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H. Bufferand, J. Bucalossi, G. Ciraolo, G. Falchetto, A. Gallo, et al.. Progress in edge plasma turbulence modelling hierarchy of models from 2D transport application to 3D fluid simulations in realistic tokamak geometry. Nuclear Fusion, IOP Publishing, 2021, 61 (11), pp.116052. ⟨10.1088/1741-4326/ac2873⟩. ⟨hal-03377162⟩ Plus de détails...
This contribution presents the recent effort at CEA and French federation for Fusion to simulate edge plasma transport with the new code SOLEDGE3X. The latter can be used both as a 2D transport code or as a 3D turbulence code. It makes possible simulating edge plasma up to the first wall including the complex wall geometry. It also includes neutral recycling and impurity sputtering, seeding and transport. In order to improve turbulence description in transport simulation, a reduced model for turbulence intensity prediction has been derived and implemented, based on "kepsilon" like models from the neutral fluid community. Applications to a JET L-mode detached plasma and to a WEST plasma are used as illustration of the code abilities
H. Bufferand, J. Bucalossi, G. Ciraolo, G. Falchetto, A. Gallo, et al.. Progress in edge plasma turbulence modelling hierarchy of models from 2D transport application to 3D fluid simulations in realistic tokamak geometry. Nuclear Fusion, IOP Publishing, 2021, 61 (11), pp.116052. ⟨10.1088/1741-4326/ac2873⟩. ⟨hal-03377162⟩
Pierre Magnico. Molecular dynamics study on water and hydroxide transfer mechanisms in PSU-g-alkyl-TMA membranes at low hydration: Effect of side chain length. International Journal of Hydrogen Energy, Elsevier, 2021, 46 (68), pp.33915-33933. ⟨10.1016/j.ijhydene.2021.07.081⟩. ⟨hal-03358207⟩ Plus de détails...
Molecular dynamics simulations with anion exchange membranes (alkyl trimethyl ammonium grafted onto polysulfone) are performed to investigate the influence of the spacer length on the transport properties, on the molecular exchange mechanisms between the functional group and the aqueous phase and on the hydrogen bond network. This is especially insightful that in this work the hydration number is small. In this condition the aqueous phase must be thought as an assembly of small clusters. The results show an unexpected dependence of the water and hydroxide (OH) diffusivity on the temperature and the water uptake. The distribution of the cluster size bonded to OH explain partially the OH diffusivity. “Hopping” and “caging” motions are observed with the self-part of the Van Hove functions even at high temperature. The characteristic time of the survival probability correlation function around the functional groups is a decreasing function of the alkyl length.
Pierre Magnico. Molecular dynamics study on water and hydroxide transfer mechanisms in PSU-g-alkyl-TMA membranes at low hydration: Effect of side chain length. International Journal of Hydrogen Energy, Elsevier, 2021, 46 (68), pp.33915-33933. ⟨10.1016/j.ijhydene.2021.07.081⟩. ⟨hal-03358207⟩
S. Baschetti, H. Bufferand, G. Ciraolo, Ph Ghendrih, E. Serre, et al.. Self-consistent cross-field transport model for core and edge plasma transport. Nuclear Fusion, IOP Publishing, 2021, 61 (10), pp.106020. ⟨10.1088/1741-4326/ac1e60⟩. ⟨hal-03380310⟩ Plus de détails...
A two-equation model to self-consistently determine cross-field fluxes in the edge and scrape-off layer region of diverted plasma is used to complete 2D mean-field edge transport description of plasma wall interaction. Inspired by the Reynolds Average Navier-Stokes simulations for neutral fluids, this model is based on the local evolution of the turbulent kinetic energy κ and its dissipation rate ε. These two equations are algebraically derived for RANS modeling and are very slightly modified and adapted to describe self-consistent plasma turbulent transport. The general features of the model are discussed and bridged to the well-known predatorprey and quasilinear models commonly used to investigate plasma transport. Specific closures are proposed based on the interchange turbulence. Results of the 1D model are confronted to experimental evidence by analyzing the computed SOL width and comparing the results to the existing scaling law for L-mode plasmas. Introducing a dependence on the shear of large scale flows, typically the zonal flows, 1D simulations can exhibit an H-mode like transition when increasing the input power, generating an increased stored energy thanks to an interface barrier located at the separatrix. Further 2D plasma-wall interaction simulations for WEST are analyzed that show a good match with the experimental profiles, as well as a ballooned transport driving turbulent transport in the divertor SOL and nearly no transport in the private flux region. The SOL width of WEST is also recovered. These results show the remarkable capability of the κ-ε model to capture key aspects of the physics of turbulent transport throughout the plasma knowing that a unique scalar free parameter is available to tune cross field transport in the whole 2D cross section of the plasma.
