Lattice Boltzmann Technique Research Articles

On the noise reduction of a porous trailing edge applied to an airfoil at lifting condition

Numerical simulations, using a lattice-Boltzmann technique, have been carried out to study the effect of aerodynamic loading and Reynolds number on the aeroacoustics of a porous trailing-edge insert. The airfoil is a National Advisory Committee for Aeronautics 0018 with the last 20% of its chord being replaceable with porous insert based on a Ni-Cr-Al metal foam with a mean pore diameter of 0.8 mm. The porous insert is modeled as an equivalent fluid region governed by the Darcy's law. The angle-of-attack is set to 7.8°, and the freestream Reynolds numbers based on the airfoil chord are 2.7 × 105 and 5.4 × 105. The amount of noise reduction produced by the porous insert generally decreases as the angle-of-attack or Reynolds number is increased, although the far-field noise directivity remains similar to that of the solid insert case. Unlike for a solid insert, in which noise sources are concentrated at the trailing edge, those on the porous insert are distributed across the porous medium surface, and they promote phase interference effect that causes noise attenuation. This mechanism is realized by the pressure release process, which refers to the interaction between surface pressure fluctuations on both sides of the trailing edge through the porous medium. It is found that the pressure release process is strongly present at the last 25% of the porous insert extent, and thus the upstream segment plays a relatively limited role in noise attenuation. The porous insert also causes velocity deficit, enhanced Reynolds shear stress, and lower convection velocity in the turbulent boundary layer. Nevertheless, since only the flow field surrounding the porous insert is affected, the overall aerodynamic penalty is relatively minor. It has also been found that the effect of mean cross-flow inside the porous medium is almost negligible in the present investigation due to the small surface pressure difference between the two sides of the porous insert.

A numerical study of the entropy generation and heat transfer rate of airflow around a NACA 0015 airfoil subjected to an external magnetic field

In the present study, the thermal Lattice Boltzmann Technique is combined with the Ghost Fluid method to simulate the flow and heat transfer rate around a NACA 0015 airfoil in the presence of an external magnetic field source. It is tried to investigate the mutual effects of the Hartmann and Reynolds numbers as well as the magnetic field angle and the attack angle of the airfoil on the flow and heat transfer characteristics. Besides, the total entropy generation rate of the system was studied through its main components, i.e. entropy generation rate due to friction, heat transfer, and Magneto Hydrodynamics. Therefore, the tests were carried out for various Re and Ha numbers, plus different magnetic field angles and airfoil attack angles, and their influence on the active parameters which are Cd, Cl, and Nu, along with the entropy generation rate of the system, were recorded. The results revealed that with an increment of the Re number the Cd and Cl graphs drop, but the Nu value raises. Also, the total entropy generation rate of the system is at its maximum around γ = 60.

Lattice Boltzmann Simulation of Ferrofluids Film Boiling

In the present investigation, two phase film boiling of ferrofluids under an external field delivered around a two-dimensional square cross-section heater was investigated using the lattice Boltzmann technique. The purpose of this work is to find the effect of magnetic field magnitude and direction on the Nusselt number in single and double heater geometry. The improving thermal efficiency in the horizontal and vertical placement of heaters is also presented. The governing equations of mass conservation, momentum conservation, and energy conservation are solved by using a central-moments-based Lattice Boltzmann scheme. The air pocket generated around heater raised incorporating magnetic effects. The heat transfer through this advancement has been explored quantitatively and abstractly. The results shows that with the development in the volumetric applied force at the bubble-fluid interface, the bubble boundary layer thickness around the square heater lessened which cause the Nusselt number augmented. Through the parameter study it found that the Nusselt number can be essentially extended by altering the course of magnet shafts, and that film rising outwardly of the bubble. The improvement and advancement of vapour phase in various heater arrangement made two column of bubble rises at the same time, which rose above each heater and in the end changed into one column of bubble. A correlation considering magnitude and angle of the magnetic field on time-averaged Nusselt number is presented. Finally, the Nusselt number can be controlled with the help of the incorporation of other heaters.

