Related papers: Comparative study of multiscale computational stra…
Plastic deformation of most crystalline materials is due to the motion of lattice dislocations. Therefore, the simulation of the interaction and dynamics of these defects has become state-of-the-art method to study work hardening, size…
The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…
Mineral precipitation and dissolution processes in a porous medium can alter the structure of the medium at the scale of pores. Such changes make numerical simulations a challenging task as the geometry of the pores changes in time in an…
Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid…
Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…
Brittle fracturing of materials is common in natural and industrial processes over a variety of length scales. Knowledge of individual particle dynamics is vital to obtain deeper insight into the atomistic processes governing crack…
We consider a two-phase Darcy flow in a fractured and deformable porous medium for which the fractures are described as a network of planar surfaces leading to so-called hybrid-dimensional models. The fractures are assumed open and filled…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
While approaches to model the progression of fracture have received significant attention, methods to find the solution to the associated nonlinear equations have not. In general, nonlinear solution methods and optimization methods have a…
Two-scale models pose a promising approach in simulating reactive flow and transport in evolving porous media. Classically, homogenized flow and transport equations are solved on the macroscopic scale, while effective parameters are…
We propose an extension of the discretization approaches for multilayer shallow water models, aimed at making them more flexible and efficient for realistic applications to coastal flows. A novel discretization approach is proposed, in…
Differential shrinkage in particulate quasi-brittle materials causes microcracking which reduces durability in these materials by increasing their mass transport properties. A hydro-mechanical three-dimensional periodic network approach was…
Many dense granular systems are non-monodisperse, consisting of particles of different sizes, and will segregate based on size during flow. This phenomenon is an important aspect of many industrial and geophysical processes, necessitating…
Time-evolving perforated domains arise in many engineering and geoscientific applications, including reactive transport, particle deposition, and structural degradation in porous media. Accurately capturing the macroscopic behavior of such…
The permeability of complex porous materials can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as…
Harmonic decomposition of surfaces, such as spherical and spheroidal harmonics, is used to analyze morphology, reconstruct, and generate surface inclusions of particulate microstructures. However, obtaining high-quality meshes of…
Simulation is a fundamental research tool in the computer architecture field. These kinds of tools enable the exploration and evaluation of architectural proposals capturing the most relevant aspects of the highly complex systems under…
Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this mechanism at the continuum level is computationally expensive or, in some cases, intractable. The…