S. Baschetti, H. Bufferand, G. Ciraolo, Ph Ghendrih, E. Serre, et al.. Self-consistent cross-field transport model for core and edge plasma transport. Nuclear Fusion, IOP Publishing, 2021, 61 (10), pp.106020. ⟨10.1088/1741-4326/ac1e60⟩. ⟨hal-03380310⟩
S. Di Genova, A. Gallo, N. Fedorczak, H. Yang, G. Ciraolo, et al.. Modelling of tungsten contamination and screening in WEST plasma discharges. Nuclear Fusion, IOP Publishing, 2021, 61 (10), pp.106019. ⟨10.1088/1741-4326/ac2026⟩. ⟨hal-03380329⟩ Plus de détails...
The WEST experiment is currently operating with tungsten plasma-facing components and testing ITER-like divertor monoblocks. In order to support WEST experiments interpretation, numerical analyses were carried out. Starting from WEST experimental data, realistic background plasma conditions were reproduced through SolEdge-EIRENE and used as input for ERO2.0 simulations to investigate tungsten migration. Tungsten contamination due to the different plasma-facing components was modelled under different plasma conditions, highlighting a non-negligible contribution of tungsten coming from the tokamak main chamber. Tungsten penetration factor was computed and used as an indication for tungsten screening by the background plasma at the different tokamak plasma-facing components. Simulations showed the main chamber components to be very weakly screened. Light impurities charge was showed to influence not only tungsten sputtering, but also its probability to enter the confined plasma. Simulations results indicated that even when the tungsten source is not heavily influenced by self-sputtering, contamination of the confined plasma can be strongly impacted by it in low density background plasma conditions. Finally, a one-to-one comparison between tungsten visible spectroscopy at the lower divertor from experimental data and from synthetic diagnostics was performed, showing that it is possible to reproduce a realistic lower divertor signal following experimental evidence on light impurities asymmetry between the targets.
S. Di Genova, A. Gallo, N. Fedorczak, H. Yang, G. Ciraolo, et al.. Modelling of tungsten contamination and screening in WEST plasma discharges. Nuclear Fusion, IOP Publishing, 2021, 61 (10), pp.106019. ⟨10.1088/1741-4326/ac2026⟩. ⟨hal-03380329⟩
Johan Degrigny, Shang-Gui Cai, Jean-François Boussuge, Pierre Sagaut. Improved wall model treatment for aerodynamic flows in LBM. Computers and Fluids, Elsevier, 2021, 227, pp.105041. ⟨10.1016/j.compfluid.2021.105041⟩. ⟨hal-03326170⟩ Plus de détails...
The article deals with an improved treatment of wall models for the simulation of turbulent flows in the framework of Immersed Wall Boundaries on Cartesian grids. The emphasis is put on the implementa-tion in a Lattice-Boltzmann Method solver without loss of generality, since the proposed approach can be used in Navier-Stokes-based solvers in a straightforward way. The proposed improved wall model im-plementation relies on the combination of several key elements, namely i) the removal of grid points too close to the solid surface and ii) an original computation of wall normal velocity gradient and iii) the interpolation scheme. The new method is successfully assessed considering URANS simulations focusing on steady solutions of the Zero Pressure Gradient turbulent flat plate boundary layer and the turbulent flow around a NACA0012 airfoil at several angles of attack.