Implementation of dynamic coupling in hybrid Molecular Dynamics–Lattice Boltzmann approach: Modeling aggregation of amphiphiles

Amphiphile-based aggregates are extensively used in numerous applications for encapsulation, storage, transport and delivery of toxic, active molecules due to the structural properties of the aggregates. The properties of the aggregates in turn are dictated by the molecular architecture of the amphiphiles. A complete understanding of the multiscale architecture–structure–function relationship for amphiphile-based aggregates requires the simultaneous resolution of the self-assembly of amphiphilic molecules along with an understanding of the role of various long range physical interactions including hydrodynamics. A multiscale computational approach such as the hybrid Molecular Dynamics–Lattice Boltzmann technique is able to fulfill most of those requirements. However, existing implementations only account for static coupling between the Molecular Dynamics technique and the Lattice Boltzmann method, and hence are unable to resolve the changes in the solvent-amphiphile interface during processes such as self-assembly and interfacial adsorption. In this study, a new implementation incorporating a dynamic coupling scheme between the Molecular Dynamics technique and the Lattice Boltzmann method is introduced so as to resolve dynamical changes in interfaces. The application of the new implementation to the self-assembly of phospholipids yields results which are in good agreement with computation, experiments and theory. In particular, we found the scaling exponent α of the cluster number (N(t) = C tα) to be ∼1. Program summaryProgram Title: fix_lb_fluid_dynamic_coupling.cpp, fix_lb_fluid_dynamic_coupling.hProgram Files doi:http://dx.doi.org/10.17632/wr4mgv35j5.1Licensing provisions: GNU General Public License 3Programming language: C++Journal Reference of previous version: Mackay, F. E., Ollila, S. T., & Denniston, C. (2013). Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid. Computer Physics Communications, 184(8), 2021-2031.Does the new version supersede the previous version? No.Reasons for new version: Enable dynamic coupling between Molecular Dynamics and Lattice Boltzmann.Summary of revisions: Determination of whether the number of neighbors for each Molecular Dynamics bead is above a predetermined threshold set by the user. If the number of neighbors is above the threshold, the Molecular Dynamics bead is decoupled from the Lattice Boltzmann grid.Nature of problem: Determination of the criteria and method for decoupling Molecular Dynamics beads from the Lattice Boltzmann grid.Solution method: The number of neighbors for each Molecular Dynamics bead which lie within the interaction potential cutoff distance is determined. If the number of neighbors is above a critical threshold, the reference Molecular Dynamics bead is decoupled from the Lattice Boltzmann grid.

Numerical examination for nanomaterial forced convection within a permeable cavity involving magnetic forces

In current research, Lattice Boltzmann technique was hired to analyze MHD nanomaterial treatment within a permeable geometry. Brownian movement effect is included in relation of nanofluid. Importance of nanoliquid volume fraction ϕ, Hartmann parameter Ha, Reynolds parameter Re and Darcy parameter Da are illustrated. Outputs depict that isotherms accumulate next to upper surface with the rise of Da and Re. Thermal plume becomes weaker with the rise of Ha. To better describing the role of variables, new formula was derived and related profiles were drawn.

Influence of permeable circular body and [formula omitted] nanofluid on buoyancy-driven flow and entropy generation

A numerical analysis has been performed to demonstrate the impression of an isothermal circular permeable body on free-convection and thermo-dynamic irreversibilities in a square cavity by employing lattice Boltzmann technique. CuO-water nanofluid is considered as a working fluid, and the dynamic values of effective properties are evaluated by Koo-Kleinstreuer-Li (KKL) model. Primary aim of the present work is to evaluate the effects of Darcy number (Da), Rayleigh number (Ra), and nanofluid volume fraction (Φ) on flow and heat transfer characteristics in and around the permeable zone. Also, variation of entropy generation and mean Bejan number (BeM), thermal-mixing and its uniformity are analysed. The ranges of Da, and Ra considered in this analysis are, 10−6 ≤ Da ≤ 10−2, and 103 ≤ Ra ≤ 106, respectively, for the nanofluid volume fraction values of 0%-4%. It has been observed that the momentum of the fluid in the enclosure intensifies while increasing Da and nanofluid volume fraction. Also, the flow variation produced by different values of nanofluid volume fraction significantly modifies the thermal traits. Further, the location of maximum entropy generation depends on the permeability of the cylinder. It is found that the volume fraction of nanofluid governs the dominance of thermal and/or fluid-friction irreversibility. Permeability enrichment increases the thermal-mixing and reduces the temperature uniformity.

