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Discrete dislocation dynamics (DDD) simulations offer valuable insights into the plastic deformation and work-hardening behavior of metals by explicitly modeling the evolution of dislocation lines under stress. However, the computational…

Materials Science · Physics 2023-08-22 Rasool Ahmad , Wei Cai

Hydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between…

Green hydrogen is likely to play a major role in decarbonising the aviation industry. It is crucial to understand the effects of microstructure on hydrogen redistribution, which may be implicated in the embrittlement of candidate fuel…

Materials Science · Physics 2025-10-28 Daniel J Long , Edmund Tarleton , Alan CF Cocks , Felix Hofmann

Plastic deformation is mediated by the creation and movement of dislocations, and at high stress the latter is dominated by dislocation drag from phonon wind. By simulating a 1-D shock impact problem we analyze the importance of accurately…

Materials Science · Physics 2021-06-15 Daniel N. Blaschke , Darby J. Luscher

This work proposes a dislocation density-based strain gradient $J_2$ plasticity framework that models the strength contribution due to Geometrically Necessary Dislocations (GNDs) using a lower order, Taylor hardening backstress model. An…

Materials Science · Physics 2022-05-04 Anirban Patra , Namit Pai , Parhitosh Sharma

In this work hydrogen diffusion towards the fracture process zone is examined accounting for local hardening due to geometrically necessary dislocations (GNDs) by means of strain gradient plasticity (SGP). Finite element computations are…

In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation in a two dimensional crystal. The intention is that results…

Materials Science · Physics 2007-05-23 N. Bailey , J. Sethna , C. Myers

Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…

Materials Science · Physics 2026-01-12 Bhanuj Jain , Alaa Olleak , Junyan He , Adarsh Chaurasia , Davide Di Stefano

Plastic deformation in microscale differs from the macroscopic plasticity in two respects: (i) the flow stress of small samples depends on their size (ii) the scatter of plasticity increases significantly. In this work we focus on the…

Materials Science · Physics 2015-03-10 Olga Kapetanou , Vasilis Koutsos , Efstathios Theotokoglou , Daniel Weygand , Michael Zaiser

The United States Department of Energy (DOE) has set ambitious targets for hydrogen storage materials for onboard light-duty cars which are to be achieved by 2027. One of the major problems in solid hydrogen storage materials is the…

Materials Science · Physics 2023-12-12 Sourabh Singha , Abhijit Chatterjee

Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of…

Materials Science · Physics 2024-08-28 Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri

High entropy alloys gained significant scientific interest in recent years due to their enhanced mechanical properties including high yield strength combined with outstanding ductility. The strength of these materials originates from their…

Materials Science · Physics 2025-07-29 Dénes Berta , Péter Dusán Ispánovity

Hydrogels have had a profound impact in the fields of tissue engineering, drug delivery, and materials science as a whole. Due to the network architecture of these materials, imbibement with water often results in uniform swelling and…

We present an implicit, fully-coupled hydro-mechanical solver for the three dimensional simulation of fluid-driven rupture propagation along existing discontinuities. The solver handles simultaneously frictional slip (shear failure) and…

We present a new theoretical and numerical phase field-based formulation for predicting hydrogen-assisted fatigue. The coupled deformation-diffusion-damage model presented enables predicting fatigue crack nucleation and growth for arbitrary…

Computational Engineering, Finance, and Science · Computer Science 2021-10-02 Alireza Golahmar , Philip K. Kristensen , Christian F. Niordson , Emilio Martínez-Pañeda

We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Luchan Zhang , Yang Xiang

The present research is the first attempt to systematically quantify the dislocation-precipitate interaction in terms of applied shear stress, precipitate resistance, and the required time to reach the critical state of…

Materials Science · Physics 2017-11-07 Amirreza Keyhani , Reza Roumina

The multiscale picture of hydrogen embrittlement (HE) mechanisms has been under controversy for a long time. Here I report a thermomechanically-consistent HERB framework driven by the Rice-Beltz concept meanwhile incorporating the hydrogen…

Materials Science · Physics 2026-03-04 Kai Zhao

We present a compelling finite element framework to model hydrogen assisted fatigue by means of a hydrogen- and cycle-dependent cohesive zone formulation. The model builds upon: (i) appropriate environmental boundary conditions, (ii) a…

Materials Science · Physics 2017-11-29 Susana del Busto , Covadonga Betegón , Emilio Martínez-Pañeda

Hydrogen plays an important role in driving decarbonization within the current global energy landscape. As hydrogen infrastructures rapidly expand beyond their traditional applications, there is a need for comprehensive safety practices,…