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Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…

Materials Science · Physics 2015-06-23 Yingtian Yu , Bu Wang , Young Jea Lee , Mathieu Bauchy

We use large-scale simulations to investigate the dynamic fracture of silica and sodium-silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica glass is brittle whereas the glasses rich in Na show…

Disordered Systems and Neural Networks · Physics 2023-02-15 Zhen Zhang , Simona Ispas , Walter Kob

This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…

Materials Science · Physics 2024-07-22 Pengjie Shi , Zhiping Xu

The existence of nanoscale ductility during the fracture of silicate glasses remains controversial. Here, based on molecular dynamics simulations coupled with topological constraint theory, we show that nano-ductility arises from the…

Materials Science · Physics 2016-03-23 Bu Wang , Yingtian Yu , Mengyi Wang , John C. Mauro , Mathieu Bauchy

Extreme mechanical processes such as strong lattice distortion and bond breakage during fracture are ubiquitous in nature and engineering, which often lead to catastrophic failure of structures. However, understanding the nucleation and…

Materials Science · Physics 2024-07-23 Pengjie Shi , Zhiping Xu

The fracture energy of brittle materials rises with crack velocity, and this effect is typically attributed to surface roughening from path instabilities. Here we show, using molecular dynamics simulations of silica glass with a…

Amorphous silica ($a-SiO_2$) is a widely used inorganic material. Interestingly, the relationship between the local atomic structures of $a-SiO_2$ and their effects on ductility and fracture is seldom explored. Here, we combine large-scale…

Mesoscale and Nanoscale Physics · Physics 2023-04-17 Jiahao Liu , Jingjie Yeo

We compare the ability of various interaction potentials to predict the structural and mechanical properties of silica and sodium silicate glasses. While most structural quantities show a relatively mild dependence on the potential used,…

Disordered Systems and Neural Networks · Physics 2021-01-21 Zhen Zhang , Simona Ispas , Walter Kob

We have studied the low speed fracture regime for different glassy materials with variable but controlled length scales of heterogeneity in a carefully mastered surrounding atmosphere. By using optical and atomic force (AFM) microscopy…

Statistical Mechanics · Physics 2015-06-24 F. Celarie , S. Prades , D. Bonamy , A. Dickele , L. Ferrero , E. Bouchaud , C. Guillot , C. Marliere

In order to design tougher materials, it is crucial to understand the relationship between their composition and their resistance to fracture. To this end, we investigate the fracture toughness of usual sodium silicate glasses (NS) and…

Materials Science · Physics 2014-10-14 M. Bauchy , M. J. Abdolhosseini Qomi , C. Bichara , F. -J. Ulm , R. J. -M. Pellenq

Fracture toughness is a critical mechanical property of glasses, but a detailed understanding of its link to composition and structure is still missing. Here, focusing on the industrially important family of calcium aluminosilicate glasses,…

The widespread use of sodium aluminosilicate glass in many engineering applications due to its mechanical and optical properties (transparency, dielectric, etc.), has become common in recent years. However, glass, a brittle material, has…

Materials Science · Physics 2020-12-10 Benedict Egboiyi , Trisha Sain

We report in situ Atomic Force Microscopy experiments which reveal the presence of nanoscale damage cavities ahead of a stress-corrosion crack tip in glass. Their presence might explain the departure from linear elasticity observed in the…

Statistical Mechanics · Physics 2009-11-07 F. Celarie , S. Prades , D. Bonamy , L. Ferrero , E. Bouchaud , C. Guillot , C. Marliere

Being able to predict the failure of materials based on structural information is a fundamental issue with enormous practical and industrial relevance for the monitoring of devices and components. Thanks to recent advances in deep learning,…

Understanding the fracture toughness of glasses is of prime importance for science and technology. We study it here using extensive atomistic simulations in which the interaction potential, glass transition cooling rate and loading geometry…

Soft Condensed Matter · Physics 2022-01-11 David Richard , Edan Lerner , Eran Bouchbinder

The difference between free surface energy and fracture toughness in amorphous silica is studied via multi-scale simulations. We combine the homogenization of a molecular dynamics fracture model with a phase-field approach to track and…

Materials Science · Physics 2026-02-03 Gergely Molnár , Etienne Barthel

The fragile-to-strong glass transition is a fascinating phenomenon that still presents many theoretical and experimental challenges. A major one is how to tune the fragility of a glass-forming liquid. Here, we study a two-dimensional (2D)…

Superconductivity · Physics 2025-03-14 Ilaria Maccari , Lara Benfatto , Claudio Castellani , José Lorenzana , Cristiano De Michele

Understanding the fracture toughness (resistance) of glasses is a fundamental problem of prime theoretical and practical importance. Here we theoretically study its dependence on the loading rate, the age (history) of the glass and the…

Materials Science · Physics 2016-08-17 Manish Vasoya , Chris H. Rycroft , Eran Bouchbinder

Silicene, a 2D analogue of graphene, has spurred a tremendous research interest in the scientific community for its unique properties essential for next generation electronic devices. In this work, for the first time, we present a molecular…

Materials Science · Physics 2017-11-22 Tawfiqur Rakib , Sourav Saha , Mohammad Motalab , Satyajit Mojumder , Md Mahbubul Islam

Indentation has been widely used for investigating the mechanical behavior of glasses. However, how the various microscopic properties (such as atomic structure and mechanics) of glass evolve from the immediate contact with the indenter to…

Disordered Systems and Neural Networks · Physics 2023-05-09 Linfeng Ding , Ranran Lu , Lianjun Wang , Qiuju Zheng , John C. Mauro , Zhen Zhang
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