Article
Physics, Fluids & Plasmas
Surabhi Jaiswal, Soudamini Sahoo, Snigdha Thakur
Summary: A mesoscopic simulation model is proposed to study phase separation in a 3D binary fluid mixture by improving the existing particle-based multiparticle collision dynamics (MPCD) algorithm. The model incorporates the excluded-volume interaction between the two components to describe the nonideal equation of the fluid state within the framework of stochastic collision, which depends on the local fluid composition and velocity. The thermodynamic consistency of the model is confirmed by comparing the nonideal pressure contribution from simulation and analytics. A phase diagram is explored to investigate the parameter range for phase separation, and the model results agree with literature for various temperatures and parameters.
Article
Computer Science, Interdisciplinary Applications
M. Ho, S. Ammar, S. Leclaire, M. Reggio, J-Y Trepanier
Summary: Two lattice Boltzmann method (LBM) models for binary mixture flows were compared numerically, and the results showed that the performance of the two models differs under the incompressible limit and has different influences on the flow behavior under different flow regimes.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
(2022)
Article
Physics, Mathematical
Andre S. Nunes, Rodrigo C. V. Coelho, Vasco C. Braz, Margarida M. Telo da Gama, Nuno A. M. Araujo
Summary: We investigate the sedimentation dynamics of a binary mixture consisting of species with different Stokes coefficients but otherwise identical. Using Brownian dynamics simulations and the lattice Boltzmann method, we analyze the sedimentation dynamics and morphology of the final deposits. We find that the species in the final deposit are segregated above a threshold difference in sedimentation velocities, and the degree of segregation increases with the difference in Stokes coefficients or sedimentation velocities. We propose a simple analytical model that captures the main features of the simulated deposits.
COMMUNICATIONS IN COMPUTATIONAL PHYSICS
(2022)
Article
Physics, Fluids & Plasmas
Zhaoli Guo, Lian-Ping Wang, Yiming Qi
Summary: In this paper, a discrete unified gas kinetic scheme (DUGKS) is proposed for continuum compressible gas flows based on the total energy kinetic model. The DUGKS can be viewed as a special finite-volume lattice Boltzmann method for the compressible Navier-Stokes equations in the double distribution function formulation. The computational efficiency of the proposed DUGKS is much improved compared to previous versions.
Article
Physics, Fluids & Plasmas
N. G. Kallikounis, B. Dorschner, I. V. Karlin
Summary: The study utilizes the particles-on-demand method to simulate compressible flows with strong discontinuities in density, pressure, and velocity. The method is modified through regularization by Grad's projection and reference frame transformations, as well as the implementation of a finite-volume scheme to improve stability, accuracy, and conservation of mass, momentum, and energy. The proposed model demonstrates excellent performance in various benchmarks, surpassing the limitations of other lattice Boltzmann-like approaches to compressible flows.
Article
Mechanics
M. H. Saadat, S. A. Hosseini, B. Dorschner, I. V. Karlin
Summary: The two-population lattice Boltzmann model proposed in this study accurately simulates compressible flows, demonstrating good performance even in the presence of turbulence and shock waves.
Article
Physics, Multidisciplinary
Junjie Ren, Shengzhen Wang, Xiaoxue Liu
Summary: In this study, an axisymmetric lattice Boltzmann model was developed to simulate microcylindrical Couette gas flows in the slip regime and transition regime. By introducing local effective Knudsen numbers, the effect of Knudsen layers for transition flows was successfully considered.
Article
Thermodynamics
Zhangyan Zhao, Mengke Wen, Weidong Li
Summary: This study introduces a coupled gas kinetic BGK scheme based on the finite volume lattice Boltzmann method for nearly incompressible thermal flows. The method determines fluxes analytically to reduce numerical dissipation and adopts implicit collision for efficiency improvement. Numerical results confirm the accuracy and reliability of the proposed scheme.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Multidisciplinary Sciences
Kai H. Luo, Linlin Fei, Geng Wang
Summary: This work introduces a unified lattice Boltzmann model framework that integrates various collision operators, allowing for easier model comparison and development. The flexibility of this framework in addressing different multiphase flow problems demonstrates the power of lattice Boltzmann method and makes it more accessible to non-specialists.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2021)
Article
Physics, Fluids & Plasmas
Yikun Wei, Yumeng Li, Zhengdao Wang, Hui Yang, Zuchao Zhu, Yuehong Qian, Kai H. Luo
Summary: The effect of rotation on small-scale characteristics and scaling laws in the mixing zone of the three-dimensional turbulent Rayleigh-Taylor instability was investigated. Rotation suppresses the growth of mixing layer width and energy spectra, as well as narrows the width of the inertial subrange.
Article
Computer Science, Interdisciplinary Applications
Maciej Matyka, Michal Dzikowski
Summary: The study simplified the Lattice Boltzmann Method algorithm by assuming constant numerical viscosity and conducted simulations to test it. The results showed that the new method is simpler and less error-prone in implementation, requiring less working memory in low Reynolds number flows but less efficient in multiphase flows. Therefore, further extension and the moments-only formulation were proposed to address this issue.
