Related papers: Continuum Damage Model for Hydrogen Embrittlement …
Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The impurity creates an internal stress field that can be…
Many geo-engineering applications, e.g., enhanced geothermal systems, rely on hydraulic fracturing to enhance the permeability of natural formations and allow for sufficient fluid circulation. Over the past few decades, the phase-field…
Accurate predictions of the failure progression of structural materials is critical for preventing failure-induced accidents. Despite considerable mechanics modeling-based efforts, accurate prediction remains a challenging task in…
A new model is presented to predict hydrogen-assisted fatigue. The model combines a phase field description of fracture and fatigue, stress-assisted hydrogen diffusion, and a toughness degradation formulation with cyclic and hydrogen…
We address a three-dimensional model capable of describing coupled damage and plastic effects in solids at finite strains. Formulated within the variational setting of {\it generalized standard materials}, the constitutive model results…
Artificial neural network potentials (NNPs) have emerged as effective tools for understanding atomic interactions at the atomic scale in various phenomena. Recently, we developed highly transferable NNPs for {\alpha}-iron and…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
We investigate the influence of hydrogen on the electronic structure of a binary transition metallic glass of V$_{80}$Zr$_{20}$. We examine the hybridization between the hydrogen and metal atoms with the aid of hard x-ray photoelectron…
Attractive colloidal dispersions, suspensions of fine particles which aggregate and frequently form a space spanning elastic gel are ubiquitous materials in society with a wide range of applications. The colloidal networks in these…
In this paper, a novel hybrid FEM and Peridynamic modeling approach proposed in Ni et al. (2020) is used to predict the dynamic solution of hydro-mechanical coupled problems. A modified staggered solution algorithm is adopted to solve the…
A robust $hp$-adaptive finite element framework is presented for the investigation of static cracks in materials characterized by complex, pointwise density variations. Within such heterogeneous media, the equilibrium equation governed by…
The activity of metal catalysts depends sensitively on dynamic structural changes that occur during operating conditions. The mechanistic understanding underlying such transformations in small Pt nanoparticles (NPs) of $\sim1-5$ nm in…
Highly-deformable materials, from synthetic hydrogels to biological tissues, are becoming increasingly important from both fundamental and practical perspectives. Their mechanical behaviors, in particular the dynamics of crack propagation…
A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…
This study presents a phase field model for brittle fracture in fluid-infiltrating vuggy porous media. While the state-of-the-art in hydraulic phase field fracture considers Darcian fracture flow with enhanced permeability along the crack,…
A state coupling between the hydrostatic (volumetric) and deviatoric parts of the free energy is introduced in a damage mechanics model relevant for the quasi-brittle materials. It is shown that it describes the large dilatancy of concrete…
This work aims to provide a computational model that can describe the complex behaviour of refractory industrial components under working conditions. Special attention is given to the asymmetric tension-compression behaviour and its…
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…
The failure of heterogeneous materials with microstructures is a complex process of damage nucleation, growth and localisation. This process spans multiple length scales and is challenging to simulate numerically due to its high…
Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites through polyhedral tessellation and first-principles…