Showing papers in "Computational particle mechanics in 2017"

Comparing and contrasting size-based particle segregation models

Abstract: Over the last 12 years, numerous new theoretical continuum models have been formulated to predict particle segregation in the size-based bidisperse granular flows over inclined channels. Despite their presence, to our knowledge, no attempts have been made to compare and contrast the fundamental basis upon which these continuum models have been formulated. In this paper, firstly, we aim to illustrate the difference in these models including the incompatible nomenclature which impedes direct comparison. Secondly, we utilise (i) our robust and efficient in-house particle solver MercuryDPM, and (ii) our accurate micro–macro (discrete to continuum) mapping tool called coarse-graining, to compare several proposed models. Through our investigation involving size-bidisperse mixtures, we find that (i) the proposed total partial stress fraction expressions do not match the results obtained from our simulation, and (ii) the kinetic partial stress fraction dominates over the total partial stress fraction and the contact partial stress fraction. However, the proposed theoretical total stress fraction expressions do capture the kinetic partial stress fraction profile, obtained from simulations, very well, thus possibly highlighting the reason why mixture theory segregation models work for inclined channel flows. However, further investigation is required to strengthen the basis upon which the existing mixture theory segregation models are built upon.

Performance of mixed formulations for the particle finite element method in soil mechanics problems

Abstract: This paper presents a computational framework for the numerical analysis of fluid-saturated porous media at large strains. The proposal relies, on one hand, on the particle finite element method (PFEM), known for its capability to tackle large deformations and rapid changing boundaries, and, on the other hand, on constitutive descriptions well established in current geotechnical analyses (Darcy’s law; Modified Cam Clay; Houlsby hyperelasticity). An important feature of this kind of problem is that incompressibility may arise either from undrained conditions or as a consequence of material behaviour; incompressibility may lead to volumetric locking of the low-order elements that are typically used in PFEM. In this work, two different three-field mixed formulations for the coupled hydromechanical problem are presented, in which either the effective pressure or the Jacobian are considered as nodal variables, in addition to the solid skeleton displacement and water pressure. Additionally, several mixed formulations are described for the simplified single-phase problem due to its formal similitude to the poromechanical case and its relevance in geotechnics, since it may approximate the saturated soil behaviour under undrained conditions. In order to use equal-order interpolants in displacements and scalar fields, stabilization techniques are used in the mass conservation equation of the biphasic medium and in the rest of scalar equations. Finally, all mixed formulations are assessed in some benchmark problems and their performances are compared. It is found that mixed formulations that have the Jacobian as a nodal variable perform better.

On the effect of standard PFEM remeshing on volume conservation in free-surface fluid flow problems

Abstract: The aim of this work is to analyze the remeshing procedure used in the particle finite element method (PFEM) and to investigate how this operation may affect the numerical results. The PFEM remeshing algorithm combines the Delaunay triangulation and the Alpha Shape method to guarantee a good quality of the Lagrangian mesh also in large deformation processes. However, this strategy may lead to local variations of the topology that may cause an artificial change of the global volume. The issue of volume conservation is here studied in detail. An accurate description of all the situations that may induce a volume variation during the PFEM regeneration of the mesh is provided. Moreover, the crucial role of the parameter $$\alpha $$ used in the Alpha Shape method is highlighted and a range of values of $$\alpha $$ for which the differences between the numerical results are negligible, is found. Furthermore, it is shown that the variation of volume induced by the remeshing reduces by refining the mesh. This check of convergence is of paramount importance for the reliability of the PFEM. The study is carried out for 2D free-surface fluid dynamics problems, however the conclusions can be extended to 3D and to all those problems characterized by significant variations of internal and external boundaries.

Thermomechanically coupled conduction mode laser welding simulations using smoothed particle hydrodynamics

Abstract: Process simulations of conduction mode laser welding are performed using the meshless Lagrangian smoothed particle hydrodynamics (SPH) method. The solid phase is modeled based on the governing equations in thermoelasticity. For the liquid phase, surface tension effects are taken into account to simulate the melt flow in the weld pool, including the Marangoni force caused by a temperature-dependent surface tension gradient. A non-isothermal solid–liquid phase transition with the release or absorption of additional energy known as the latent heat of fusion is considered. The major heat transfer through conduction is modeled, whereas heat convection and radiation are neglected. The energy input from the laser beam is modeled as a Gaussian heat source acting on the initial material surface. The developed model is implemented in Pasimodo. Numerical results obtained with the model are presented for laser spot welding and seam welding of aluminum and iron. The change of process parameters like welding speed and laser power, and their effects on weld dimensions are investigated. Furthermore, simulations may be useful to obtain the threshold for deep penetration welding and to assess the overall welding quality. A scalability and performance analysis of the implemented SPH algorithm in Pasimodo is run in a shared memory environment. The analysis reveals the potential of large welding simulations on multi-core machines.