Natural convection heat transfer of nanofluid inside a cavity containing rough elements using lattice Boltzmann method

PurposeThis paper aims to study the natural convection of a nanofluid inside a cavity which contains obstacles using lattice Boltzmann method (LBM). The results have focused mainly on various parameters such as number and aspect ratio of roughness elements and different nanoparticle volume fraction. The isotherms and streamlines are presented to describe the hydrodynamics and thermal behaviors of the nanofluid flow throughout the enclosure.Design/methodology/approachThe methodology of this paper consists of mathematical model, statement of the problem, nanofluid thermophysical properties, lattice Boltzmann method, LBM for fluid flow, LBM for heat transfer, numerical strategy, boundary conditions, Nusselt (Nu) number calculation, code validation and grid independence.FindingsNatural convection heat transfers of a nanofluid inside cavities with and without rough elements have been studied. Lattice Boltzmann technique has been used as numerical approach. The results showed that at higher Rayleigh number (Ra = 106), there are denser streamlines near the left (source) and right wall (sink) which results in better cooling and enhances convective heat rejection to the heat sink. After a distinctive aspect ratio of rough elements (A = 0.1), change in streamline pattern which arises from increasing of aspect ratio does not have an important effect on isotherms. Results indicate that for lower Rayleigh number (Ra = 103), no variation in average Nu is observed with increasing in number of roughness, while for higher one (Ra = 106) average Nu decreases from N = 0 (smooth cavity) up to N = 4 and then remains constant (N = 6).Originality/valueCurrently, no argumentative and comprehensive extraction can be concluded without fully understanding the role of different arrangement of roughness. Some geometrical parameters such as aspect ratio, number and position of rough elements have been considered. Also, the effect of nanoparticle concentration was studied at different Ra number. Briefly, using LBM, this paper aims to investigate the natural convection of a nanofluid flow on the thermal and hydrodynamics parameters in the presence of rough element with various arrangements.

Mesoscale biosimulations within a unified framework: from proteins to plasmids

ABSTRACT The simulation of large biomolecules and biological assemblies requires to achieve an optimal balance between physical realism and computational efficiency. We describe how an effective strategy is based on a dual representation, whereby macromolecules are described by means of a coarse grained, particle-based representation, while aqueous solvent and electrolytes are represented by a mesoscopic, kinetic treatment. The joint usage of the Molecular Dynamics and Lattice Boltzmann techniques provides an optimal combination for these representations and allows simulating from proteins to polynucleotides under a wide range of equilibrium and off-equilibrium conditions.

Axisymmetric lattice Boltzmann simulation of the heat-exchanger method-based sapphire crystal growth

The crystal-growth process in a heat-exchanger method (HEM)-based system was simulated using the lattice Boltzmann technique. The two-dimensional enthalpy-based lattice Boltzmann model was extended to treat the axisymmetric solid-liquid phase change problems. The proposed model demonstrates high accuracy over a large range of Biot and Stefan numbers and exhibits superiority over the first-order perturbation method, especially, in cases involving large Stefan numbers. Macroscopic crystal-growth simulations primarily focus on flow patterns in the melt and heat-transfer processes inside the crucible. Effects of dimensionless convective boundaries and Rayleigh numbers (Ra) on transport phenomena and the crystal/melt interface have also been discussed. It was observed that a decrease in the superheating temperature causes an increase in crystal fraction and decline in convection intensity. The area of the cooling zone mainly influences crystal growth rate during the initial stages of the process. In the later stages, however, the Biot number corresponding to the heating boundary assumes a more significant role. At low Rayleigh numbers, heat transfer via conduction is dominant in the melt. With increase in Ra values, melt convection tends to strengthen, thereby tending to deform the isothermal lines and phase interface.

Quantification of leaching kinetics in OPC mortars via a mesoscale model

The problem of calcium leaching kinetics of ordinary Portland cement based mortars is revisited via a mesoscale approach. Based on state-of-the-art lattice-Boltzmann technique, a comprehensive suite of leaching analysis is undertaken to address a number of open questions such as (i) the competing effects of interface transition zone (ITZ) and aggregates, (ii) relative leaching rates of calcium between ITZ and mortar cement paste, and (iii) the influence of different water to cement ratios, volume fraction of aggregates and hence of ITZ on leaching kinetics. The mesoscale model is not only able to correctly reproduce experimentally observed trends but also confirm the commonly accepted hypothesis that ITZ and aggregates counter-balance their effect leading to similar portlandite leaching rates in cement paste and mortars. The model also confirms the applicability of simple scaling approach for upscaling leaching kinetics from pure cement paste to mortar scale under the condition that ITZ is fully percolated.

