Finite Element Theory for PHIMATS

TL;DR

PHIMATS presents a comprehensive finite element framework for phase field multiphysics simulations, detailing isoparametric discretization, weak form construction, and a suite of constitutive models. The document covers heat transfer, fully kinetic solute transport, isotropic elasticity, nonlinear plasticity, and phase field fracture, with explicit FE discretization and solution strategies including Newton-Raphson and staggered coupling. It elucidates modular constitutive relations for interfaces, dislocations, damage, and crack driving forces, enabling robust multiphysics coupling and damage evolution. The work supports open source, scalable simulations using PHIMATS and PETSc solvers for high performance computing applications.

Abstract

This document summarizes the main concepts of the finite element (FE) theory and constitutive relations as implemented in the open-source code phase-field multiphysics materials simulator PHIMATS https://github.com/ahcomat/PHIMATS. PHIMATS is written in C++ and uses Python for pre- and post-processing. It provides tools for discretizing the weak form of partial differential equations (PDE), interfacing with PETSc data structures (Vec/Mat) and solvers (KSP/SNES). The framework supports both single-physics and coupled multiphysics problems primarily using staggered coupling schemes. Hands-on examples can be found in the CaseStudies directory on GitHub repository. Rather than detailing the derivations of specific models, this document focuses on the key mathematical formulations and numerical strategies used within the implementation. For in-depth theoretical discussions, the reader is encouraged to consult the references. For citing this document, please use: [Abdelrahman Hussein. Finite Element Theory for PHIMATS. 2025. doi: 10.48550/ARXIV.2502.16283].

Figures (1)

• Figure 1: Phase-field representation of the 1D diffuse crack topology.