Dynamic Fracture Mechanisms in Nanostructured and Amorphous Silica Glasses Million-Atom Molecular Dynamics Simulations

Brutzel, L. Van; Rountree, Cindy; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

doi:10.1557/proc-703-v3.9

Cited by 26 publications

(39 citation statements)

References 8 publications

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“…2 is advanced to À45 Å. The results are similar to those of SiO 2 MD simulations by Brutzel et al [26] and Muralidharan et al [27]. And the branching crack nucleated in the front of main crack is also observed, it may be contributed by interaction between water and SiO 2 .…”

Section: Analysis Of Molecular Dynamics Simulationsupporting

confidence: 86%

Effect of water on brittle fracture of SiO2 by molecular dynamics study

Tang

2009

Computational Materials Science

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a b s t r a c tThe influence of water on the brittle behavior of b-cristobalite is studied by means of molecular dynamics (MD) simulation with the TTAM potential. Crack extension of mode I type is observed as the crack opening is filled up with water. The critical stress intensity factor K MD Ic is used to characterize the crack extension of MD simulation. The surface energy of SiO 2 covered with layers of water is calculated at temperature of 300 K. Based on the Griffith fracture criterion, the critical stress intensity factor K Griffith Ic is calculated, and it is in good agreement with that of MD simulation.

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Section: Analysis Of Molecular Dynamics Simulationsupporting

confidence: 86%

Effect of water on brittle fracture of SiO2 by molecular dynamics study

Tang

2009

Computational Materials Science

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“…The origin of the nucleation of cavities should be found more likely in the amorphous structure, which contains inherent atomic density fluctuations at the nanometer scale. Such a scenario was indeed predicted by Molecular Dynamics Simulation [27,28,29,30] that evidenced atomic density fluctuations in the structure of simulated amorphous silica : The Si and O atoms are shown to form silica tetrahedra connected together to build rings of different sizes ranging from 3 to 9 tetrahedra. At larger length scales, ranging from 1.5 nm to 6 nm, the density of these rings is found to fluctuate with high density areas surrounded by low density areas.…”

Section: Discussionmentioning

confidence: 64%

“…At larger length scales, ranging from 1.5 nm to 6 nm, the density of these rings is found to fluctuate with high density areas surrounded by low density areas. Moreover, the Molecular Dynamics simulations of van Brutzel [28,29,30] show that, at this length scale, crack propagates by growth and coalescence of small cavities which appear in areas with low density of rings, ahead of the crack tip. They behave as stress concentrators and grow under the stress imposed by the presence of the main crack to give birth to the cavities actually observed in the AFM frames.…”

Section: Discussionmentioning

confidence: 99%

Crack fronts and damage in glass at the nanometre scale

Marlière

Prades²,

Célarié³

et al. 2003

J. Phys.: Condens. Matter

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Abstract. 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 microscopy (AFM) techniques we tracked in real-time the crack tip propagation at the nanometer scale on a wide velocity range (10 −3 − 10 −12 m/s and below). The influence of the heterogeneities on this velocity is presented and discussed. Our experiments reveal also -for the first time -that the crack progresses through nucleation, growth and coalescence of nanometric damage cavities within the amorphous phase. This may explain the large fluctuations observed in the crack tip velocities for the smallest values. This behaviour is very similar to what is involved, at the micrometric scale, in ductile fracture. The only difference is very likely due to the related length scales (nanometric instead of micrometric). Consequences of such a nano-ductile fracture mode observed at a temperature far below the glass transition temperature, T g , in glass is finally discussed.

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“…atoms in the material lack translational and/or rotational symmetry) as opposed to crystalline counterparts. Figure 7 displays a sectional view from a 3D molecular dynamics simulation of a pure amorphous silica system [43,[78][79][80][81][82][83]. In the context of the short range structural order, one silicon atom resides in the center of the tetrahedron structure with four oxygen atoms located at the corners of the tetrahedron.…”

Section: The Structure Of Oxide Glassesmentioning

confidence: 99%

“…These rings correspond to the mid-range order of SiO 2 glasses. A ring is the shortest path connecting a Si atom back to itself via Si O bonds [81,84,85]. The nomenclature for the ring size depends on the number of Si atoms in the ring.…”

Section: The Structure Of Oxide Glassesmentioning

confidence: 99%

Recent progress to understand stress corrosion cracking in sodium borosilicate glasses: linking the chemical composition to structural, physical and fracture properties

Rountree¹

2017

J. Phys. D: Appl. Phys.

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HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Recent IntroductionOxide glasses are among the oldest industrial materials known to man, and they are widely used due to their advantageous properties: transparency, low thermal expansion, high melting point temperature, relative inertness, etc. Yet, oxide glasses are not without significant shortcomings. In par ticular, they remain inherently brittle, despite significant scientific ingenuity to overcome this drawback. Moreover, they undergo abrupt catastrophic failure. Frequently, post-mortem failure studies reveal material flaws which were propagating via stress corrosion cracking. Understanding and predicting the growth of such flaws under sub-critical crack propagation remains a hurdle for scientists. Furthermore, how the basic glass network (i.e. the interconnect of the glass structure) dictates the physical, mechanical and stress corrosion cracking AbstractThis topical review is dedicated to understanding stress corrosion cracking in oxide glasses and specifically the SiO 2 B 2 O 3 Na 2 O (SBN) ternary glass systems. Many review papers already exist on the topic of stress corrosion cracking in complex oxide glasses or overly simplified glasses (pure silica). These papers look at how systematically controlling environmental factors (pH, temperature...) alter stress corrosion cracking, while maintaining the same type of glass sample. Many questions still exist, including: What sets the environmental limit? What sets the velocity versus stress intensity factor in the slow stress corrosion regime (Region I)? Can researchers optimize these two effects to enhance a glass' resistance to failure? To help answer these questions, this review takes a different approach. It looks at how systemically controlling the glass' chemical composition alters the structure and physical properties. These changes are then compared and contrasted to the fracture toughness and the stress corrosion cracking properties. By taking this holistic approach, researchers can begin to understand the controlling factors in stress corrosion cracking and how to optimize glasses via the initial chemical composition.

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Dynamic Fracture Mechanisms in Nanostructured and Amorphous Silica Glasses Million-Atom Molecular Dynamics Simulations

Cited by 26 publications

References 8 publications

Effect of water on brittle fracture of SiO2 by molecular dynamics study

Effect of water on brittle fracture of SiO2 by molecular dynamics study

Crack fronts and damage in glass at the nanometre scale

Recent progress to understand stress corrosion cracking in sodium borosilicate glasses: linking the chemical composition to structural, physical and fracture properties

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