Suspension flow through an asymmetric T-junction

The flow of a suspension through a bifurcating channel is studied experimentally and by computational methods. The geometry considered is an ‘asymmetric T’, as flow in the entering branch divides to either continue straight or to make a right angle turn. All branches are of the same square cross-section of side length $D$, with inlet and outlet section lengths $L$ yielding $L/D=58$ in the experiments. The suspensions are composed of neutrally buoyant spherical particles in a Newtonian liquid, with mean particle diameters of $d=250~\unicode[STIX]{x03BC}\text{m}$ and $480~\unicode[STIX]{x03BC}\text{m}$ resulting in $d/D\approx 0.1$ to $d/D\approx 0.2$ for $D=2.4~\text{mm}$. The flow rate ratio $\unicode[STIX]{x1D6FD}=Q_{\Vert }/Q_{0}$, defined for the bulk, fluid and particles, is used to characterize the flow behaviour; here $Q_{\Vert }$ and $Q_{0}$ are volumetric flow rates in the straight outlet branch and inlet branch, respectively. The channel Reynolds number $Re=(\unicode[STIX]{x1D70C}DU)/\unicode[STIX]{x1D702}$ was varied over $0<Re<900$, with $\unicode[STIX]{x1D70C}$ and $\unicode[STIX]{x1D702}$ the fluid density and viscosity, respectively, and $U$ the mean velocity in the inlet channel; the inlet particle volume fraction was $0.05\leqslant \unicode[STIX]{x1D719}_{0}\leqslant 0.30$. Experimental and numerical results for single-phase Newtonian fluid both show $\unicode[STIX]{x1D6FD}$ increasing with $Re$, implying more material tending toward the straight branch as the inertia of the flow increases. In suspension flow at small $\unicode[STIX]{x1D719}_{0}$, inertial migration of particles in the inlet branch affects the flow rate ratio for particles ($\unicode[STIX]{x1D6FD}_{\mathit{particle}}$) and suspension ($\unicode[STIX]{x1D6FD}_{\mathit{suspension}}$). The flow split for the bulk suspension satisfies $\unicode[STIX]{x1D6FD}>0.5$ for $\unicode[STIX]{x1D719}_{0}<0.16$ while $\unicode[STIX]{x1D719}_{0}=0.16$ crosses from $\unicode[STIX]{x1D6FD}\approx 0.5$ to $\unicode[STIX]{x1D6FD}>0.5$ at $Re\approx 100$. For $\unicode[STIX]{x1D719}_{0}\geqslant 0.2$, $\unicode[STIX]{x1D6FD}<0.5$ at all $Re$ studied. A complex dependence of the mean solid fraction in the downstream branches upon inlet fraction $\unicode[STIX]{x1D719}_{0}$ and $Re$ is observed: for $\unicode[STIX]{x1D719}_{0}<0.1$, the solid fraction in the straight downstream branch initially decreases with $Re$, before increasing to surpass the inlet fraction at large $Re$ ($Re\approx 500$ for $\unicode[STIX]{x1D719}_{0}=0.05$). At $\unicode[STIX]{x1D719}_{0}>0.1$, the solid fraction in the straight branch satisfies $\unicode[STIX]{x1D719}_{\Vert }/\unicode[STIX]{x1D719}_{0}>1$, and this ratio grows with $Re$. Discrete-particle simulations employing immersed boundary and lattice-Boltzmann techniques are used to analyse these phenomena, allowing rationalization of aspects of this complex behaviour as being due to particle migration in the inlet branch.

Novel hybrid lattice Boltzmann technique with TVD characteristics for simulation of heat transfer and entropy generations of MHD and natural convection in a cavity

ABSTRACTIn the present study, a novel FD_LBM hybrid numerical method with total variation diminishing (TVD) characteristics is proposed to solve the famous problems of MagnetoHydroDynamics (MHD) and natural convection in a closed cavity. Here, the momentum and energy equations are carried out via lattice Boltzmann method (LBM) and FD techniques, respectively. To enhance the stability and performance of the finite difference scheme for higher Ra numbers, two renowned Superbee and Minmod flux limiter functions were used. The results for heat transfer and entropy generation features for a wide range of Rayleigh and Hartman numbers of and are presented. In addition for comparison purposes, two multiple relaxation time (MRT) and single relaxation time (SRT) algorithms presented in the open literature, were applied in the same case definitions. Not only the tests revealed an excellent agreement between the TVD method results and the published data, but they also proved that this new technique is numerically much more efficient and stable than the SRT and MRT methods, and hence one can assume the present method as a fantastic tool in the numerical solution of laminar convection problems.

