Related papers: An efficient numerical framework for the amplitude…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
A phase field crystal model is used to investigate the mechanisms of formation and growth of early clusters in quenched/aged dilute binary alloys, a phenomenon typically outside the scope of molecular dynamics time scales. We show that…
This article presents a novel, robust and efficient framework for fatigue crack-propagation that combines the principles of Linear Elastic Fracture Mechanics (LEFM) with phase-field fracture (PFF). Contrary to cycle-by-cycle PFF approaches,…
We study dendritic microstructure evolution using an adaptive grid, finite element method applied to a phase-field model. The computational complexity of our algorithm, per unit time, scales linearly with system size, rather than the…
The subject of this work is an adaptive stochastic Galerkin finite element method for parametric or random elliptic partial differential equations, which generates sparse product polynomial expansions with respect to the parametric…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can…
The specificity of modal-expansion formalisms is their capabilities to model the physical properties in the natural resonance-state basis of the system in question, leading to a transparent interpretation of the numerical results. In…
Fatigue fracture is one of the main causes of failure in structures. However, the simulation of fatigue crack growth is computationally demanding due to the large number of load cycles involved. Metals in the low cycle fatigue range often…
A methodology for computing expansion basis functions using discrete harmonic modes is presented. The discrete harmonic modes are determined grain-by-grain for virtual polycrystals for which finite element meshes are available. The…
In the phase-field modeling of brittle fracture, anisotropic constitutive assumptions for the degradation of stored elastic energy due to fracture are crucial to preventing cracking in compression and obtaining physically sound numerical…
This paper develops three linear and energy-stable schemes for a modified phase field crystal model with a strong nonlinear vacancy potential (VMPFC model). This sixth-order phase-field model enables realistic crystal growth simulation.…
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…
The phase field approach to modeling fracture uses a diffuse damage field to represent a crack. This addresses the singularities that arise at the crack tip in computations with sharp interface models, mollifying some of the difficulties…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Standardization of data formats in a scientific discipline brings a range of benefits to researchers, as it enables the sharing of workflows and solutions to common problems, provides the foundation for generically useful tools that can be…
In this work, two fast multipole boundary element formulations for the linear time-harmonic acoustic analysis of finite periodic structures are presented. Finite periodic structures consist of a bounded number of unit cell replications in…
Efficient modeling of dispersive materials via time-domain simulations of the Maxwell equations relies on the technique of auxiliary differential equations. In this approach, a material's frequency-dependent permittivity is represented via…
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation invariant functions, particularly with an eye to modelling…
The increasing demand for renewable energy and shortage of resources in today's world has been stimulating researchers to explore means for the extraction of energy from wasted heat sources. Thermoelectric materials can convert thermal…