurements.
- Author
-
Groen, Derek, Richardson, Robin A., Coveney, Peter V., Coy, Rachel, Schiller, Ulf D., Chandrashekar, Hoskote, and Robertson, Fergus
- Subjects
LATTICE Boltzmann methods ,COMPUTATIONAL fluid dynamics ,TRANSCRANIAL Doppler ultrasonography ,HIGH performance computing ,BLOOD flow - Abstract
We present a validation study comparing results from a patient-specific lattice-Boltzmann simulation to transcranial Doppler (TCD) velocity measurements in four different planes of the middle cerebral artery (MCA). As part of the study, we compared simulations using a Newtonian and a Carreau-Yasuda rheology model. We also investigated the viability of using downscaled velocities to reduce the required resolution. Simulations with unscaled velocities predict the maximum flow velocity with an error of less than 9%, independent of the rheology model chosen. The accuracy of the simulation predictions worsens considerably when simulations are run at reduced velocity, as is for example the case when inflow velocities from healthy individuals are used on a vascular model of a stroke patient. Our results demonstrate the importance of using directly measured and patient-specific inflow velocities when simulating blood flow in MCAs. We conclude that localized TCD measurements together with predictive simulations can be used to obtain flow estimates with high fidelity over a larger region, and reduce the need for more invasive flow measurement procedures. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF
26. Polymer translocation through a nanopore: Controlling capture conformations using an electrical force
- Author
-
Wei, Matthew D.
- Subjects
solid-state pore ,Statistical, Nonlinear, and Soft Matter Physics ,Fluid Dynamics ,nanopore ,lattice-Boltzmann ,polymer translocation ,LAMMPS - Abstract
Solid-state nanopore sensors remain a promising solution to the rising global demand for genome sequencing. These single-molecule sensing technologies require single-file translocation for high resolution and accurate detection. This study uses molecular dynamics-lattice Boltzmann simulations of the capture of a single polymer chain under pressure-driven hydrodynamic flow to investigate a method of increasing the single-file capture and translocation rate. By using a model force of two oppositely electrically charged rings, single-file capture in hydrodynamic flow can be amplified from about 45% to 51.5%. This paper found that the optimal values of force location, force strength, and system pressure/flow velocity are neither too high nor too low and are roughly parabolic in shape near the apex. Thus, implementing an electrical force and optimizing these variables can result in a higher probability of threading a polymer through a nanopore in a single-file fashion.
- Published
- 2022
27. A coupled lattice Boltzmann/finite volume method for turbulent gas-liquid bubbly flows
- Author
-
Daniel Lauwers, Matthias Meinke, and Wolfgang Schröder
- Subjects
Eulerian-Eulerian model ,Bubbly flow ,LES ,Finite-Volume ,Lattice-Boltzmann - Abstract
The study of gas-liquid multiphase flows has been an active research topic for many decades. They occur in processes belonging to industries including chemical, pharmaceutical, food, energy, and machinery industries. As processes in these fields become more refined, there is an increasing demand for the detailed analysis and accurate prediction of such flows. There are many categories of multiphase gas-liquid flows. We consider a dispersed phase in a carrier phase, such as small gas bubbles in liquids or liquid droplets in a gas. The technical application is a pulsed electrochemical machining (PECM) process, in which gas bubbles are generated in a liquid electrolyte during the electrochemical removal of material. The simulation method is based on an Eulerian-Eulerian model for the dispersed gas-liquid bubbly flow. The conservation equations are volumetrically averaged, resulting in one set of conservation equations per phase. The liquid phase is using a Lattice-Boltzmann method, while the gas phase is modelled by a Finite-Volume method. Interface terms between the phases result in a two-way coupled system. Both methods are formulated on a shared Cartesian grid similar to the concept in [1], which facilitates the exchange of information between the two solvers and an efficient implementation on HPC hardware. This coupled multiphase approach combines the advantages of the Lattice Boltzmann method as an efficient prediction tool for low Mach number flows with those of a finite-volume method for the Navier-Stokes equation used for the phase with larger density changes. To accurately model the turbulent motion of the liquid phase on all relevant scales, a cumulant-based collision step for the Lattice-Boltzmann scheme [2] is combined with a Smagorinsky sub-grid-scale turbulence model. In the finite-volume solver, the effects of the sub-grid-scale turbulence are incorporated according to the MILES approach. For the validation of the new method, large-eddy simulations (LES) of turbulent bubbly flows are performed. The accuracy of the predictions is evaluated comparing the results to reference data from experiments and other simulations for generic test cases, for which good agreement is found. The applicability of the method will be demonstrated for a bubbly turbulent channel flow, which mimics the phenomena in the PECM process.
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- 2022
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28. Coupling of lattice-Boltzmann solvers with suspended particles using the MPI intercommunication framework.
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Puurtinen, T.A., Toivanen, J.I., Mattila, K., Hyväluoma, J., Nash, R.W., Coveney, P.V., and Timonen, J.
- Subjects
- *
INTERCOMMUNICATION systems , *LATTICE Boltzmann methods , *PARTICLE dynamics analysis , *ADVECTION , *COMPUTER simulation - Abstract
The MPI intercommunication framework was used for coupling of two lattice-Boltzmann solvers with suspended particles, which model advection and diffusion respectively of these particles in a carrier fluid. Simulation domain was divided into two parts, one with advection and diffusion, and the other with diffusion only (no macroscopic flow). Particles were exchanged between these domains at their common boundary by a direct process to process communication. By analysing weak and strong scaling, it was shown that the linear scaling characteristics of the lattice-Boltzmann solvers were not compromised by their coupling. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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29. Calculation of effective transport properties of partially saturated gas diffusion layers.
