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We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…

Computational Physics · Physics 2015-06-05 Phani Motamarri , Michael R Nowak , Kenneth Leiter , Jaroslaw Knap , Vikram Gavini

In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…

Materials Science · Physics 2011-11-08 J. Novák , Ł. Kaczmarczyk , P. Grassl , J. Zeman , C. J. Pearce

We introduce a method that combines neural operators, physics-informed machine learning, and standard numerical methods for solving PDEs. The proposed approach extends each of the aforementioned methods and unifies them within a single…

Computational Engineering, Finance, and Science · Computer Science 2025-12-02 Shahed Rezaei , Reza Najian Asl , Kianoosh Taghikhani , Ahmad Moeineddin , Michael Kaliske , Markus Apel

We propose a parametric finite element method (PFEM) for efficiently solving the morphological evolution of solid-state dewetting of thin films on a flat rigid substrate in three dimensions (3D). The interface evolution of the dewetting…

Computational Physics · Physics 2020-03-03 Quan Zhao , Wei Jiang , Weizhu Bao

Deformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully resolves the momentum balance in the solid…

Computational Physics · Physics 2019-03-11 Amir Saadat , Chris J. Guido , Gianluca Iaccarino , Eric S. G. Shaqfeh

This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…

Materials Science · Physics 2025-12-01 Boyang Gu , Adrian Diaz , Yang Li , Youping Chen

This paper presents an efficient parallel direct algorithm with near-optimal complexity for the compact fourth and sixth-order approximation of the three-dimensional Helmholtz equations [1] with the problem coefficient depending on only one…

Numerical Analysis · Mathematics 2020-03-13 Ronald Gonzales , Yury Gryazin , Yun Teck Lee

In the field of brittle fracture animation, generating realistic destruction animations using physics-based simulation methods is computationally expensive. While techniques based on Voronoi diagrams or pre-fractured patterns are effective…

Graphics · Computer Science 2025-02-21 Yuhang Huang , Takashi Kanai

We employ a domain decomposition approach with Lagrange multipliers to implement fault slip in a finite-element code, PyLith, for use in both quasi-static and dynamic crustal deformation applications. This integrated approach to solving…

Geophysics · Physics 2013-08-28 Brad T. Aagaard , Matthew G. Knepley , Charles A. Williams

Over the past seven years, full-field analyses of a wide range of classical as well as modern quasi-static fracture experiments on nominally elastic brittle materials -- ranging from hard ceramics to soft elastomers -- have repeatedly…

Materials Science · Physics 2024-11-26 Yangyuanchen Liu , Oscar Lopez-Pamies , John E. Dolbow

In this work we introduce and analyze a new multiscale method for strongly nonlinear monotone equations in the spirit of the Localized Orthogonal Decomposition. A problem-adapted multiscale space is constructed by solving linear local…

Numerical Analysis · Mathematics 2020-12-16 Barbara Verfürth

This study introduces a physics-based machine learning framework for modeling both brittle and ductile fractures. Unlike physics-informed neural networks, which solve partial differential equations by embedding physical laws as soft…

Numerical Analysis · Mathematics 2025-02-14 Fadi Aldakheel , Elsayed S. Elsayed , Yousef Heider , Oliver Weeger

When modelling discontinuities (interfaces) using the finite element method, the standard approach is to use a conforming finite-element mesh in which the mesh matches the interfaces. However, this approach can prove cumbersome if the…

Computational Engineering, Finance, and Science · Computer Science 2024-06-06 Jedrzej Dobrzanski , Kajetan Wojtacki , Stanislaw Stupkiewicz

We propose a space-time scheme that combines an unfitted finite element method in space with a discontinuous Galerkin time discretisation for the accurate numerical approximation of parabolic problems with moving domains or interfaces. We…

Numerical Analysis · Mathematics 2023-01-23 Santiago Badia , Hridya Dilip , Francesc Verdugo

An estimate of the effective toughness of heterogeneous materials is proposed based on the Phase Field Fracture model implemented in an FFT homogenization solver. The estimate is based on the simulation of the deformation of representative…

Materials Science · Physics 2025-08-12 Pedro Aranda , Javier Segurado

We begin by addressing the time-domain full-waveform inversion using the adjoint method. Next, we derive the scaled boundary semi-weak form of the scalar wave equation in heterogeneous media through the Galerkin method. Unlike conventional…

Numerical Analysis · Mathematics 2025-01-14 Alireza Daneshyar , Stefan Kollmannsberger

Variational phase-field models of brittle fracture are powerful tools for studying Griffith-type crack propagation in complex scenarios. However, as approximations of Griffith's theory-which does not incorporate a strength criterion-these…

Applied Physics · Physics 2026-01-06 Francesco Vicentini , Jonas Heinzmann , Pietro Carrara , Laura De Lorenzis

We consider an elliptic partial differential equation in non-divergence form with a random diffusion matrix and random forcing term. To address this, we propose a mixed-type continuous finite element discretization in the physical domain,…

Numerical Analysis · Mathematics 2025-12-04 Amireh Mousavi

We solve first-kind Fredholm boundary integral equations arising from Helmholtz and Laplace problems on bounded, smooth screens in three-dimensions with either Dirichlet or Neumann conditions. The proposed Galerkin-Bubnov method takes as…

Numerical Analysis · Mathematics 2020-11-12 Jose Pinto , Carlos Jerez-Hanckes

Solving Partial Differential Equation (PDE) interface problems on varying domains is a critical task in design and optimization, yet it remains computationally prohibitive for traditional solvers. Although operator learning has shown…

Numerical Analysis · Mathematics 2026-04-07 Shanshan Xiao , Ye Li , Zhongyi Huang , Hao Wu