An explicit Lagrangian finite element method for free-surface weakly compressible flows

Abstract: In the present work, an explicit finite element approach to the solution of the Lagrangian formulation of the Navier-Stokes equations for weakly compressible fluids or fluid-like materials is investigated. The introduction of a small amount of compressibility is shown to allow for the formulation of a fast and robust explicit solver based on a particle finite element method. Newtonian and Non-Newtonian Bingham laws are considered. A barotropic equation of state completes the model relating pressure and density fields. The approach has been validated through comparison with experimental tests and numerical simulations of free surface fluid problems involving water and water–soil mixtures.

Large-scale numerical simulations of polydisperse particle flow in a silo

Abstract: Very recently, we have examined experimentally and numerically the micro-mechanical details of monodisperse particle flows through an orifice placed at the bottom of a silo (Rubio-Largo et al. in Phys Rev Lett 114:238002, 2015). Our findings disentangled the paradoxical ideas associated to the free-fall arch concept, which has historically served to justify the dependence of the flow rate on the outlet size. In this work, we generalize those findings examining large-scale polydisperse particle flows in silos. In the range of studied apertures, both velocity and density profiles at the aperture are self-similar, and the obtained scaling functions confirm that the relevant scale of the problem is the size of the aperture. Moreover, we find that the contact stress monotonically decreases when the particles approach the exit and vanish at the outlet. The behavior of this magnitude is practically independent of the size of the orifice. However, the total and partial kinetic stress profiles suggest that the outlet size controls the propagation of the velocity fluctuations inside the silo. Examining this magnitude, we conclusively argue that indeed there is a well-defined transition region where the particle flow changes its nature. The general trend of the partial kinetic pressure profiles and the location of the transition region results the same for all particle types. We find that the partial kinetic stress is larger for bigger particles. However, the small particles carry a higher fraction of kinetic stress respect to their concentration, which suggest that the small particles have larger velocity fluctuations than the large ones and showing lower strength of correlation with the global flow. Our outcomes explain why the free-fall arch picture has served to describe the polydisperse flow rate in the discharge of silos.

Continuum modeling of rate-dependent granular flows in SPH

Abstract: We discuss a constitutive law for modeling rate-dependent granular flows that has been implemented in smoothed particle hydrodynamics (SPH). We model granular materials using a viscoplastic constitutive law that produces a Drucker–Prager-like yield condition in the limit of vanishing flow. A friction law for non-steady flows, incorporating rate-dependence and dilation, is derived and implemented within the constitutive law. We compare our SPH simulations with experimental data, demonstrating that they can capture both steady and non-steady dynamic flow behavior, notably including transient column collapse profiles. This technique may therefore be attractive for modeling the time-dependent evolution of natural and industrial flows.

Air demand estimation in bottom outlets with the particle finite element method

Abstract: Dam bottom outlets play a vital role in dam operation and safety, as they allow controlling the water surface elevation below the spillway level. For partial openings, water flows under the gate lip at high velocity and drags the air downstream of the gate, which may cause damages due to cavitation and vibration. The convenience of installing air vents in dam bottom outlets is well known by practitioners. The design of this element depends basically on the maximum air flow through the air vent, which in turn is a function of the specific geometry and the boundary conditions. The intrinsic features of this phenomenon makes it hard to analyse either on site or in full scaled experimental facilities. As a consequence, empirical formulas are frequently employed, which offer a conservative estimate of the maximum air flow. In this work, the particle finite element method was used to model the air–water interaction in Susqueda Dam bottom outlet, with different gate openings. Specific enhancements of the formulation were developed to consider air–water interaction. The results were analysed as compared to the conventional design criteria and to information gathered on site during the gate operation tests. This analysis suggests that numerical modelling with the PFEM can be helpful for the design of this kind of hydraulic works.

Plane stress problems using hysteretic rigid body spring network models

Abstract: In this work, a discrete numerical scheme is presented capable of modeling the hysteretic behavior of 2D structures. Rigid Body Spring Network (RBSN) models that were first proposed by Kawai (Nucl Eng Des 48(1):29–207, 1978) are extended to account for hysteretic elastoplastic behavior. Discretization is based on Voronoi tessellation, as proposed specifically for RBSN models to ensure uniformity. As a result, the structure is discretized into convex polygons that form the discrete rigid bodies of the model. These are connected with three zero length, i.e., single-node springs in the middle of their common facets. The springs follow the smooth hysteretic Bouc–Wen model which efficiently incorporates classical plasticity with no direct reference to a yield surface. Numerical results for both static and dynamic loadings are presented, which validate the proposed simplified spring-mass formulation. In addition, they verify the model’s applicability on determining primarily the displacement field and plastic zones compared to the standard elastoplastic finite element method.

