Molecular dynamics studies of brittle fracture in vitreous silica: Review and recent progress

The dynamics of brittle fracture in vitreous silica has been a subject of many molecular dynamics (MD) simulations and experiments. A striking similarity between both simulations and experiments is the observation of nanoscale voids that eventually coalesce leading to failure. In this work, we revie...

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Bibliographic Details
Published inJournal of non-crystalline solids Vol. 351; no. 18; pp. 1532 - 1542
Main Authors Muralidharan, Krishna, Simmons, J.H., Deymier, P.A., Runge, K.
Format Journal Article Conference Proceeding
LanguageEnglish
Published Amsterdam Elsevier B.V 15.06.2005
Elsevier
Subjects
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Fatigue, brittleness, fracture, and cracks
Mechanical and acoustical properties of condensed matter
Mechanical properties of solids
Physics
F200
S160
M290
Nanometer scale
Inorganic compounds
Brittle fracture
Molecular dynamics method
Glass
Cavitation
Silica
Fracture mode
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Summary:The dynamics of brittle fracture in vitreous silica has been a subject of many molecular dynamics (MD) simulations and experiments. A striking similarity between both simulations and experiments is the observation of nanoscale voids that eventually coalesce leading to failure. In this work, we review the above MD simulations and carry out further MD investigations using two variations of classical 2-body potentials. We study the effect of charge-transfer, an important aspect neglected by previous simulations. Further, we examine the growth of ‘critical’ voids and characterize regions surrounding the voids.
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ISSN:0022-3093
1873-4812
DOI:10.1016/j.jnoncrysol.2005.03.026