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Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…
The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided…
The phase field paradigm, in combination with a suitable variational structure, has opened a path for using Griffith's energy balance to predict the fracture of solids. These so-called phase field fracture methods have gained significant…
Motivated by the inadequacy of conducting atomistic simulations of crack propagation using static boundary conditions that do not reflect the movement of the crack tip, we extend Sinclair's flexible boundary condition algorithm [Philos.…
Fracture is the ultimate source of failure of amorphous carbon (a-C) films, however it is challenging to measure fracture properties of a-C from nano-indentation tests and results of reported experiments are not consistent. Here, we use…
We present a new theoretical and computational framework for modelling electro-chemo-mechanical fracture. The model combines a phase field description of fracture with a fully coupled characterisation of electrolyte behaviour, surface…
Accurate prediction of fracture toughness under complex loading conditions, like mixed mode I/II, is essential for reliable failure assessment. This paper aims to develop a machine learning framework for predicting fracture toughness and…
Since the turn of the millennium, capitalizing on modern advances in mathematics and computation, a slew of computational models have been proposed in the literature with the objective of describing the nucleation and propagation of…
Soft materials including elastomers and gels are pervasive in biological systems and technological applications. Whereas it is known that intrinsic fracture energies of soft materials are relatively low, how the intrinsic fracture energy…
A spatiotemporal deep learning framework is proposed that is capable of 2D full-field prediction of fracture in concrete mesostructures. This framework not only predicts fractures but also captures the entire history of the fracture…
In this work, we describe our contribution to the Purdue-SANDIA-LLNL \emph{Damage Mechanics Challenge}. The phase field fracture model is adopted to blindly estimate the failure characteristics of the challenge test, an unconventional…
Fracture is a fundamental mechanism of materials failure. Propagating cracks can exhibit a rich dynamical behavior controlled by a subtle interplay between microscopic failure processes in the crack tip region and macroscopic elasticity. We…
We review the recent researches of numerical simulations on faulting, which are interpreted in this paper as the evolution of the state of the fault plane and the evolution of fault structure. The theme includes the fault constitutive…
The interaction of crack fronts with asperities is central to the criteria of fracture in heterogeneous materials and for predicting fracture surface formation. It is known how dynamic crack fronts respond to small, 1st-order,…
In a recent contribution, Kumar, Bourdin, Francfort, and Lopez-Pamies (J. Mech. Phys. Solids 142:104027, 2020) have introduced a comprehensive macroscopic phase-field theory for the nucleation and propagation of fracture in linear elastic…
Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of classical MD. Inspired by foundational large language models,…
We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…
Observing non-classical nucleation pathways remains challenging in simulations of complex materials with technological interests. This is because it requires very accurate force fields that can capture the whole complexity of their…
This paper presents eXtended Physics-Informed Neural Network (X-PINN), a novel and robust framework for addressing fracture mechanics problems involving multiple cracks in fractured media. To address this, an energy-based loss function,…
In this work, a combined modelling approach for crack propagation in defective graphene is presented. Molecular dynamics (MD) simulations are used to obtain material parameters (Young's modulus and Poisson ratio) and to determine the energy…