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Palladium hydride is a model system for studying metal-hydrogen interactions. Yet, its bulk electronic structure has proven difficult to directly probe, with most studies to date limited to surface-sensitive photoelectron spectroscopy…

In this contribution, a novel framework for simulating mixed-mode failure in rock is presented. Based on a hybrid phase-field model for mixed-mode fracture, separate phase-field variables are introduced for tensile (mode I) and shear (mode…

Computational Engineering, Finance, and Science · Computer Science 2023-12-05 Lisa Hug , Martin Potten , Georg Stockinger , Kurosch Thuro , Stefan Kollmannsberger

We consider the problem of heterogeneous nucleation and growth. The system is described by a phase field model in which the temperature is included through thermal noise. We show that this phase field approach is suitable to describe…

Statistical Mechanics · Physics 2009-11-07 Mario Castro

Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…

Impacts of liquid droplets on wind turbine blade surfaces, for example sea sprays, can result in material damage through erosion. In this study, we derive an explicit, closed-form analytical approximation for droplet impact and subsequent…

Core-shell electrode particles are a promising morphology control strategy for high-performance lithium-ion batteries. However, experimental observations reveal that these structures remain prone to mechanical failure, with shell fractures…

Computational Engineering, Finance, and Science · Computer Science 2025-11-14 Y. Tu , B. Wu , E. Martínez-Pañeda

Sintering is a widespread manufacturing process, accounting for a significant portion of global energy expenditure. However, controlling this process has been mostly a trial-and-error process, being costly in both time and money. The recent…

Materials Science · Physics 2025-10-23 Marco Seiz , Tomohiro Takaki

Zirconium alloys are widely used in the nuclear industry because of their high strength, good corrosion resistance and low neutron absorption cross-section. However, zirconium has strong affinity for hydrogen which leads to hydrogen…

Materials Science · Physics 2014-08-21 T. Maimaitiyili , A. Steuwer , J. Blomquist , B. Matthew , Z. Olivier , J. Andrieux , C. Bjerken , R. Fabienne

A pressure-induced simultaneous metal-insulator transition (MIT) and structural-phase transformation in lithium hydride with about 1% volume collapse has been predicted by means of the local density approximation (LDA) in conjunction with…

Materials Science · Physics 2009-11-10 S. Lebègue , M. Alouani , B. Arnaud , W. E. Pickett

The developed computational approach is capable of initiating and propagating cracks inside materials and along material interfaces of general multi-domain structures under quasi-static conditions. Special attention is paid to particular…

Computational Engineering, Finance, and Science · Computer Science 2023-08-23 Roman Vodička

While numerous models exist which explain certain aspects of irradiation-induced nanopatterning on semiconductors, a comprehensive theoretical explanation has remained elusive. However, it is increasingly apparent that such a model will…

Mesoscale and Nanoscale Physics · Physics 2026-05-21 Tyler P. Evans , Scott A. Norris

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…

Computational Engineering, Finance, and Science · Computer Science 2024-03-28 Y. Navidtehrani , R. Duddu , E. Martínez-Pañeda

The vision of a hydrogen economy demands efficient platforms to close the gap between sustainable proton sources and solid-state hydrogen carriers. Metal hydrides serve as key carriers, yet their synthesis remains constrained by the…

Strongly anisotropic geomaterials undergo fracture under compressive loading. This paper applies a phase-field fracture model to study this fracture process. While phase-field fracture models have several advantages, they provide unphysical…

Over the long timescale of many charge/discharge cycles, gas formation can result in large bulging deformations of a Lithium-ion pouch cell, which is a key failure mechanism in batteries. Guided by recent experimental X-ray tomography data…

Soft Condensed Matter · Physics 2024-11-21 Andrea Giudici , Colin Please , Jon Chapman

An estimate of the effective toughness of heterogeneous materials is proposed based on the Phase Field Fracture model implemented in an FFT homogenization solver. The estimate is based on the simulation of the deformation of representative…

Materials Science · Physics 2025-08-12 Pedro Aranda , Javier Segurado

Wear is well known for causing material loss in a sliding interface. Available macroscopic approaches are bound to empirical fitting parameters, which range several orders of magnitude. Major advances in tribology have recently been…

Computational Engineering, Finance, and Science · Computer Science 2020-09-18 Sylvain Collet , Jean-François Molinari , Stella Brach

We investigate a continuum mechanical model for an adherent cell on two dimensional adhesive micropatterned substrates. The cell is modeled as an isotropic and homogeneous elastic material subject to uniform internal contractile stresses.…

Biological Physics · Physics 2013-12-30 Shiladitya Banerjee , Rastko Sknepnek , M. Cristina Marchetti

There is a need for numerical models capable of predicting local accumulation of hydrogen near stress concentrators and crack tips to prevent and mitigate hydrogen assisted fracture in steels. The experimental characterisation of trapping…

Applied Physics · Physics 2020-10-27 A. Díaz , A. Zafra , E. Martínez-Pañeda , J. M. Alegre , J. Belzunce , I. I. Cuesta

Calibrating and verifying crystal plasticity material models is a significant challenge, particularly for materials with a number of potential slip and twin systems. Here we use digital image correlation on coarse-grained $\alpha$-uranium…

Materials Science · Physics 2020-11-24 Nicolò Grilli , Philip Earp , Alan C. F. Cocks , James Marrow , Edmund Tarleton
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