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Bednarek, Tomasz and Tsotridis, Georgios
- Subjects
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PROTON exchange membrane fuel cells , *COMPUTATIONAL fluid dynamics , *POROUS materials , *DIFFUSION , *MASS transfer , *CRYSTAL structure - Abstract
A large number of currently available Computational Fluid Dynamics numerical models of Polymer Electrolyte Membrane Fuel Cells (PEMFC) are based on the assumption that porous structures are mainly considered as thin and homogenous layers, hence the mass transport equations in structures such as Gas Diffusion Layers (GDL) are usually modelled according to the Darcy assumptions. Application of homogenous models implies that the effects of porous structures are taken into consideration via the effective transport properties of porosity, tortuosity, permeability (or flow resistance), diffusivity, electric and thermal conductivity. Therefore, reliable values of those effective properties of GDL play a significant role for PEMFC modelling when employing Computational Fluid Dynamics, since these parameters are required as input values for performing the numerical calculations. The objective of the current study is to calculate the effective transport properties of GDL, namely gas permeability, diffusivity and thermal conductivity, as a function of liquid water saturation by using the Lattice-Boltzmann approach. The study proposes a method of uniform water impregnation of the GDL based on the “Fine-Mist” assumption by taking into account the surface tension of water droplets and the actual shape of GDL pores. [ABSTRACT FROM AUTHOR]
- Published
- 2017
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30. Investigation of natural convection heat transfer of self-heating packed beds.
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Tiftikci, Ali, Catalbas, Salih Said, Polat, Eyyub, Ahn, Hyun-Ha, Han, Jeong-Won, and Chung, Bum-Jin
- Subjects
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HEAT transfer , *CONVECTIVE flow , *RAYLEIGH number , *NUSSELT number , *MASS transfer - Abstract
This study investigated heat transfer characteristics of natural convective flow in the packed bed geometry experimentally and numerically. The natural convection experiments for self-heating condition were performed using the copper sulfate electroplating system based on the analogy between heat and mass transfers. Also, the same conditions were simulated with Lattice-Boltzmann Method (LBM) and the results were compared. The spheres diameters were d = 4, 6 and 10 mm and the corresponding Rayleigh numbers were 5.43 × 106, 1.83 × 107 and 8.48 × 107 respectively. The packed bed height to sphere diameter ratios, H / d were 5, 10 and 20. The Nusselt numbers (Nu d), velocity and shear stress distributions of both analyses were in good agreement. Both results showed the same order (10−2 m/s) of irregular velocity distributions resulting from the random arrangement of the spheres. In spite of the laminar flow condition, wake and vortex generated by the packed bed geometry increased the turbulent kinetic energies to one- or two-order higher values than those at the entrance. The temperature profiles of flow inside packed bed were approximately uniform for d = 4 mm cases but there were temperature gradients in case of d = 10 mm. This revealed that the use of smaller fuel sphere can prevent from unwanted hot spots inside the packed bed. The Nu d values from LBM results and newly developed empirical correlation for natural convective flow in packed bed were consistent. • Self-heating sphere condition was tested with high Prandtl number considering a Molten Salt. • Mass transfer experiments realized the uniform self-heating condition of spheres. • Nusselt numbers, velocity and turbulent intensity distributions of both studies agreed well. • Lattice Boltzmann calculation revealed crooked • LBM results revealed winding and crooked passages, wake and vortex in the packed bed. [ABSTRACT FROM AUTHOR]
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- 2023
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31. Combined Lattice–Boltzmann and rigid-body method for simulations of shear-thickening dense suspensions of hard particles.
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Lorenz, Eric, Sivadasan, Vishnu, Bonn, Daniel, and Hoekstra, Alfons G.
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LATTICE Boltzmann methods , *SHEAR (Mechanics) , *SIMULATION methods & models , *HYDRODYNAMICS , *COEFFICIENTS (Statistics) - Abstract
We present a high-fidelity simulation model for dense suspensions of spherical and non-spherical particles suspended in a Lattice–Boltzmann Method (LBM) based fluid. The non-spherical particles are composed of an arbitrary number of overlapping spheres of different sizes and arbitrary relative positions in the particle reference frame which stay fixed during the simulation. This approach allows to approximate a wide range of rigid particle shapes. Fluid Structure Interactions (FSI) are realized using a hybrid of immersed-boundary methods and bounce-back schemes, that employs coupling coefficients dependent upon particle overlap with the fluid lattice, resulting in smooth hydrodynamic interactions when particles move over the lattice. Numerical lubrication breakdown is overcome by applying appropriate corrections for small inter-particle gaps and hydrodynamic interactions are resolved down to scales much smaller than the LBM lattice spacing. For improved numerical stability in the limit of stiff particle-particle interactions, a generalized- α method together with a dynamically refined time-step is used for rigid body dynamics. An unbounded shear flow with large shear rates is realized by splitting the computational domain into multiple co-moving reference frames coupled through Galilean transformations of both fluid and particle phase. For fast simulations of hundreds of particles over physical times-spans of seconds, the LBM sub-model and FSI computations are accelerated on GPUs and MPI/OpenMP are used to parallelize the computation over networked/shared-memory resources. All these innovations together lead to a very powerful simulation environment for sheared dense suspensions, facilitating study of rheology close to the jamming limit. In this paper we present benchmark results and simulations of continuous and discontinuous shear-thickening of dense polydisperse frictional suspensions, demonstrating the accuracy and predictive power of the model over a large range of volume fractions of suspended particles and a large range of shear rates. [ABSTRACT FROM AUTHOR]
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- 2018
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32. Behaviour of a Magnetic Nanogel in a Shear Flow
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Novikau, I. S., Novak, E. V., Pyanzina, E. S., and Kantorovich, S. S.
