Scientists and engineers often create accurate, trustworthy, computational simulation schemes - but all too often these are too computationally expensive to execute over the time or spatial domain of interest. The equation-free approach is to marry such trusted simulations to a framework for numerical macroscale reduction - the patch dynamics scheme. This article extends the patch scheme to scenarios in which the trusted simulation resolves abrupt state changes on the microscale that appear as shocks on the macroscale. Accurate simulation for problems in these scenarios requires extending the patch scheme by capturing the shock within a novel patch, and also modifying the patch coupling rules in the vicinity in order to maintain accuracy. With these two extensions to the patch scheme, straightforward arguments derive consistency conditions that match the usual order of accuracy for patch schemes. The new scheme is successfully tested on four archetypal problems. This technique will empower scientists and engineers to accurately and efficiently simulate, over large spatial domains, multiscale multiphysics systems that have rapid transition layers on the microscale.
Modern `smart' materials have complex microscale structure, often with unknown macroscale closure. The Equation-Free Patch Scheme empowers us to non-intrusively, efficiently, and accurately simulate over large scales through computations on only small well-separated patches of the microscale system. Here the microscale system is a solid beam of random heterogeneous elasticity. The continuing challenge is to compute the given physics on just the microscale patches, and couple the patches across un-simulated macroscale space, in order to establish efficiency, accuracy, consistency, and stability…
A slowly-varying or thin-layer multiscale assumption empowers macroscale understanding of many physical scenarios from dispersion in pipes and rivers, including beams, shells, and the modulation of nonlinear waves, to homogenisation of micro-structures. Here we begin a new exploration of the scenario where the given physics has non-local microscale interactions. We rigorously analyse the dynamics of a basic example of shear dispersion. Near each cross-section, the dynamics is expressed in the local moments of the microscale non-local effects. Centre manifold theory then supports the local mode…
In this work, we introduce a time memory formalism in poroelasticity model that couples the pressure and displacement. We assume this multiphysics process occurs in multicontinuum media. The mathematical model contains a coupled system of equations for pressures in each continuum and elasticity equations for displacements of the medium. We assume that the temporal dynamics is governed by fractional derivatives following some works in the literature. We derive an implicit finite difference approximation for time discretization based on the Caputo time fractional derivative. A Discrete Fracture …
Recently, several approaches for multiscale simulations for problems with high contrast and no scale separation are introduced. Among them is the nonlocal multicontinua (NLMC) method, which introduces multiple macroscopic variables in each computational grid. These approaches explore the entire coarse block resolution and one can obtain optimal convergence results independent of contrast and scales. However, these approaches are not amenable to many multiscale simulations, where the subgrid effects are much smaller than the coarse-mesh resolution. For example, the molecular dynamics of shale g…
The fracture simulation of random particle reinforced composite structures remains a challenge. Current techniques either assumed a homogeneous model, ignoring the microstructure characteristics of composite structures, or considered a micro-mechanical model, involving intractable computational costs. This paper proposes a peridynamics-based statistical multiscale (PSM) framework to simulate the macroscopic structure fracture with high efficiency. The heterogeneities of composites, including the shape, spatial distribution and volume fraction of particles, are characterized within the represen…
Adaptive Finite Element Solution of Multiscale PDE-ODE Systems
Simula Research Laboratory（Simula研究实验室）；Florida State University（佛罗里达州立大学）；University of Texas at Austin（德克萨斯大学奥斯汀分校）；Colorado State University（科罗拉多州立大学）；University of Wyoming（怀俄明大学）；Umea University（于默奥大学）
Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in high-performance applications is the presence of manufacturing-induced, spatially varying porosity defects. In order to understand the impacts of these defects on the macro-mechanical properties of cast alloys, multiscale simulations are often required. In this paper, we introduce a computationally efficient reduced-order multiscale framework to simulate the b…
The Equation-Free approach to efficient multiscale numerical computation marries trusted micro-scale simulations to a framework for numerical macro-scale reduction -- the patch dynamics scheme. A recent novel patch scheme empowered the Equation-Free approach to simulate systems containing shocks on the macro-scale. However, the scheme did not predict the formation of shocks accurately, and it could not simulate moving shocks. This article resolves both issues, as a first step in one spatial dimension, by embedding the Equation-Free, shock-resolving patch scheme within a classic framework for a…
In this paper, we first develop a mathematical model for long-range, hydrophobic attraction between amphiphilic particles. The non-pairwise interactions follow from the first variation of a hydrophobic attraction domain functional. The variation yields a hydrophobic stress that is used to numerically calculate trajectories for a collection of two-dimensional particles. The functional minimizer that accounts for hydrophobicity at molecular-aqueous interfaces is a solution to a boundary value problem of the screened Laplace equation. We reformulate the boundary value problem as a second-kind int…
We propose a novel Monte-Carlo based ab-initio algorithm for directly computing the statistics for quantities of interest in an immiscible two-phase compressible flow. Our algorithm samples the underlying probability space and evolves these samples with a sharp interface front-tracking scheme. Consequently, statistical information is generated without resorting to any closure assumptions and information about the underlying microstructure is implicitly included. The proposed algorithm is tested on a suite of numerical experiments and we observe that the ab-initio procedure can simulate a varie…
