Graphical processing unit (GPU) acceleration for numerical solution of population balance models using high resolution finite volume algorithm

© 2016 Elsevier LtdPopulation balance modeling is a widely used approach to describe crystallization processes. It can be extended to multivariate cases where more internal coordinates i.e., particle properties such as multiple characteristic sizes, composition, purity, etc. can be used. The current study presents highly efficient fully discretized parallel implementation of the high resolution finite volume technique implemented on graphical processing units (GPUs) for the solution of single- and multi-dimensional population balance models (PBMs). The proposed GPU-PBM is implemented using CUDA C++ code for GPU calculations and provides a generic Matlab interface for easy application for scientific computing. The case studies demonstrate that the code running on the GPU is between 2–40 times faster than the compiled C++ code and 50–250 times faster than the standard MatLab implementation. This significant improvement in computational time enables the application of model-based control approaches in real time even in case of multidimensional population balance models

Spectral-element simulations of long-term fault slip: Effect of low-rigidity layers on earthquake-cycle dynamics

We develop a spectral element method for the simulation of long-term histories of spontaneous seismic and aseismic slip on faults subjected to tectonic loading. Our approach reproduces all stages of earthquake cycles: nucleation and propagation of earthquake rupture, postseismic slip and interseismic creep. We apply the developed methodology to study the effects of low-rigidity layers on the dynamics of the earthquake cycle in 2-D. We consider two cases: small (M ~ 1) earthquakes on a fault surrounded by a damaged fault zone and large (M ~ 7) earthquakes on a vertical strike-slip fault that cuts through shallow low-rigidity layers. Our results indicate how the source properties of repeating earthquakes are affected by the presence of a damaged fault zone with low rigidity. Compared to faults in homogeneous media, we find (1) reduction in the earthquake nucleation size, (2) amplification of slip rates during dynamic rupture propagation, (3) larger recurrence interval, and (4) smaller amount of aseismic slip. Based on linear stability analysis, we derive a theoretical estimate of the nucleation size as a function of the width and rigidity reduction of the fault zone layer, which is in good agreement with simulated nucleation sizes. We further examine the effects of vertically-stratified layers (e.g., sedimentary basins) on the nature of shallow coseismic slip deficit. Our results suggest that low-rigidity shallow layers alone do not lead to coseismic slip deficit. While the low-rigidity layers result in lower interseismic stress accumulation, they also cause dynamic amplification of slip rates, with the net effect on slip being nearly zero

Fully-Coupled Simulation of Cosmic Reionization. I: Numerical Methods and Tests

We describe an extension of the Enzo code to enable fully-coupled radiation hydrodynamical simulation of inhomogeneous reionization in large $\sim (100 Mpc)^3$ cosmological volumes with thousands to millions of point sources. We solve all dynamical, radiative transfer, thermal, and ionization processes self-consistently on the same mesh, as opposed to a postprocessing approach which coarse-grains the radiative transfer. We do, however, employ a simple subgrid model for star formation which we calibrate to observations. Radiation transport is done in the grey flux-limited diffusion (FLD) approximation, which is solved by implicit time integration split off from the gas energy and ionization equations, which are solved separately. This results in a faster and more robust scheme for cosmological applications compared to the earlier method. The FLD equation is solved using the hypre optimally scalable geometric multigrid solver from LLNL. By treating the ionizing radiation as a grid field as opposed to rays, our method is scalable with respect to the number of ionizing sources, limited only by the parallel scaling properties of the radiation solver. We test the speed and accuracy of our approach on a number of standard verification and validation tests. We show by direct comparison with Enzo's adaptive ray tracing method Moray that the well-known inability of FLD to cast a shadow behind opaque clouds has a minor effect on the evolution of ionized volume and mass fractions in a reionization simulation validation test. We illustrate an application of our method to the problem of inhomogeneous reionization in a 80 Mpc comoving box resolved with $3200^3$ Eulerian grid cells and dark matter particles.Comment: 32 pages, 23 figures. ApJ Supp accepted. New title and substantial revisions re. v

Numerical calculation of the moments of the population balance equation

AbstractThe combined CFD–PBM (population balance models) are computationally intensive, so a possibility is to calculate only a few moments of the probability density function (PDF) of the PBM minimizing the computational costs. However, this formulation results in an excess of unknowns with respect to equations which is referred to as a closure problem. One approach for dealing with this closure problem is to apply a numerical quadrature approximation. On the other hand, a different possibility is to compute the PDF and from this, the moments of interest if required.In this work, the two mentioned approaches are discussed and numerical experiments are used to show the capability of the methods for predicting the moments of the PBE. In particular, the quadrature method of moments and a time–space least squares spectral method will be discussed

An Implicit Finite-Volume Depth-Integrated Model For Coastal Hydrodynamics And Multiple-Sized Sediment Transport