Johan Degrigny, Shang-Gui Cai, Jean-François Boussuge, Pierre Sagaut. Improved wall model treatment for aerodynamic flows in LBM. Computers and Fluids, Elsevier, 2021, 227, pp.105041. ⟨10.1016/j.compfluid.2021.105041⟩. ⟨hal-03326170⟩
Oleksandr Dimitrov, Pierrette Guichardon, Isabelle Raspo, Evelyne Neau. Vapor–Liquid Equilibria of the Aqueous and Organic Mixtures Composed of Dipropylene Glycol Methyl Ether, Dipropylene Glycol n -Butyl Ether, and Propylene Glycol n -Butyl Ether. Part II: Modeling Based on the NRTL-PR Model. Industrial and engineering chemistry research, American Chemical Society, 2021, 60 (30), pp.11513-11524. ⟨10.1021/acs.iecr.1c01545⟩. ⟨hal-03379757⟩ Plus de détails...
Further to the Part I of the present paper, the second Part is concentrated around the VLE modeling of binary mixtures involving the three glycol ethers previously studied experimentally. The authors propose to use the NRTL-PR model for the representation of these non-ideal mixtures. The main difficulties of modelling related to very low vapor pressures and the way of dealing with them are highlighted. The unknown critical parameters for DPM, DPnB and PnB were determined using robust group contribution methods. However, the experimental values of these parameters have never been published before. The main goal of the authors was to obtain the most satisfactory representation of the experimental data provided in the Part I. Some issues that mostly occurred in mixtures involving the PnB as well as in mixtures having very low vapor pressures, were encountered. Nevertheless, we have obtained in general a satisfactory representation of measured points regardless of those issues.
Oleksandr Dimitrov, Pierrette Guichardon, Isabelle Raspo, Evelyne Neau. Vapor–Liquid Equilibria of the Aqueous and Organic Mixtures Composed of Dipropylene Glycol Methyl Ether, Dipropylene Glycol n -Butyl Ether, and Propylene Glycol n -Butyl Ether. Part II: Modeling Based on the NRTL-PR Model. Industrial and engineering chemistry research, American Chemical Society, 2021, 60 (30), pp.11513-11524. ⟨10.1021/acs.iecr.1c01545⟩. ⟨hal-03379757⟩
Journal: Industrial and engineering chemistry research
Sudip Das, Marc Jaeger, Marc Leonetti, Rochish M. Thaokar, Paul G. Chen. Effect of pulse width on the dynamics of a deflated vesicle in unipolar and bipolar pulsed electric fields. Physics of Fluids, American Institute of Physics, 2021, 33 (8), pp.081905. ⟨10.1063/5.0057168⟩. ⟨hal-03317441⟩ Plus de détails...
Giant unilamellar vesicles subjected to pulsed direct-current (pulsed-DC) fields are promising biomimetic systems to investigate the electroporation of cells. In strong electric fields, vesicles undergo significant deformation, which strongly alters the transmembrane potential, consequently the electroporation. Previous theoretical studies investigated the electrodeformation of vesicles in DC fields (which are not pulsed). In this work, we computationally investigate the deformation of a deflated vesicle under unipolar, bipolar, and two-step unipolar pulses and show sensitive dependence of intermediate shapes on type of pulse and the pulse width. Starting with the stress-free initial shape of a deflated vesicle, which is similar to a prolate spheroid, the analysis is presented for the cases with higher and lower conductivities of the inner fluid medium relative to the outer fluid medium. For the ratio of inner to outer fluid conductivity, σ r = 10, the shape always remains prolate, including when the field is turned off. For σ r = 0.1, several complex dynamics are observed, such as the prolate-to-oblate (PO), prolate-to-oblate-to-prolate (POP) shape transitions in time depending upon the strength of the field and the pulse properties. In this case, on turning off the field, a metastable oblate equilibrium shape is seen, that seems to be a characteristics of a deflated vesicle leading to POPO transitions. When a two-step unipolar pulse (a combination of a strong and a weak subpulse) is applied, a vesicle can reach an oblate or a prolate final shape depending upon the relative durations of the two subpulses. This study suggests that the transmembrane potential can be regulated using a bipolar pulsed-DC field. It also shows that the shapes admitted in the dynamics of a vesicle depends upon whether the pulse is unipolar or bipolar. Parameters are suggested wherein, the simulation results can be demonstrated in experiments.
