相关论文: An FFT based chemo-mechanical framework with fract…
We develop a robust cut finite element method for a model of diffusion in fractured media consisting of a bulk domain with embedded cracks. The crack has its own pressure field and can cut through the bulk mesh in a very general fashion.…
Fluid flow in rough fractures and the coupling with the mechanical behaviour of the fractures pose great difficulties for numerical modeling approaches, due to complex fracture surface topographies, the non-linearity of hydromechanical…
We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions.…
We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…
An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
The favored phase field method (PFM) has encountered challenges in the finite strain fracture modeling of nearly or truly incompressible hyperelastic materials. We identified that the underlying cause lies in the innate contradiction…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
We introduce an FFT-based solver for the combinatorial continuous maximum flow discretization applied to computing the minimum cut through heterogeneous microstructures. Recently, computational methods were introduced for computing the…
Variational phase-field methods have been shown powerful for the modeling of complex crack propagation without a priori knowledge of the crack path or ad hoc criteria. However, phase-field models suffer from their energy functional being…
We have developed a multi-orbital approach to compute the electronic structure of a quantum impurity using the non-crossing approximation. The calculation starts with a mean-field evaluation of the system's electronic structure using a…
Understanding the fracture mechanisms in composite materials across scales, from nano- to micro-scales, is essential for an in-depth understanding of the reinforcement mechanisms and designing the next generation of lightweight,…
The method of large spin perturbation theory allows to analyse conformal field theories (CFT) by turning the crossing equations into an algebraic problem. We apply this method to a generic CFT with weakly broken higher spin (HS) symmetry,…
This study evaluates four widely used fracture simulation methods, comparing their computational expenses and implementation complexities within the Finite Element (FE) framework when employed on heterogeneous solids. Fracture methods…
Fractured metal fragments with rough and irregular surfaces are often found at crime scenes. Current forensic practice visually inspects the complex jagged trajectory of fractured surfaces to recognize a ``match'' using comparative…
The computational efficiency and rapid convergence of fast Fourier transform (FFT)-based solvers render them a powerful numerical tool for periodic cell problems in multiscale modeling. On regular grids, they tend to outperform traditional…
Fourier-accelerated micromechanical homogenization has been developed and applied to a variety of problems, despite being prone to ringing artifacts. In addition, the majority of Fourier-accelerated solvers applied to FFT-accelerated…
We extend the phase field crystal (PFC) framework to quantitative modeling of polycrystalline graphene. PFC modeling is a powerful multiscale method for finding the ground state configurations of large realistic samples that can be further…
The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) trial wave functions' fast Fourier transform (FFT) is a…
We discuss an effective field theory (EFT) approach to the computation of fluctuation-induced interactions between particles bound to a thermally fluctuating fluid surface controlled by surface tension. By describing particles as points,…