COMPUTER PHYSICS COMMUNICATIONS
(2021)
Article
Mechanics
Dejia Zhang, Aiguo Xu, Yudong Zhang, Yanbiao Gan, Yingjun Li
Summary: This paper develops Discrete Boltzmann Models (DBMs) based on the ellipsoidal statistical Bhatnagar-Gross-Krook model to study non-equilibrium high-speed compressible flows that have various applications in engineering and science. Numerical tests demonstrate the model's ability to capture flow structures and TNE effects at different orders. The study is significant for understanding the behavior of complex fluid systems and choosing an appropriate fluid model to account for desired TNE effects.
Article
Mechanics
Yue Zhang, Peng Wang, Zhaoli Guo
Summary: The linear oscillation of rarefied binary gas mixtures inside a two-dimensional square cavity is studied, showing different flow characteristics and damping forces for different mixtures, especially the He-Xe mixture. In the free-molecular and transition regimes, the molar concentration significantly influences the anti-resonant frequency.
Article
Mechanics
Jun Lai, Zuoli Xiao, Lian-Ping Wang
Summary: A three-dimensional code based on DUGKS is developed to treat immiscible two-phase flows at large density ratios and high Reynolds numbers, with two major improvements incorporated. By reconstructing particle distribution functions and evolving phase field using lower-order equations, the approach shows good agreement with previous results and can handle realistic two-phase flow problems effectively.
Article
Computer Science, Interdisciplinary Applications
Xuguang Yang, Ting Zhang, Yuze Zhang
Summary: This paper focuses on the axisymmetric electrokinetic flows in MEMS and uses the Nernst-Planck model under the cylindrical coordinate system to describe the flows. A coupled lattice Boltzmann method is proposed to solve the axisymmetric NP model and is validated through numerical studies on circular tubes and annular ducts. The numerical results show good agreement with reported data.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
(2023)
Review
Computer Science, Interdisciplinary Applications
Sergi Molins, Cyprien Soulaine, Nikolaos I. Prasianakis, Aida Abbasi, Philippe Poncet, Anthony J. C. Ladd, Vitalii Starchenko, Sophie Roman, David Trebotich, Hamdi A. Tchelepi, Carl I. Steefel
Summary: This study introduces a benchmark problem for evaluating the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. By comparing results from five different codes, it demonstrates significant agreement both quantitatively and qualitatively, providing a strong benchmark for validating and testing pore-scale codes.
COMPUTATIONAL GEOSCIENCES
(2021)
Article
Chemistry, Physical
Guomin Yang, Nikolaos Prasianakis, Sergey Churakov
CLAYS AND CLAY MINERALS
(2020)
Article
Construction & Building Technology
Ravi A. Patel, Sergey V. Churakov, Nikolaos I. Prasianakis
Summary: Cementitious materials in underground constructions are exposed to CO2 rich ground waters leading to carbonation and calcium leaching. A novel multi-level pore-scale reactive transport model is proposed to study microstructure changes. The modeling results show good agreement with experiments in the initial stages.
CEMENT & CONCRETE COMPOSITES
(2021)
Article
Engineering, Chemical
Kerstin Cramer, Nikolaos I. Prasianakis, Bojan Niceno, Johannes Ihli, Mirko Holler, Stephan Leyer
Summary: Membrane distillation is a desalination technique that uses a membrane to separate potable water from sea or brackish water. Mass transport processes through the membrane are commonly described using the dusty gas model. Porosity, tortuosity, and permeability of the membrane are computed and compared to theoretical models.
TRANSPORT IN POROUS MEDIA
(2021)
Article
Thermodynamics
Meysam Khatoonabadi, Mohammad Amin Safi, Nikolaos I. Prasianakis, Jorg Roth, John Mantzaras, Nikolay Kirov, Felix N. Buchi
Summary: Three-dimensional direct numerical simulations were conducted to investigate the flow in a serpentine channel and porous gas diffusion layer of a micro polymer electrolyte fuel cell. The study found that the pressure drop was mainly controlled by turns in the gas channel in dry conditions, while in wet conditions it was influenced by neck-shaped passages created by water clusters inside the channel.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Multidisciplinary Sciences
Jenna Poonoosamy, Mohamed Mahrous, Enzo Curti, Dirk Bosbach, Guido Deissmann, Sergey V. Churakov, Thorsten Geisler, Nikolaos Prasianakis
Summary: The co-precipitation of sulphate minerals like celestine and barite is widely studied due to their formation in natural and artificial systems. Recent advancements combining microfluidic experiments and modeling have allowed for verification of hypotheses on transport-coupled geochemical processes. Studies show that nucleation phase compositions can be approximated using classical nucleation theory, and that the formation of oscillatory zoning in crystals is not solely controlled by limited diffusional transport of solutes.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Konstantinos Karalis, Dirk Zahn, Nikolaos Prasianakis, Bojan Niceno, Sergey Churakov
Summary: This study utilized unbiased molecular dynamics simulations to determine the molecular mechanism of bubble nucleation at the solid-water interface and found that the surface hydrophobicity and hydrophilicity strongly influence the nucleation sites. The findings provide insights for the computational aided design of new materials with improved heat removal efficiency and rationalized damage mechanisms.