Mixed convective heat transfer from a permeable square cylinder: A lattice Boltzmann analysis

The flow and mixed convection heat transfer from a two-dimensional porous square cylinder under the influence of aiding buoyancy in an infinite stream are analysed employing a mesoscopic approach. Reynolds number (Re) and Darcy number (Da) considered in this study vary from 2 to 40 and 10-6 to 10-2, respectively. The flow and heat transfer characteristics at the Prandtl number value of 0.71 (air) is compared for three different values of Richardson number (Ri) i.e. 0, 0.5 and 1. The numerical experiments in this study are carried out by using Lattice Boltzmann technique with two distribution functions. The BGK collision operator with Darcy-Forchheimer and Boussinesq force terms are added to the LB collision equation. Mach number annealing process is also carried out to accelerate the simulations. Flow and heat transfer characteristics are found to be a function of non-dimensional permeability (Da), buoyancy condition and Reynolds number. It is observed that a monotonous reduction occurs in the wake length and drag coefficient values at higher permeability levels. Whereas, aiding buoyancy depicts a pronounced reduction in wake length and an increment in drag coefficient values. The heat transfer enhancement ratio for all surfaces of the cylinder and mean Nusselt number were calculated to compare the thermal behaviour at various Ri and Da values. A significant augmentation in heat dissipation is reported for increasing values of Ri and/or Da. The percentage increment in mean Nusselt number at Re=40, Da=10-2 is found to be 18% and 34% for Ri=0.5 and 1, respectively with reference to the forced convection case. Also, heat transfer is maximum at Da=10-2 and Ri=1 for the flow regime considered in this study. Correlations for mean Nusselt number, valid for the range of parameters considered in the present study, are also provided. The key results obtained from this study can be helpful for further research in different realms of engineering sciences, especially thermal engineering, aided by porous media modeling approach.

Computational investigation of heat transfer and entropy generation rates of Al2O3 nanofluid with Buongiorno's model and using a novel TVD hybrid LB method

The present paper deals with the Buongiorno's model for nanofluids with a novel TVD11Total Variation Diminishing. Hybrid Lattice Boltzmann technique. It is well known that when the diffusion fluxes (with Dissipation behaviors) own negligible values regarding convective fluxes, almost all classical methods suffer serious instability errors. The Lattice Boltzmann method also is not an exception to this rule. In order to resolve this issue, many novel techniques and methods (e. g. MRT-LBM) are developed. Here we propose a novel TVD Hybrid LB method to solve Buongiorno's model for Al2O3-Water nanofluid in the presence of an elliptic cold obstacle. The Model naturally possesses small values of diffusion coefficients and thereby, explicit methods are not considered as primitive choices to be applied in the simulation of this model. But the TVD characteristics of the following Hybrid LB method made it a valuable asset in resolving these kinds of problems. Moreover, the heat transfer and entropy generation of a square cavity with sinusoidal temperature and concentration boundary conditions were numerically examined and different aspect ratio combinations, as well as different obstacle locations, were tested. The results indicated that for a moderate Ra number like Ra=105, total entropy generation of the system and the heat transfer rate from the walls are reduced with an increment in the obstacle size. In addition, it was found that site 4 presents the highest rate of entropy generation amongst all, yet still, the average Be number is not remarkably raised for this location.

Three-dimensional numerical simulation of rising bubbles in the presence of cylindrical obstacles, using lattice Boltzmann method

A typical process in many industrial applications is rising bubble dynamic in viscous liquids like two-phase reactors. Examining the physical behavior of bubbles may improve the understanding of systems regarding design and operation. This study focused on the splitting of bubbles resulting from their impact on solid obstacles. Fragmentation of the bubbles appears in many applications such as lab on a chip in small scale or slug bubbly flow moving upward in a tube in large scales. Using a new index-function model in Lattice Boltzmann technique proposed by “He”, we simulated the deformation and motion of a bubble in different regimes, through which, we accurately captured a sharp interface between the two phases. We extended the aforementioned technique from 2D to 3D modelling of buoyancy-driven motion of a single bubble in quiescent viscous liquid. It was demonstrated that there is a reasonable agreement in terms of terminal rising velocity as well as bubble shape. This was found by comparing it with other available experimental and numerical results in different regimes through varying the two non-dimensional numbers (Eotvos and Morton) to characterize the fluid regime behind the rising bubble. In addition, by applying Bounce-Back no slip boundary condition to the surface area of the tubes with circular cross sections, we simulated the impact of the bubble during its upward motion. Changing the distance between the tubes and their corresponding diameters causes different shapes in the bubbles. Our simulation demonstrated that the 3D model based on index-function model of LBM is a suitable tool for 3D numerical simulation of rising bubbles in the presence of obstacles.