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DRUG DELIVERY ,TIME-SCALES ,LATTICE-BOLTZMANN ,NANOSTRUCTURED MATERIALS ,SHEAR-RATE ,POLYMER MATRICES ,SHEAR DEFORMATION ,HYDRODYNAMIC FLOWS ,MAGNETIC NANOGEL ,NANOFLUIDICS ,NANOGELS ,NANOMAGNETICS ,CENTERS-OF-MASS ,SHEAR FLOW ,SOFT COLLOIDS ,MOLECULAR DYNAMICS ,VELOCITY SCALE - Abstract
Magnetic nanogels (MNG) – soft colloids made of polymer matrix with embedded in it magnetic nanoparticles (MNPs) – are promising magneto-controllable drug carriers. In order to develop this potential, one needs to clearly understand the relationship between nanogel magnetic properties and its behaviour in a hydrodynamic flow. Considering the size of the MNG and typical time and velocity scales involved in their nanofluidics, experimental characterisation of the system is challenging. In this work, we perform molecular dynamics (MD) simulations combined with the Lattice-Boltzmann (LB) scheme aiming at describing the impact of the shear rate (γ̇) on the shape, magnetic structure and motion of an MNG. We find that in a shear flow the centre of mass of an MNG tends to be in the centre of a channel and to move preserving the distance to both walls. The MNG monomers along with translation are involved in two more types of motion, they rotate around the centre of mass and oscillate with respect to the latter. It results in synchronised tumbling and wobbling of the whole MNG accompanied by its volume oscillates. The fact the an MNG is a highly compressible and permeable for the carrier liquid object makes its behaviour different from that predicted by classical Taylor-type models. We show that the frequency of volume oscillations and rotations are identical and are growing function of the shear rate. We find that the stronger magnetic interactions in the MNG are, the higher is the frequency of this complex oscillatory motion, and the lower is its amplitude. Finally, we show that the oscillations of the volume lead to the periodic changes in MNG magnetic energy. © 2021 Elsevier B.V. This research has been supported by the Russian Science Foundation Grant No.19-12-00209. Computer simulations were performed at the Vienna Scientific Cluster (VSC). I.S.N. and S.S.K. are grateful to Vienna Doctoral School Physics, Doctoral College DCAMF and were partially supported by FWF Project SAM P 33748. The authors thank Pedro S. Sánchez and Dr. Rudolf Weeber for fruitful discussions and useful recommendations.
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- 2022
33. Simulations Lattice-Boltzmann pour la dispersion atmosphérique de polluants liés au traif croutier en milieu urbain
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Pasquier, Mathis, Jay, Stéphane, Sagaut, Pierre, Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Centre National de la Recherche Scientifique (CNRS), and IFP Energies nouvelles (IFPEN)
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traffic emissions ,[PHYS]Physics [physics] ,[SPI]Engineering Sciences [physics] ,turbulent atmospheric flows ,[INFO]Computer Science [cs] ,[MATH]Mathematics [math] ,pollutant dispersion ,Lattice-Boltzmann - Abstract
International audience; The developing field of urban physics includes computational fluid dynamics (CFD) as a tool to model wind comfort, heat management and pollutant dispersion in cities. In particular, road traffic emissions significantly contribute to air pollution and should be considered in atmospheric dispersion simulations. To this end, the lattice-Boltzmann method (LBM) offers a promising alternative to traditional finite-volume CFD solvers in terms of computational cost and accuracy. At IFP Energies Nouvelles (IFPEN), a recent emission model relying on real-life driving data recorded with a mobile application was used to construct urban emission maps. However, it has not been coupled yet with a precise unsteady CFD solver, which could provide local unsteady and accurate information about local concentration fields. We propose to combine the LBM open-source code OpenLB with the emission model designed at IFPEN to simulate traffic-induced pollutant dispersion in an urban-like environment. The LBM code is used to solve the Navier-Stokes equations as well as the passive scalar transport with a double distribution function (DDF) approach. The solver is successfully validated on the well-known CODASC test case and a first evaluation of the impact of a representative urban setting on pollutant dispersion with non-uniform sources is proposed.; La discipline en plein essor de la physique urbaine inclut la dynamique des fluides numérique comme un outil pour modéliser le confort au vent, le confort thermique, la gestion de l'énergie et la dispersion de polluants dans les villes. En particulier, les émissions routières contribuent siginificativement à la déterioration de la qualité de l'air et doivent être prises en compte dans les modélisations numériques de la dispersion. Pour cela, la méthode Lattice-Boltzmann (LBM) offre une alternative crédible et prometteuse aux volumes finis traditionnels en termes de coût de calcul et de précision. Chez IFPEN, un modèle d'émissions routières a basé sur des données de conduite mesurées sur le terrain grâce à une application mobile a été développé récemment et permet de construire des cartographies d'émissions urbaines. Cependant, ce modèle n'a pas encore été couplé à un modèle de dispersion atmosphérique de haute fidélité, ce qui permettrait d'obtenir des informations précises sur les niveaux de concentration locaux asociés aux émisisons. Nous proposons donc de coupler le solveur LBM avec le modèle d'émissions IFPEN pour simuler la dispersion de polluants liés au trafic routier en ville. Le solveur CFD résout les équations de Navier-Stokes et une équation d'advection-diffusion pour le scalaire passif en utilisant une approche à deux fonctions de distribution (DDF). La validation est conduite sur le cas CODASC pour la dispersion en canyon et une première évaluation de la dispersion en géométrie réaliste en utilisant des sources non-uniformes est proposée.
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- 2022
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34. The Influence of Electrolyte Flow Hydrodynamics on the Performance of a Microfluidic Dye-Sensitized Solar Cell
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Roman Szafran and Mikita Davykoza
- Subjects
Fluid Flow and Transfer Processes ,RFB ,Technology ,QH301-705.5 ,Process Chemistry and Technology ,Physics ,QC1-999 ,General Engineering ,microfluidics ,LBM ,Engineering (General). Civil engineering (General) ,Computer Science Applications ,Chemistry ,DSSC ,CFD ,SRFB ,microflows ,lattice-Boltzmann ,energy storage ,flow battery ,micro-PIV ,General Materials Science ,TA1-2040 ,Biology (General) ,Instrumentation ,QD1-999 - Abstract
The dye-sensitized solar cells microfluidically integrated with a redox flow battery (µDSSC-RFB) belong to a new emerging class of green energy sources with an inherent opportunity for energy storage. The successful engineering of microfluidically linked systems is, however, a challenging subject, as the hydrodynamics of electrolyte flow influences the electron and species transport in the system in several ways. In the article, we have analyzed the microflows hydrodynamics by means of the lattice-Boltzmann method, using the algebraic solution of the Navier-Stokes equation for a duct flow and experimentally by the micro particle image velocimetry method. Several prototypes of µDSSC were prepared and tested under different flow conditions. The efficiency of serpentine µDSSC raised from 2.8% for stationary conditions to 3.1% for electrolyte flow above 20 mL/h, while the fill factor increased about 13% and open-circuit voltage from an initial 0.715 V to 0.745 V. Although the hexagonal or circular configurations are the straightforward extensions of standard photo chambers of solar cells, those configurations are hydrodynamically less predictable and unfavorable due to large velocity gradients. The serpentine channel configuration with silver fingers would allow for the scaling of the µDSSC-RFB systems to the industrial scale without loss of performance. Furthermore, the deterioration of cell performance over time can be inhibited by the periodic sensitizer regeneration, which is the inherent advantage of µDSSC.
