The present work presents a framework for multiscale modeling of multimaterial flows using surrogate modeling techniques in the particular context of shocks interacting with clusters of particles. The work builds a framework for bridging scales in shock-particle interaction by using ensembles of resolved mesoscale computations of shocked particle laden flows. The information from mesoscale models is “lifted” by constructing metamodels of the closure terms - the thesis analyzes several issues pertaining to surrogate-based multiscale modeling frameworks.
First, to create surrogate models, the effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver.
After this, closure laws for drag are constructed in the form of surrogate models derived from real-time resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that unlike the DKG method, the MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments.
In macroscale models for shock-particle interactions, Subgrid Particle Reynolds’ Stress Equivalent (SPARSE) terms arise because of velocity fluctuations due to fluid-particle interaction in the subgrid/meso scales. Mesoscale computations are performed to calculate the SPARSE terms and the kinetic energy of the fluctuations for different values of Mach Number and particle volume fraction. Closure laws for SPARSE terms are constructed using the MBKG method. It is found that the directions normal and parallel to those of shock propagation are the principal directions of the SPARSE tensor. It is also found that the kinetic energy of the fluctuations is independent of the particle volume fraction and is 12-15% of the incoming shock kinetic energy for higher Mach Numbers.
Finally, the thesis addresses the cost of performing large ensembles of resolved mesoscale computations for constructing surrogates. Variable fidelity techniques are used to construct an initial surrogate from ensembles of coarse-grid, relative inexpensive computations, while the use of resolved high-fidelity simulations is limited to the correction of initial surrogate. Different variable-fidelity techniques, viz the Space Mapping Method, RBFs and the MBKG methods are evaluated based on their ability to correct the initial surrogate. It is found that the MBKG method uses the least number of resolved mesoscale computations to correct the low-fidelity metamodel. Instead of using 56 high-fidelity computations for obtaining a surrogate, the MBKG method constructs surrogates from only 15 resolved computations, resulting in drastic reduction of computational cost.