Sudip Das, Marc Jaeger, Marc Leonetti, Rochish M. Thaokar, Paul G. Chen. Effect of pulse width on the dynamics of a deflated vesicle in unipolar and bipolar pulsed electric fields. Physics of Fluids, American Institute of Physics, 2021, 33 (8), pp.081905. ⟨10.1063/5.0057168⟩. ⟨hal-03317441⟩
Pierre Boivin, M. Tayyab, S. Zhao. Benchmarking a lattice-Boltzmann solver for reactive flows: Is the method worth the effort for combustion?. Physics of Fluids, American Institute of Physics, 2021, 33 (7), pp.071703. ⟨10.1063/5.0057352⟩. ⟨hal-03276189⟩ Plus de détails...
Pierre Boivin, M. Tayyab, S. Zhao. Benchmarking a lattice-Boltzmann solver for reactive flows: Is the method worth the effort for combustion?. Physics of Fluids, American Institute of Physics, 2021, 33 (7), pp.071703. ⟨10.1063/5.0057352⟩. ⟨hal-03276189⟩
Nicolas Frangieh, Gilbert Accary, Jean-Louis Rossi, Dominique Morvan, Sofiane Meradji, et al.. Fuelbreak effectiveness against wind-driven and plume-dominated fires: a 3D numerical study. Fire Safety Journal, Elsevier, 2021, pp.103383. ⟨10.1016/j.firesaf.2021.103383⟩. ⟨hal-03258935⟩ Plus de détails...
The effectiveness of a fuelbreak, created in a homogeneous grassland on a flat terrain, was studied numerically. The analysis relies on 3D numerical simulations that were performed using a detailed physical-fire-model (FIRESTAR3D) based on a multiphase formulation. To avoid border effects, calculations were carried out by imposing periodic boundary conditions along the two lateral sides of the computational domain, reproducing that way a quasi-infinitely long fire front. A total of 72 simulations were carried out for various wind speeds, fuel heights, and fuelbreak widths, which allowed to cover a large spectrum of fire behaviour, ranging from plume-dominated fires to wind-driven fires. The results were classified in three main categories: 1- “Propagation” if fire crossed the fuelbreak with a continuous fire front, 2- “Overshooting” and “Marginal” if fire marginally crosses the fuelbreak with the formation of burning pockets, and 3- “No propagation” if fire does not cross at all the fuelbreak. The ratio of fuelbreak width to fuel height, marking the “Propagation”/“No propagation” transition, was found to be scaled with Byram's convection number Nc as 75.07 × Nc−0.46. The numerical results were also compared to an operational wildfire engineering tool (DIMZAL) dedicated to fuelbreaks dimensioning.
Nicolas Frangieh, Gilbert Accary, Jean-Louis Rossi, Dominique Morvan, Sofiane Meradji, et al.. Fuelbreak effectiveness against wind-driven and plume-dominated fires: a 3D numerical study. Fire Safety Journal, Elsevier, 2021, pp.103383. ⟨10.1016/j.firesaf.2021.103383⟩. ⟨hal-03258935⟩
M Raghunathan, Y Marandet, H Bufferand, G Ciraolo, Ph Ghendrih, et al.. Generalized Collisional Fluid Theory for Multi-Component, Multi-Temperature Plasma Using The Linearized Boltzmann Collision Operator for Scrape-Off Layer/Edge Applications. Plasma Physics and Controlled Fusion, IOP Publishing, 2021, 63 (6), pp.064005. ⟨10.1088/1361-6587/abf670⟩. ⟨hal-03384547⟩ Plus de détails...
M Raghunathan, Y Marandet, H Bufferand, G Ciraolo, Ph Ghendrih, et al.. Generalized Collisional Fluid Theory for Multi-Component, Multi-Temperature Plasma Using The Linearized Boltzmann Collision Operator for Scrape-Off Layer/Edge Applications. Plasma Physics and Controlled Fusion, IOP Publishing, 2021, 63 (6), pp.064005. ⟨10.1088/1361-6587/abf670⟩. ⟨hal-03384547⟩