SCIENTIFIC REPORTS
(2021)
Article
Energy & Fuels
Mohamed Mahrous, Enzo Curti, Sergey Churakov, Nikolaos Prasianakis
Summary: This paper aims to obtain the petrophysical parameters of Indiana limestones in order to reduce uncertainties in core-scale reactive transport simulations of carbonate rocks. By combining high resolution tomography with pore scale calculations, the rock minimum representative volume, frequency distributions of petrophysical parameters, relationships between the parameters, and the spatial correlation model and lengths of the rock have been determined.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Chemistry, Physical
Jerry P. Owusu, Konstantinos Karalis, Nikolaos I. Prasianakis, Sergey V. Churakov
Summary: In a nuclear waste repository, gases generated from the corrosion of metals and organic degradation should be able to migrate through the multibarrier system to prevent pressure build-up. Diffusion is identified as the key mechanism for gas transport in water-saturated medium, and the diffusion coefficient is influenced by nanopore size and temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Editorial Material
Environmental Sciences
Olaf Kolditz, Diederik Jacques, Francis Claret, Johan Bertrand, Sergey V. Churakov, Christophe Debayle, Daniela Diaconu, Kateryna Fuzik, David Garcia, Nico Graebling, Bernd Grambow, Erika Holt, Andres Idiart, Petter Leira, Vanessa Montoya, Ernst Niederleithinger, Markus Olin, Wilfried Pfingsten, Nikolaos I. Prasianakis, Karsten Rink, Javier Samper, Istvan Szoeke, Reka Szoeke, Louise Theodon, Jacques Wendling
Summary: Data science has become an important tool in various scientific and industrial fields, disrupting research methods. Machine learning methods have been developed to accelerate numerical simulations and applied to nuclear waste management. The challenge now is integrating multi-chemical-physical, coupled processes, multi-scale and probabilistic simulations in Digital Twins (DTw) to predict the performance of physical systems. The development of DTw concepts for geological systems in radioactive waste management is particularly challenging due to complexities and uncertainties at varying time and spatial scales.
ENVIRONMENTAL EARTH SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Tobias Jaeger, Athanasios Mokos, Nikolaos I. Prasianakis, Stephan Leyer
Summary: Membrane distillation (MD) is a thermal separation process operated below boiling point. Current research focuses on improving the performance of MD modules by studying the membrane structure and underlying mechanisms. Using realistic 3D membrane geometries obtained from X-ray computed tomography, the interaction between liquid and gas phase with the porous membrane material was investigated. The influence of different microstructures on water droplets and the air-water interface within the membrane were also studied.
Article
Materials Science, Multidisciplinary
Tobias Jager, Jemp Keup, Nikolaos I. Prasianakis, Stephan Leyer
Summary: In this paper, we study the liquid entry pressure and liquid-gas interface shape of a hydrophobic pillar-pore structure. We theoretically analyze the constant mean curvature problem and derive an analytical expression for the liquid entry pressure. We also compare our theoretical findings to multiphase lattice Boltzmann simulations and find agreement, validating our model.
Article
Physics, Fluids & Plasmas
Meysam Khatoonabadi, Nikolaos I. Prasianakis, John Mantzaras
Summary: A lattice Boltzmann model is developed for isothermal multicomponent flows with catalytic reactions, accounting for velocity slips and concentration jumps. The model shows good agreement with computational fluid dynamics results in the continuum regime and is applicable in capturing slip velocity at high Knudsen numbers.
Article
Physics, Fluids & Plasmas
Meysam Khatoonabadi, Nikolaos Prasianakis, John Mantzaras
Summary: A lattice Boltzmann model for multispecies flows with catalytic reactions is developed, showing accuracy from very low to very high surface Damkohler numbers. The modified catalytic boundary condition allows accurate chemical rate evaluation even when reactant concentration is very low at the wall. The new model demonstrates second order accuracy and provides accurate results at very high Damkohler numbers, outperforming the old model.
Article
Physics, Fluids & Plasmas
Marie-Luise Maier, Ravi A. Patel, Nikolaos Prasianakis, Sergey Churakov, Hermann Nirschl, Mathias J. Krause
Summary: Reactive particulate systems play a crucial role in process engineering applications, and modeling can be a powerful tool for optimizing process conditions. The study introduces a new generic modeling framework using a combination of lattice Boltzmann method and discrete-element method to capture relevant aspects of reactive particle fluid flows.