A two-dimensional depth-integrated model is developed for simulating wave-averaged hydrodynamics and nonuniform sediment transport and morphology change in coastal waters. The hydrodynamic model includes advection, wave-enhanced turbulent mixing and bottom friction; wave-induced volume flux; wind, atmospheric pressure, wave, river, and tidal forcing; and Coriolis-Stokes force. The sediment transport model simulates nonequilibrium total-load transport, and includes flow and sediment transport lags, hiding and exposure, bed material sorting, bed slope effects, nonerodible beds, and avalanching. The flow model is coupled with an existing spectral wave model and a newly developed surface roller model. The hydrodynamic and sediment transport models use finite-volume methods on a variety of computational grids including nonuniform Cartesian, telescoping Cartesian, quadrilateral, triangular, and hybrid triangular/quadrilateral. Grid cells are numbered in an unstructured one-dimensional array, so that all grid types are implemented under the same framework. The model uses a second-order fully implicit temporal scheme and first- and second-order spatial discretizations including corrections for grid non-orthogonality. The hydrodynamic equations are solved using an iterative pressure-velocity coupling algorithm on a collocated grid with a momentum interpolation for inter-cell fluxes. The multiple-sized sediment transport, bed change, and bed material sorting equations are solved in a coupled manner but are decoupled from the hydrodynamic equations. The spectral wave and roller models are calculated using finite-difference methods on nonuniform Cartesian grids. An efficient inline steering procedure is developed to couple the flow and wave models. The model is verified using seven analytical solution cases and validated using ten laboratory and five field test cases which cover a wide range of conditions, time and spatial scales. The hydrodynamic model simulates reasonably well long wave propagation, wetting and drying, recirculation flows near a spur-dike and a sudden channel expansion, and wind- and wave generated currents and water levels. The sediment transport model reproduces channel shoaling, erosion due to a clear-water inflow, downstream sediment sorting, and nearshore morphology change. Calculated longshore sediment transport rates are well simulated except near the shoreline where swash processes, which are not included, become dominant. Model sensitivity to the computation grid and calibration parameters is presented for several test cases

A contribution to the finite element analysis of high-speed compressible flows and aerodynamics shape optimization