- Published
- 2021
35. Lagrangian sensors in a stirred tank reactor: Comparing trajectories from 4D-Particle Tracking Velocimetry and Lattice-Boltzmann simulations
- Author
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Sebastian Hofmann, Christian Weiland, Jürgen Fitschen, Alexandra von Kameke, Marko Hoffmann, and Michael Schlüter
- Subjects
General Chemical Engineering ,Flow-following ,Lagrangian sensor particle tracking ,Environmental Chemistry ,Ingenieurwissenschaften [620] ,4D-Particle Tracking Velocimetry ,General Chemistry ,ddc:620 ,CFD ,Industrial and Manufacturing Engineering ,Lattice-Boltzmann ,Trajectories - Abstract
In this study, three-dimensional flow measurements by means of 4D-Particle Tracking Velocimetry (4D-PTV) are carried out in a laboratory-scale 3 L stirred tank reactor in order to investigate the flow-following behavior of two different inertial particle types, Polyethylene (PE) particles and alginate beads, at different impeller frequencies. Applied particles mimic Lagrangian sensor particles, which are intended to determine process parameters such as oxygen concentration at their corresponding position inside a bioreactor. Accompanying Lattice-Boltzmann Large Eddy Simulations (LB LES) provide additional information about the fluid flow and the difference in the trajectories between inertial and non-inertial particles. The data acquired from LB LES is validated with the experimental data by means of a Lagrangian and a Eulerian approach. In their tail, the probability distributions show higher Lagrangian velocities and accelerations for 4D-PTV data compared to LB LES data. Time-averaged Eulerian data is utilized to determine particle Reynolds numbers lower than 200. The Stokes number distributions show 10-fold higher values for the alginate beads than for PE particles, however, both particle types do not sufficiently meet the criterion of a flow-following Stokes number of St≤0.01. Generally, time-averaged results from LB LES are in good accordance to the 4D-PTV data. From the LB LES, a theoretical, maximum particle diameter of approx. 20 μm is determined, which meets the criterion of St≤0.01 throughout the reactor. This result implies that with current sensor particle technology it is not possible to meet the flow-following behavior and depict the lifelines of cells during a cultivation process. Therefore, further research is necessary to understand particle trajectories and to translate them into lifelines of cells. Deutsche Forschungsgemeinschaft (DFG)
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- 2022
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36. Blending and cavern formation within non-Newtonian fluids in stirred tanks: Application to nuclear waste fluid processing.
- Author
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Noble, Sean, Poirier, Michael, and Thomas, John
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- *
RADIOACTIVE wastes , *RADIOACTIVE waste disposal , *NON-Newtonian fluids , *PROPERTIES of fluids , *LATTICE Boltzmann methods , *GLASS waste - Abstract
• Lattice Boltzmann methodology to predict behavior in fluid mechanical systems. • CFD used to model two-fluid blending of non-Newtonian fluids. • CFD used to accurately model mixing of yield stress fluids. • Mixing of radioactive slurry waste and glass frit was modeled using CFD. A numerical approach for predicting the time-accurate fluid flow and mixing properties of non-Newtonian fluids is presented. This approach, which is based on the lattice Boltzmann method, is used to characterize the blending in shear-thinning fluids, as well as cavern formation in yield-stress fluids. Predictions compare favorably to measured data and expectations from first-principles theory. Importantly, across the range of fluids and systems here, the simulations require no reparameterization or retuning between scenarios. This generality is exploited to model a nuclear waste processing unit operation. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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37. On the Rossiter-Heller frequency of resonant cavities.
- Author
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Casalino, Damiano, Gonzalez-Martino, Ignacio, and Mancini, Simone
- Subjects
- *
MACH number , *CONVECTIVE flow , *SUPERSONIC flow , *FLOW simulations , *EXPERIMENTAL literature , *FREE convection - Abstract
The goal of this paper is to revise the Rossiter-Heller formula of cavity resonance frequencies for rectangular cavities in subsonic and supersonic flow conditions. Two modifications are proposed; the first one consists in using a second-order polynomial fit of literature experimental data for the non-dimensional time lag coefficient as a function of the cavity aspect ratio. The second modification consists in taking into account the reversed flow convective effects in the calculation of the backward acoustic propagation time, by including the reversed flow Mach number in the formula, expressed as a function of the free-stream Mach number and cavity aspect ratio. A second-order polynomial fit of scale-resolving flow simulation results of the reversed flow Mach number is used to derive the final resonance frequency formula. The effects of the two modifications are investigated for three values of the aspect ratio in the range 5 to 10, and four values of the free-stream Mach number in the range 0.6 to 1.35. It is concluded that taking into account both modifications yields globally more accurate predictions of the resonance frequencies. Finally, an attempt is made to identify the nature of additional tones observed for the deep supersonic case around the fourth and fifth Rossiter-Heller resonance modes. [ABSTRACT FROM AUTHOR]
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- 2022
- Full Text
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38. Lagrangian sensors in a stirred tank reactor: Comparing trajectories from 4D-Particle Tracking Velocimetry and Lattice-Boltzmann simulations.