An assessment of the potential of PFEM-2 for solving long real-time industrial applications

Abstract: The latest generation of the particle finite element method (PFEM-2) is a numerical method based on the Lagrangian formulation of the equations, which presents advantages in terms of robustness and efficiency over classical Eulerian methodologies when certain kind of flows are simulated, especially those where convection plays an important role. These situations are often encountered in real engineering problems, where very complex geometries and operating conditions require very large and long computations. The advantages that the parallelism introduced in the computational fluid dynamics making affordable computations with very fine spatial discretizations are well known. However, it is not possible to have the time parallelized, despite the effort that is being dedicated to use space–time formulations. In this sense, PFEM-2 adds a valuable feature in that its strong stability with little loss of accuracy provides an interesting way of satisfying the real-life computation needs. After having already demonstrated in previous publications its ability to achieve academic-based solutions with a good compromise between accuracy and efficiency, in this work, the method is revisited and employed to solve several nonacademic problems of technological interest, which fall into that category. Simulations concerning oil–water separation, waste-water treatment, metallurgical foundries, and safety assessment are presented. These cases are selected due to their particular requirements of long simulation times and or intensive interface treatment. Thus, large time-steps may be employed with PFEM-2 without compromising the accuracy and robustness of the simulation, as occurs with Eulerian alternatives, showing the potentiality of the methodology for solving not only academic tests but also real engineering problems.

Particle-based simulations of bilayer membranes: self-assembly, structural analysis, and shock-wave damage

Abstract: We report on the results of particle-based, coarse-grained molecular dynamics simulations of amphiphilic lipid molecules in aqueous environment where the membrane structures at equilibrium are subsequently exposed to strong shock waves, and their damage is analyzed. The lipid molecules self-assemble from unbiased random initial configurations to form stable bilayer membranes, including closed vesicles. During self-assembly of lipid molecules, we observe several stages of clustering, starting with many small clusters of lipids, gradually merging together to finally form one single bilayer membrane. We find that the clustering of lipids sensitively depends on the hydrophobic interaction $$h_\mathrm{c}$$ of the lipid tails in our model and on temperature T of the system. The self-assembled bilayer membranes are quantitatively analyzed at equilibrium with respect to their degree of order and their local structure. We also show that—by analyzing the membrane fluctuations and using a linearized theory— we obtain area compression moduli $$K_\mathrm{A}$$ and bending stiffnesses $$\kappa _\mathrm{B}$$ for our bilayer membranes which are within the experimental range of in vivo and in vitro measurements of biological membranes. We also discuss the density profile and the pair correlation function of our model membranes at equilibrium which has not been done in previous studies of particle-based membrane models. Furthermore, we present a detailed phase diagram of our lipid model that exhibits a sol–gel transition between quasi-solid and fluid domains, and domains where no self-assembly of lipids occurs. In addition, we present in the phase diagram the conditions for temperature T and hydrophobicity $$h_\mathrm{c}$$ of the lipid tails of our model to form closed vesicles. The stable bilayer membranes obtained at equilibrium are then subjected to strong shock waves in a shock tube setup, and we investigate the damage in the membranes due to their interaction with shock waves. Here, we find a transition from self-repairing membranes (reducing their damage after impact) and permanent (irreversible) damage, depending on the shock front speed. The here presented idea of using coarse-grained (CG) particle models for soft matter systems in combination with the investigation of shock-wave effects in these systems is a quite new approach.

The effect of microscopic friction and size distributions on conditional probability distributions in soft particle packings

Abstract: Employing two-dimensional molecular dynamics (MD) simulations of soft particles, we study their non-affine responses to quasi-static isotropic compression where the effects of microscopic friction between the particles in contact and particle size distributions are examined. To quantify complicated restructuring of force-chain networks under isotropic compression, we introduce the conditional probability distributions (CPDs) of particle overlaps such that a master equation for distribution of overlaps in the soft particle packings can be constructed. From our MD simulations, we observe that the CPDs are well described by q-Gaussian distributions, where we find that the correlation for the evolution of particle overlaps is suppressed by microscopic friction, while it significantly increases with the increase of poly-dispersity.

Modeling plasticity by non-continuous deformation

Abstract: Plasticity and failure theories are still subjects of intense research. Engineering constitutive models on the macroscale which are based on micro characteristics are very much in need. This study is motivated by the observation that continuum assumptions in plasticity in which neighbour material elements are inseparable at all-time are physically impossible, since local detachments, slips and neighbour switching must operate, i.e. non-continuous deformation. Material microstructure is modelled herein by a set of point elements (particles) interacting with their neighbours. Each particle can detach from and/or attach with its neighbours during deformation. Simulations on two- dimensional configurations subjected to uniaxial compression cycle are conducted. Stochastic heterogeneity is controlled by a single “disorder” parameter. It was found that (a) macro response resembles typical elasto–plastic behaviour; (b) plastic energy is proportional to the number of detachments; (c) residual plastic strain is proportional to the number of attachments, and (d) volume is preserved, which is consistent with macro plastic deformation. Rigid body displacements of local groups of elements are also observed. Higher disorder decreases the macro elastic moduli and increases plastic energy. Evolution of anisotropic effects is obtained with no additional parameters.