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Machine-learned force fields have generated significant interest in recent years as a tool for molecular dynamics (MD) simulations, with the aim of developing accurate and efficient models that can replace classical interatomic potentials.…
A phase field model of a crack front propagating in a three dimensional brittle material is used to study the fractographic patterns induced by the branching instability. The numerical results of this model give rise to crack surfaces that…
This paper presents an adaptive strategy for phase-field simulations with transition to fracture. The phase-field equations are solved only in small subdomains around crack tips to determine propagation, while an XFEM discretization is used…
Atomistic modeling of thin-film processes provides an avenue not only for discovering key chemical mechanisms of the processes but also to extract quantitative metrics on the events and reactions taking place at the gas-surface interface.…
Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…
We consider a one-dimensional fracture problem modelled using either the phase-field or lip-field approach. In both cases, we optimise the incremental potential with respect to the displacement and damage fields and the nodal coordinates of…
The mechanical behavior of composite materials is significantly influenced by their structure and constituent materials. One emerging class of composite materials is irregular network reinforced composites (NRC's), whose reinforcing phase…
Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in…
Bolted joints are critical in engineering for maintaining structural integrity and reliability. Accurate prediction of parameters influencing their function and behavior is essential for optimal performance. Traditional methods often fail…
Molecular-dynamics simulations of fracture in metallic glass-like systems are observed to undergo embrittlement due to a small change in interatomic potential. This change in fracture toughness, however, is not accompanied by a…
Structural and topological information play a key role in modeling flow and transport through fractured rock in the subsurface. Discrete fracture network (DFN) computational suites such as dfnWorks are designed to simulate flow and…
Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…
We present a general procedure to introduce electronic polarization into classical Molecular Dynamics (MD) force-fields using a Neural Network (NN) model. We apply this framework to the simulation of a solid-liquid interface where the…
A series of recent papers have modified the classical variational phase-field fracture models to successfully predict both the nucleation and propagation of cracks in brittle fracture under general loading conditions. This is done through…
While crack nucleation and propagation in the brittle or quasi-brittle regime can be predicted via variational or material-force-based phase field fracture models, these models often assume that the underlying elastic response of the…
Neutrino physics is advancing into a precision era with the construction of new experiments, particularly in the few GeV energy range. Within this energy range, neutrinos exhibit diverse interactions with nucleons and nuclei. This study…
Understanding material failure is critical for designing stronger and lighter structures by identifying weaknesses that could be mitigated. Existing full-physics numerical simulation techniques involve trade-offs between speed, accuracy,…
Phase-field models are a leading approach for realistic fracture problems. They treat the crack as a second phase and use gradient terms to smear out the crack faces, enabling the use of standard numerical methods for simulations. This…
Accurate determination of nuclear fission barrier heights is essential for understanding nuclear stability, fission dynamics, and nucleosynthesis. However, theoretical models such as the Extended Thomas-Fermi plus Strutinsky Integral…
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…