- Author
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Hofmann, Sebastian, Weiland, Christian, Fitschen, Jürgen, von Kameke, Alexandra, Hoffmann, Marko, and Schlüter, Michael
- Subjects
- *
LARGE eddy simulation models , *THREE-dimensional flow , *VELOCIMETRY , *FLUID flow , *DETECTORS , *LAGRANGIAN functions - Abstract
In this study, three-dimensional flow measurements by means of 4D-Particle Tracking Velocimetry (4D-PTV) are carried out in a laboratory-scale 3 L stirred tank reactor in order to investigate the flow-following behavior of two different inertial particle types, Polyethylene (PE) particles and alginate beads, at different impeller frequencies. Applied particles mimic Lagrangian sensor particles, which are intended to determine process parameters such as oxygen concentration at their corresponding position inside a bioreactor. Accompanying Lattice-Boltzmann Large Eddy Simulations (LB LES) provide additional information about the fluid flow and the difference in the trajectories between inertial and non-inertial particles. The data acquired from LB LES is validated with the experimental data by means of a Lagrangian and a Eulerian approach. In their tail, the probability distributions show higher Lagrangian velocities and accelerations for 4D-PTV data compared to LB LES data. Time-averaged Eulerian data is utilized to determine particle Reynolds numbers lower than 200. The Stokes number distributions show 10-fold higher values for the alginate beads than for PE particles, however, both particle types do not sufficiently meet the criterion of a flow-following Stokes number of S t ≤ 0. 01. Generally, time-averaged results from LB LES are in good accordance to the 4D-PTV data. From the LB LES, a theoretical, maximum particle diameter of approx. 20 μ m is determined, which meets the criterion of S t ≤ 0. 01 throughout the reactor. This result implies that with current sensor particle technology it is not possible to meet the flow-following behavior and depict the lifelines of cells during a cultivation process. Therefore, further research is necessary to understand particle trajectories and to translate them into lifelines of cells. • Inertial particles are analyzed regarding their flow-following behavior in a 3 L STR. • They act as downsized Lagrangian sensor particles that are applied at industrial scale. • 4D-PTV measurement results are used to validate Lattice-Boltzmann simulations. • Particle Reynolds- and Stokes numbers are spatially evaluated throughout the reactor. • Used particles do not follow the flow, and thus sensors do not depict cell lifelines. [ABSTRACT FROM AUTHOR]
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- 2022
- Full Text
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39. 2D simulation flue implementing the lattice-boltzmann method
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Universidad EAFIT. Departamento de Ingeniería de Sistemas, I+D+I en Tecnologías de la Información y las Comunicaciones, Ruiz, D.B., Mesa, A.A., Alvis, R.G., Universidad EAFIT. Departamento de Ingeniería de Sistemas, I+D+I en Tecnologías de la Información y las Comunicaciones, Ruiz, D.B., Mesa, A.A., and Alvis, R.G.
- Abstract
Currently in the process of engineering, but increasingly implemented simulation methods since they are an economical and feasible to predict the behavior of some variable you wish to benefit. The problem of fluid simulation is a broad field of study, traditionally in this area are implemented domain discretization methods, volumes, differences or finite elements (Computational Fluid Dynamics), in this work, a different approach where the discretization is made on the physical properties of fluid and the fluid for reconstruction from its microscopic properties, simulating these, propagating Boltzmann distribution functions for the grid of nodes, this set is comprised of a fluid group of nodes, nodes fluid the border and nodes structure, docked the method to the boundary conditions necessary to simulate Glycerol in a pipe. © (2014) Trans Tech Publications, Switzerland.
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- 2021
40. Modelling stress-induced permeability alterations in sandstones using CT scan-based representations of the pore space morphology
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Ehab Moustafa Kamel, Karim, Gerard, Pierre, Colliat, Jean-Baptiste, Massart, Thierry,Jacques, Ehab Moustafa Kamel, Karim, Gerard, Pierre, Colliat, Jean-Baptiste, and Massart, Thierry,Jacques
- Abstract
This contribution presents an integrated and automated methodology for the computational analysis of permeability alterations in natural rocks under varying stress states, taking explicitly into account the complexity of the rock microstructure. The capacity of the methodology is highlighted on a subset of the microCT scans of a Vosges sandstone. After the generation of a high quality conformal mesh of the subset, isotropic compression at the scale of the microstructure is applied through FEM simulations. The adoption of non linear elastoplastic constitutive laws allows considering the local stress redistributions within the specimen. The mechanical loading of the subset highlights pore closures by local plastification. Permeability is evaluated at different confining pressures using the Lattice-Bolzmann method. Such a procedure allows analysing the impact of the pore space morphology (i.e. total porosity, pore size distribution, connectivity of the pore space, etc.) as well as the mechanical properties (i.e. stiffness and shear strength) on the evolution of the permeability under loading., info:eu-repo/semantics/published
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- 2021
41. Image-based modelling of complex heterogeneous microstructures: Application to deformation-induced permeability alterations in rocks
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Massart, Thierry,Jacques, Gerard, Pierre, Parente, Alessandro, Francois, Bertrand, Colliat, Jean-Baptiste, Selvadurai, Patrick A.P.S., Viggiani, Gioacchino, Ehab Moustafa Kamel, Karim, Massart, Thierry,Jacques, Gerard, Pierre, Parente, Alessandro, Francois, Bertrand, Colliat, Jean-Baptiste, Selvadurai, Patrick A.P.S., Viggiani, Gioacchino, and Ehab Moustafa Kamel, Karim
- Abstract