Finite Difference-Based Cellular Automaton Technique for Structural and Fluid–Structure Interaction Applications

A new cellular automaton technique was developed based on the finite difference scheme to analyze structures such as beams and plates as well as the acoustic wave equation. The technique uses rules for a cell, and the rules are applied to all the cells repeatedly. The technique is very easy to write a computer code and computationally efficient. Like the standard cellular automaton, many different boundary conditions can be applied easily to the new technique. The technique was applied to both structural and fluid–structure interaction problems. The fluid domain was modeled as either the acoustic medium without flow using the newly developed cellular automaton rules or the fluid flow medium using the lattice Boltzmann technique. Multiple example problems were presented to demonstrate the new technique. Those included dynamic analyses of beams and plates, acoustic wave problems, and coupled fluid–structure interaction problems.

Lattice Boltzmann technique for heat transport phenomena coupled with melting process

In this work, the heat transport phenomena coupled with melting process are studied by using the enthalpy-based lattice Boltzmann method (LBM). The proposed model is a modified version of thermal LB model, where could avoid iteration steps and ensures high accuracy. The Bhatnagar–Gross–Krook (BGK) approximation with a D1Q2 lattice was used to determine the temperature field for one-dimensional melting by conduction and multi-distribution functions (MDF) with D2Q9 lattice was used to determine the density, velocity and temperature fields for two-dimensional melting by natural convection. Different boundary conditions including Dirichlet, adiabatic and bounce-back boundary conditions were used. The influence of increasing Rayleigh number (from 103 to 105) on temperature distribution and melting process is studied. The obtained results show that a good agreement with the analytical solution for melting by conduction case and with the benchmark solution for melting by convection.

Lattice-Boltzmann hydrodynamics of anisotropic active matter.

A plethora of active matter models exist that describe the behavior of self-propelled particles (or swimmers), both with and without hydrodynamics. However, there are few studies that consider shape-anisotropic swimmers and include hydrodynamic interactions. Here, we introduce a simple method to simulate self-propelled colloids interacting hydrodynamically in a viscous medium using the lattice-Boltzmann technique. Our model is based on raspberry-type viscous coupling and a force/counter-force formalism, which ensures that the system is force free. We consider several anisotropic shapes and characterize their hydrodynamic multipolar flow field. We demonstrate that shape-anisotropy can lead to the presence of a strong quadrupole and octupole moments, in addition to the principle dipole moment. The ability to simulate and characterize these higher-order moments will prove crucial for understanding the behavior of model swimmers in confining geometries.

Hydrodynamic Effects on Amyloid-β Aggregation

The self-assembly of misfolded amyloid-β (Aβ) proteins into insoluble fibrils is strongly linked to the pathogenesis of Alzheimer's disease (AD). The development of new drugs capable to inhibit fibril formation requires the understanding of the mechanism leading to the formation, in the early stages, of metastable oligomers which are the main neurotoxic species.Our investigation enlighten the role of hydrodynamic interactions (HI) in the kinetics of β-amyloidogenesis, interactions which are essential for modelling such processes occurring in highly crowed environments like cells [1].Our approach is based on a new multi-scale and multi-physics method that couples Lattice Boltzmann and Molecular Dynamics (LBMD) techniques[2,3]. In our scheme solvent mediated interactions are included naturally. For the molecular system we adopt the high resolution coarse-grained model OPEP (Optimized Potential for Efficient Protein structure prediction)[4], developed in our laboratory. For the first time, we have performed quasi all-atoms simulations for very large systems containing thousands of amyloid peptides and approaching experimental concentration. After the correct tuning of the key parameter of our coupling in order to obtain the experimental diffusivity of Aβ monomer and small oligomers, we have demonstrated that HI speed up the aggregation process. In our poster we will present a detailed characterisation of the fluctuating clusters in term of their size and the structural organisation of the peptides.

The solution of the Helmholtz equation using lattice-Boltzmann technique

The solution of the Helmholtz equation using lattice-Boltzmann technique