This work covers a contribution to two most interesting research elds in aerodynamics, the fi nite element analysis of high-speed compressible flows (Part I) and aerodynamic shape optimization (Part II). The fi rst part of this study aims at the development of a new stabilization formulation based on the Finite Increment Calculus (FIC) scheme for the Euler and Navier-Stokes equations in the context of the Galerkin nite element method (FEM). The FIC method is based on expressing the balance of fluxes in a spacetime domain of nite size. It is tried to prevent the creation of instabilities normally presented in the numerical solutions due to the high convective term and sharp gradients. In order to overcome the typical instabilities happening in the numerical solution of the high-speed compressible flows, two stabilization terms, called streamline term and transverse term, are added through the FIC formulation in space-time domain to the original conservative equations of mass, momentum and energy. Generally, the streamline term holding the direction of the velocity is responsible for stabilizing the spurious solutions produced from the convective term while the transverse term smooths the solution in the high gradient zones. An explicit fourth order Runge-Kutta scheme is implemented to advance the solution in time. In order to investigate the capability of the proposed formulation, some numerical test examples corresponding to subsonic, transonic and supersonic regimes for inviscid and viscous flows are presented. The behavior of the proposed stabilization technique in providing appropriate solutions has been studied especially near the zones where the solution has some complexities such as shock waves, boundary layer, stagnation point, etc. Although the derived methodology delivers precise results with a nearly coarse mesh, the mesh refinement technique is coupled in the solution to create a suitable mesh particularly in the high gradient zones. The comparison of the numerical results obtained from the FIC formulation with the reference ones demonstrates the robustness of the proposed method for stabilization of the Euler and Navier-Stokes equations. It is observed that the usual oscillations occur in the Galerkin FEM, especially near the high gradient zones, are cured by implementing the proposed stabilization terms. Furthermore, allowing the adaptation framework to modify the mesh, the quality of the results improves signi cantly. The second part of this thesis proposes a procedure for aerodynamic shape optimization combining Genetic Algorithm (GA) and mesh re nement technique. In particular, it is investigated the e ect of mesh re nement on the computational cost and solution accuracy during the process of aerodynamic shape optimization. Therefore, an adaptive remeshing technique is joined to the CFD solver for the analysis of each design candidate to guarantee the production of more realistic solutions during the optimum design process in the presence of shock waves. In this study, some practical transonic airfoil design problems using adap- tive mesh techniques coupled to Multi-Objective Genetic Algorithms (MOGAs) and Euler flow analyzer are addressed. The methodology is implemented to solve three practical design problems; the fi rst test case considers a reconstruction design optimization that minimizes the pressure error between a prede ned pressure curve and candidate pressure distribution. The second test considers the total drag minimization by designing airfoil shape operating at transonic speeds. For the final test case, a multi-objective design optimization is conducted to maximize both the lift to drag ratio (L/D) and lift coe cient (Cl). The solutions obtained with and without adaptive mesh re nement are compared in terms of solution accuracy and computational cost. These design problems under transonic speeds need to be solved with a ne mesh, particularly near the object, to capture the shock waves that will cost high computational time and require solution accuracy. By comparison of the the numerical results obtained with both optimization problems, the obtainment of direct bene ts in the reduction of the total computational cost through a better convergence to the final solution is evaluated. Indeed, the improvement of the solution quality when an adaptive remeshing technique is coupled with the optimum design strategy can be judged.El presente trabajo pretende contribuir a dos de los campos de investigaci on m as interesantes en la aerodin amica, el an alisis num erico de flujos compresibles a alta velocidad (Parte I) y la optimizaci on de la forma aerodin amica (Parte II). La primera parte de este estudio se centra en la soluci on num erica de las ecuaciones de Navier-Stokes, que modelan el comportamiento de flujos compresibles a alta velocidad. La discretizaci on espacial se lleva a cabo mediante el m etodo de elementos nitos (FEM) y se pone especial enfasis en el desarrollo de una nueva formulaci on estabilizada basada en la t ecnica de c alculo de Incremento fi nitos (FIC). En este ultima, los t erminos de estabilizaci on convectiva se obtienen de manera natural de las ecuaciones de gobierno a trav es de postulados de conservaci on y equilibrio de flujos en un dominio espacio-tiempo de tamaño nito. Ello lleva a la obtenci on de dos t erminos de estabilizaci on que funcionan de manera complementaria. Uno act ua en direcci on de las lineas de corriente proporcionando la estabilizaci on necesaria para contrarestrar las inestabilidades propias de la forma discreta de Galerkin y el otro t ermino, de tipo shock capturing, act ua de manera transversal a las l neas de corriente y permite mejorar la soluci on num erica alrededor de discontinuidades y otro tipos de fen omenos localizados en el campo de soluci on de problema. La forma discreta de las ecuaciones de gobierno se completa mediante un esquema de integraci on temporal expl icito de tipo de Runge-Kutta de 4to orden. El esquema de soluci on b asico propuesto se complementa con una t ecnica de re namiento adaptativo de malla que permite mejorar autom aticamente la soluci on num erica en zonas localizadas del dominio en que, dadas las caracter sticas del flujo, se necesita una mayor resoluci on espacial. Con el prop osito de investigar el comportamiento de la formulaci on num erica se estudian diferentes casos de an alisis que implican flujos viscosos y no viscosos en r egimen subs onico, trans onico y supers onico y se estudia con especial detalle el funcionamiento de la t ecnica de estabilizaci on propuesta. Los resultados obtenidos demuestran una exactitud satisfactoria y una buena correlaci on con resultados presentes en la literatura, incluso cuando se trabaja con discretizaciones espaciales relativamente gruesas. Adicionalmente, los estudios num ericos realizados demuestran que el empleo del esquema adaptativo de malla es e ficaz para incrementar la exactitud de la soluci on numerica manteniendo un bajo coste computacional. En la segunda parte de este estudio se propone un m etodo para la optimizaci on de formas aerodin amicas que combina algoritmos gen eticos multiobjetivo (MOGAs) y remallado adaptativo con el objetivo de asegurar, con un coste computacional m nimo, la calidad de la soluci on numerica empleada en el proceso de b usqueda de un determinado diseño objetivo, particularmente cuando el flujo presenta discontinuidades y gradientes muy localizados, ti picos de flujos a alta velocidad. La metodolog a se aplica a resolver tres problemas pr acticos de diseño de per les aerodin amicos en flujo trans onico que implican la optimizaci on de la distribuci on de presiones, minimizaci on de la resistencia de onda y maximizaci on conjunta de la sustentaci on y la relaci on sustentaci on/resistencia. Para cada uno de ellos se estudia el efecto del re namiento en la calidad de la soluci on num erica as como tambi en en el coste computacional y la convergencia del problema. Los estudios realizados demuestran la e cacia de la metodolog a propuesta

The simulation of single phase, compressible fluid flow in fractured petroleum reservoirs using finite elements

Summary in English.Bibliography: leaves 181-193.In this thesis, commonly used equations governing the flow of fluids are reviewed, from first principles where appropriate. The assumptions that are made in the process are critically assessed and their limitations are discussed. The equations deal with flow through a porous and permeable medium, a single fracture, a network of fractures, and with the coupling of the fracture network and blocks of matrix material