The permeability of rocks has a critical influence on their fluid transport response in critical geo-environmental applications, such as pollutant transport or underground storage of hazardous nuclear waste. In such processes, the materials microstructure may be altered as a result of various stimuli, thereby impacting the fluid transfer properties. Stress or strain state modifications are one of the main causes for such evolutions. To numerically address this concern, an integrated and automated numerical tool was developed and illustrated on subsets of microCT scans of a Vosges sandstone (i) to explore the links between the pore space properties and the corresponding macroscopic transfer properties, with (ii) an incorporation of the microstructural alterations associated with stress state variations by using a realistic image-based representation of the microstructural morphology. The ductile mechanical deformation behavior under high confining pressures at the scale of the microstructure, inducing pore closures by local plastifications, was modelled using finite elements simulations with a non-linear elastoplastic law, allowing to take into account the redistribution of local stresses. These simulations require robust discretization tools to capture the complex geometry of the porous network and the corresponding solid boundaries of the heterogeneous microstructural geometries. To achieve this, an integrated approach for the conformal discretization of complex implicit geometries based on signed distance fields was developed, producing high quality meshes from both imaging techniques and computational RVE generation methodologies. This conforming discretization approach was compared with an incompatible mode-based framework using a non conforming approach. This comparison highlighted the complementarity of both methods, the former capturing the effect of more detailed geometrical features, while the latter is more flexible as it allows using the same (non conform, Doctorat en Sciences de l'ingénieur et technologie, info:eu-repo/semantics/nonPublished
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- 2021
42. Linking rhizosphere processes across scales: Opinion
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Mutez Ali Ahmed, Ani M, Mathieu Javaux, Michael Bonkowski, Jonas Bentz, Lehndorff E, Magdalena Landl, Schulz R, Andrea Carminati, Eva Kroener, Carsten W. Mueller, Lieu A, Dörte Diehl, Mathilde Brax, Patrick Duddek, Maxime Phalempin, Eva Oburger, Alexander Prechtel, Doris Vetterlein, Wilfred Otten, Andrea Schnepf, Pascal Benard, Eva Lippold, Jan Vanderborght, and UCL - SST/ELI/ELIE - Environmental Sciences
- Subjects
MAIZE RHIZOSPHERE ,Emergent behaviour ,Soil Science ,Plant Science ,Modelling ,Rhizosphere ,Up- and downscaling ,WATER ,PLANT ,Transpiration ,RHIZODEPOSITION ,Science & Technology ,ROOT HAIRS ,Scale (chemistry) ,Plant Sciences ,LATTICE-BOLTZMANN ,Experimental data ,Agriculture ,Soil carbon ,Agronomy ,Field (geography) ,SOIL ,MODEL ,MUCILAGE ,ddc:580 ,Soil structure ,Soil water ,Environmental science ,NUTRIENT-UPTAKE ,Biological system ,Life Sciences & Biomedicine - Abstract
Purpose Simultaneously interacting rhizosphere processes determine emergent plant behaviour, including growth, transpiration, nutrient uptake, soil carbon storage and transformation by microorganisms. However, these processes occur on multiple scales, challenging modelling of rhizosphere and plant behaviour. Current advances in modelling and experimental methods open the path to unravel the importance and interconnectedness of those processes across scales. Methods We present a series of case studies of state-of-the art simulations addressing this multi-scale, multi-process problem from a modelling point of view, as well as from the point of view of integrating newly available rhizosphere data and images. Results Each case study includes a model that links scales and experimental data to explain and predict spatial and temporal distribution of rhizosphere components. We exemplify the state-of-the-art modelling tools in this field: image-based modelling, pore-scale modelling, continuum scale modelling, and functional-structural plant modelling. We show how to link the pore scale to the continuum scale by homogenisation or by deriving effective physical parameters like viscosity from nano-scale chemical properties. Furthermore, we demonstrate ways of modelling the links between rhizodeposition and plant nutrient uptake or soil microbial activity. Conclusion Modelling allows to integrate new experimental data across different rhizosphere processes and scales and to explore more variables than is possible with experiments. Described models are tools to test hypotheses and consequently improve our mechanistic understanding of how rhizosphere processes impact plant-scale behaviour. Linking multiple scales and processes including the dynamics of root growth is the logical next step for future research., Plant and Soil, 478, ISSN:0032-079X, ISSN:1573-5036
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- 2021
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43. Lattice-Boltzmann calculations of rotor aeroacoustics in transitional boundary layer regime.
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Casalino, Damiano, Romani, Gianluca, Zhang, Raoyang, and Chen, Hudong
- Subjects
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AEROACOUSTICS , *REYNOLDS number , *ANGULAR velocity , *FLOW separation , *ROTORS , *MOUNTAIN wave , *TURBULENCE - Abstract
The goal of this paper is to demonstrate the predictive capabilities of the Lattice-Boltzmann/Very-Large-Eddy-Simulation CFD solver SIMULIA PowerFLOW® when a transitional flow past a small drone rotor blade is simulated, without using any numerical or physical turbulence triggering system. A recently developed variant of PowerFLOW VLES model is validated against measurements performed at Delft University of Technology. A 2-bladed propeller of 0.3 m diameter is considered, which is operated at 4000 and 5000 RPM and two different advance ratios, 0.0 and 0.6, for each angular velocity. In such conditions, corresponding to a Reynolds number based on the chord at 75% of the tip radius ranging between 7 ⋅ 10 4 and 9 ⋅ 10 4 , the presence of a laminar separation bubble was experimentally observed and related to the occurrence of a high-frequency broadband noise hump in the far-field noise spectra. The numerical results are in a good agreement with the loading, noise and PIV experimental measurements, demonstrating the capability of the new PowerFLOW VLES model to predict boundary layer flow transitional phenomena such as laminar separation, reattachment and transition to turbulence, as well as the corresponding broadband trailing-edge noise radiation. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
44. Image-based modelling of complex heterogeneous microstructures: Application to deformation-induced permeability alterations in rocks
- Author
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Ehab Moustafa Kamel, Karim, Massart, Thierry,Jacques, Gerard, Pierre, Parente, Alessandro, Francois, Bertrand, Colliat, Jean-Baptiste, Selvadurai, Patrick A.P.S., and Viggiani, Gioacchino
- Subjects
Permeability alteration ,Rock Mechanics ,Automated Conforming Meshing ,Implicit geometries ,Finite Elements ,Sciences de l'ingénieur ,Image-based Modelling ,Lattice-Boltzmann - Abstract
