Related papers: Computational Homogenization of Polycrystals
Computational modelling of diffusion in heterogeneous media is prohibitively expensive for problems with fine-scale heterogeneities. A common strategy for resolving this issue is to decompose the domain into a number of non-overlapping…
A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…
The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…
Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
A computational approach by an implementation of the Principle Component Analysis (PCA) with K-means and Gaussian Mixture (GM) clustering methods from Machine Learning (ML) algorithms to identify structural and dynamical heterogeneities of…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
A novel approach to the modelling and simulation of the industrial compaction process of ceramic powders is proposed, based on a combination of: (i) continuum mechanics modelling of the constitutive response of the material; (ii) finite…
In homogenization theory, mathematical models at the macro level are constructed based on the solution of auxiliary cell problems at the micro level within a single periodicity cell. These problems are formulated using asymptotic expansions…
In this paper, we propose and analyze a new stochastic homogenization method for diffusion equations with random and fast oscillatory coefficients. In the proposed method, the homogenized solutions are sought through a two-stage procedure.…
A numerical strategy to simulate plastic deformation in Mg alloys including dislocation slip and twin propagation is presented. Dislocation slip is included through a crystal plasticity model which is solved using the finite element method…
We present an efficient method for the computation of homogenized coefficients of divergence-form operators with random coefficients. The approach is based on a multiscale representation of the homogenized coefficients. We then implement…
In the present work, the evolution of damage in periodic composite materials is investigated through a novel finite element-based multiscale computational approach. The methodology is developed by means of the original combination of…
We propose to homogenize a periodic (along one direction) structure, first in order to verify the quasi-static prediction of its response to an acoustic wave arising from mixing theory, then to address the question of what becomes of this…
Fully resolving dynamics of materials with rapidly-varying features involves expensive fine-scale computations which need to be conducted on macroscopic scales. The theory of homogenization provides an approach to derive effective…
We provide an overview of the different types of computational techniques developed over the years to study supercooled liquids, glassy materials and the physics of the glass transition. We organise these numerical strategies into four…
We develop a computational method based on an Eulerian field called the "reference map", which relates the current location of a material point to its initial. The reference map can be discretized to permit finite-difference simulation of…
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…
In computational homogenization, a fast solution of the microscopic problem can be achieved by model order reduction in combination with hyper-reduction. Such a technique, which has recently been proposed in the context of magnetostatics,…