The permeability of rocks has a critical influence on their fluid transport response in critical geo-environmental applications, such as pollutant transport or underground storage of hazardous nuclear waste. In such processes, the materials microstructure may be altered as a result of various stimuli, thereby impacting the fluid transfer properties. Stress or strain state modifications are one of the main causes for such evolutions. To numerically address this concern, an integrated and automated numerical tool was developed and illustrated on subsets of microCT scans of a Vosges sandstone (i) to explore the links between the pore space properties and the corresponding macroscopic transfer properties, with (ii) an incorporation of the microstructural alterations associated with stress state variations by using a realistic image-based representation of the microstructural morphology. The ductile mechanical deformation behavior under high confining pressures at the scale of the microstructure, inducing pore closures by local plastifications, was modelled using finite elements simulations with a non-linear elastoplastic law, allowing to take into account the redistribution of local stresses. These simulations require robust discretization tools to capture the complex geometry of the porous network and the corresponding solid boundaries of the heterogeneous microstructural geometries. To achieve this, an integrated approach for the conformal discretization of complex implicit geometries based on signed distance fields was developed, producing high quality meshes from both imaging techniques and computational RVE generation methodologies. This conforming discretization approach was compared with an incompatible mode-based framework using a non conforming approach. This comparison highlighted the complementarity of both methods, the former capturing the effect of more detailed geometrical features, while the latter is more flexible as it allows using the same (non conforming) mesh for potentially variable geometries.The evolution of permeability was evaluated at different confining pressure levels using the Lattice-Bolzmann method. This uncoupled solid-fluid interaction made it possible to study the combined influence on the permeability, porosity and the pores size distribution of the pore space morphology and the solid skeleton constitutive law parameters during loading and unloading conditions. The results highlight the need to consider elastoplastic laws and heterogeneities in the rock model to simulate the ductile behavior of rocks at high confining pressures leading to significant permeability alterations under loading, and irreversible alterations under loading/unloading cycles induced by progressive pore closures.The proposed methodology is designed to be flexible thanks to the interfacing with 'classical' discretization approaches and can be easily readapted to other contexts given the block approach., Doctorat en Sciences de l'ingénieur et technologie, info:eu-repo/semantics/nonPublished
- Published
- 2021
45. Diffuse interface method for fluid flow and heat transfer in cellular solids.
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Ettrich, J. and Nestler, B.
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FLUID flow , *HEAT transfer , *NUMERICAL analysis , *FINITE differences , *FINITE element method , *BOLTZMANN factor - Abstract
This work presents a contribution on the numerical modelling capabilities for the simulation of fluid flow and heat transfer in cellular solids – in particular we focus on open cell aluminium foams. Rather than applying one of the classical academical or commercial numerical finite volume (FV), finite difference (FD) or finite element (FE) interface tracking methods, we base our models on an interface capturing phase field method (Nestler, 2005). A coupled diffuse interface lattice Boltzmann fluid flow solver (Ettrich, 2014) and a diffuse interface heat transfer approach (Ettrich et al., 2014) are combined in view of dealing with even more convoluted geometries, incorporating the dynamics of interfaces and complex multiphysics applications. Numerical results for the combined fluid flow and heat transfer simulations in open cell metal foams are in very good agreement with experimental data (Ettrich and Martens, 2012; Ettrich et al., 2012). [ABSTRACT FROM AUTHOR]
- Published
- 2015
- Full Text
- View/download PDF
46. Effects of Circular Riblets Rough Microchannel on Friction and Fluid Flow using LBM.
- Author
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Taher, M.A., Saha, L.K., and Lee, Y.W.
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MICROCHANNEL flow ,FRICTION ,FLUID dynamics ,LATTICE Boltzmann methods ,KNUDSEN flow - Abstract
Simulation of fluid flow and friction in a circular shaped ribbed microchannel using the Lattice Boltzmann Method (LBM) has been studied in the present paper. In micro-flows, the local density variation is still relatively small, but the total density changes, therefore, in order to account this density variation and its effect on the kinematic viscosity ν , a new relaxation time is used. The roughness geometry is modeled as a series of circular riblets with a relative roughness (ɛ) height up to a maximum 10% of the channel height. To analyze the roughness effects, the friction coefficients in terms of Poiseuille number, Pn, has been discussed. Actually, the friction factor properties of riblets, depending on the particular geometry, are analyzed in the slip flow regime at Knudsen number, Kn, ranging from 0.01 to 0.10 with other controlling parameters. The velocity profiles in terms streamlines near the riblets are demonstrated to be responsible for the roughness effect. Finally the results have been compared with previous published works and it is found to be in good agreement. [ABSTRACT FROM AUTHOR]
- Published
- 2015
- Full Text
- View/download PDF
47. Particle-Size Effects on the Enhanced Diffusion of Tracer Particles in Microswimmer Suspensions
- Author
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Nüsslein, Andre and Nüsslein, Andre
- Abstract
Active suspensions of microswimmers such as bacteria or microalgae are found in oceans or lakes, and within living organisms, such as the human body. These suspensions can exhibit complex flow patterns and enhanced diffusion of passive tracer particles due to the advection from the long-ranged dipolar flow fields of the swimmers. The diffusion of tracers at varying radii is poorly understood but one recent experimental study points to a non-monotonic behaviour with a certain radius that maximizes diffusion. In this thesis, we study the effect of nonlinearities in the flow field on the effective diffusion of spherical tracer particles. To do so, we model the swimmers as force dipoles which create a known fluid field around them. In a single-swimmer-single-tracer simulation, this field is used directly to study the advection while a lattice Boltzmann simulation allows for many-particle simulations. For non-interacting swimmers, corresponding to very dilute suspensions, we find that the diffusion coefficient as a function of tracer radius is non-monotonic, although it is convex in the probed range. However, the simple one-swimmer-one-tracer simulation indicates that the many-particle simulation is only valid below a certain tracer radius (R = 2.5 × the swimmers’ length) where the function is slightly decreasing. In this range, for interacting swimmers, the effect of interaction is increased for both of the studied swimmer types, pushers and pullers.
- Published
- 2020
48. Lattice-Boltzmann simulation of creeping generalized Newtonian flows: theory and guidelines
- Author
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Julien Favier, Simon Gsell, Umberto D'Ortona, Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), Centre National de la Recherche Scientifique (CNRS)-École Centrale de Marseille (ECM)-Aix Marseille Université (AMU), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Centre National de la Recherche Scientifique (CNRS), and ANR-18-CE45-0009,SINUMER,SImulateur NUmérique Multi-échelle d'Epithélium Respiratoire(2018)
- Subjects
Physics and Astronomy (miscellaneous) ,Lattice Boltzmann methods ,010103 numerical & computational mathematics ,01 natural sciences ,[SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph] ,Physics::Fluid Dynamics ,Viscosity ,symbols.namesake ,Newtonian fluid ,0101 mathematics ,lattice-Boltzmann ,Mathematics ,Numerical Analysis ,Applied Mathematics ,Reynolds number ,Mechanics ,creeping flows ,Computer Science Applications ,010101 applied mathematics ,Computational Mathematics ,non-Newtonian flows ,Mach number ,Flow (mathematics) ,Modeling and Simulation ,symbols ,Compressibility ,Knudsen number - Abstract
The accuracy of the lattice-Boltzmann (LB) method is related to the relaxation time controlling the flow viscosity. In particular, it is often recommended to avoid large fluid viscosities in order to satisfy the low-Knudsen-number assumption that is essential to recover hydrodynamic behavior at the macroscopic scale, which may in principle limit the possibility of simulating creeping flows and non-Newtonian flows involving important viscosity variations. Here it is shown, based on the continuous Boltzmann equations, that a two-relaxation-time (TRT) model can however recover the steady Navier-Stokes equations without any restriction on the fluid viscosity, provided that the Knudsen number is redefined as a function of both relaxation times. This effective Knudsen number is closely related to the previously-described parameter controlling numerical errors of the TRT model, providing a consistent theory at both the discrete and continuous levels. To simulate incompressible flows, the viscous incompressibility condition M a 2 / R e ≪ 1 also needs to be satisfied, where Ma and Re are the Mach and Reynolds numbers. This concept is extended by defining a local incompressibility factor, allowing one to locally control the accuracy of the simulation for flows involving varying viscosities. These theoretical arguments are illustrated based on numerical simulations of the two-dimensional flow past a square cylinder. In the case of a Newtonian flow, the viscosity independence is confirmed for relaxation times up to 104, and the ratio M a 2 / R e = 0.1 is small enough to ensure reliable incompressible simulations. The Herschel-Bulkley model is employed to introduce shear-dependent viscosities in the flow. The proposed numerical strategy allows to achieve major viscosity variations, avoiding the implementation of artificial viscosity cut-off in high-viscosity regions. Highly non-linear flows are simulated over ranges of the Bingham number B n ∈ [ 1 , 1000 ] and flow index n ∈ [ 0.2 , 1.8 ] , and successfully compared to prior numerical works based on Navier-Stokes solvers. This work provides a general framework to simulate complex creeping flows, as encountered in many biological and industrial systems, using the lattice-Boltzmann method.
- Published
- 2021
- Full Text
- View/download PDF
49. LBcuda: a high-performance CUDA port of LBsoft for simulation of colloidal systems
- Author
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Fabio Bonaccorso, Marco Lauricella, Andrea Montessori, Giorgio Amati, Massimo Bernaschi, Filippo Spiga, Adriano Tiribocchi, Sauro Succi, Bonaccorso, F., Lauricella, M., Montessori, A., Amati, G., Bernaschi, M., Spiga, F., Tiribocchi, A., and Succi, S.
- Subjects
Hardware and Architecture ,Colloid ,GPU ,Fluid Dynamics (physics.flu-dyn) ,General Physics and Astronomy ,FOS: Physical sciences ,CUDA ,Physics - Fluid Dynamics ,Computational Physics (physics.comp-ph) ,Physics - Computational Physics ,Lattice-Boltzmann - Abstract
We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared to the CPU version, using both an average cost GPU and high-end NVidia GPU cards (V100 and the latest A100). The results show a substantial acceleration for the fluid solver reaching up to 200 GLUPS (Giga Lattice Updates Per Second) on a cluster made of 512 A100 NVIDIA cards simulating a grid of eight billion lattice points. These results open attractive prospects for the computational design of new materials based on colloidal particles., Comment: 27 pages, 5 figures
- Published
- 2021
- Full Text
- View/download PDF
50. Lattice-Boltzmann coupled models for advection–diffusion flow on a wide range of Péclet numbers
- Author
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Stephan Simonis, John Bridgeman, Davide Dapelo, and Mathias J. Krause
- Subjects
General Computer Science ,Lattice Boltzmann methods ,02 engineering and technology ,Péclet number ,01 natural sciences ,Stability (probability) ,010305 fluids & plasmas ,Theoretical Computer Science ,Physics::Fluid Dynamics ,symbols.namesake ,0103 physical sciences ,OpenLB ,0202 electrical engineering, electronic engineering, information engineering ,Advection–diffusion ,Applied mathematics ,ddc:510 ,Physics ,Advection ,Solver ,Finite-difference ,Flow (mathematics) ,Rate of convergence ,Modeling and Simulation ,symbols ,020201 artificial intelligence & image processing ,Mathematics ,Numerical stability ,Lattice-Boltzmann - Abstract
Traditional Lattice-Boltzmann modelling of advection–diffusion flow is affected by numerical instability if the advective term becomes dominant over the diffusive (i.e., high-Peclet flow). To overcome the problem, two 3D one-way coupled models are proposed. In a traditional model, a Lattice-Boltzmann Navier–Stokes solver is coupled to a Lattice-Boltzmann advection–diffusion model. In a novel model, the Lattice-Boltzmann Navier–Stokes solver is coupled to an explicit finite-difference algorithm for advection–diffusion. The finite-difference algorithm also includes a novel approach to mitigate the numerical diffusivity connected with the upwind differentiation scheme. The models are validated using two non-trivial benchmarks, which includes discontinuous initial conditions and the case Pe g → ∞ for the first time, where Pe g is the grid Peclet number. The evaluation of Pe g alongside Pe is discussed. Accuracy, stability and the order of convergence are assessed for a wide range of Peclet numbers. Recommendations are then given as to which model to select depending on the value Pe g —in particular, it is shown that the coupled finite-difference/Lattice-Boltzmann provide stable solutions in the case Pe → ∞ , Pe g → ∞ .
- Published
- 2021
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