Molecular dynamics studies of brittle failure in silica: effect of thermal vibrations

Ochoa, Romulo; Swiler, Thomas P.; Simmons, Joseph H.

doi:10.1016/0022-3093(91)90776-3

Cited by 51 publications

(24 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Consistent with the schematic given in Fig. 10 recent molecular dynamics studies [16] of brittle failure in silica also indicate that the point of sudden load-drop is extended to larger displacements and the toughness as evaluated by the area under load-displacement curve becomes larger with an increase in the strain rate.…”

Section: K(a D P) = Kc(t D)supporting

confidence: 69%

The effect of applied displacement rate on the observation of crack instability

Ebrahimi

1992

Int J Fract

View full text Add to dashboard Cite

This paper presents an analysis of the effect of displacement rate on the load-displacement behavior of strain-rate insensitive materials upon crack propagation. It is shown that if a crack is being loaded continuously during its propagation the point of crack instability does not correspond to a sudden load-drop and indeed the load may continue to increase. This phenomenon results in a higher absorbed energy to fracture during rapid loading.

show abstract

Section: K(a D P) = Kc(t D)supporting

confidence: 69%

The effect of applied displacement rate on the observation of crack instability

Ebrahimi

1992

Int J Fract

View full text Add to dashboard Cite

show abstract

“…However, additional issues arise in applying concurrent multi-scale simulations to failure in glasses. Numerous simulations [80][81][82][83][84][85] and experiments [86,87] indicate that failure occurs by formation and coalescence of voids of nano-scale or less. For instance, in examining sodium silicate glasses consisting of 1,000-2,000 atoms with free surfaces under both tension and compression, Soules and Busby [36] noticed that under biaxial expansion the sample failed via void formation and cavitation.…”

Section: Coupling Atomistic and Continuum Representationsmentioning

confidence: 97%

“…Keiffer and Angell [88] noticed a self-similar void structure in silica glass when the material was subjected to sudden isotropic expansion. Ochoa et al [81][82][83] and Swiler et al [84] examined the structure of a-SiO 2 as a function of uniaxial strain-rate. They noticed the formation and coalescence of sub-nano-scale voids with increasing strain, accompanied by nontrivial plastic deformation in the form of bond-rupture and atomic rearrangement.…”

Section: Coupling Atomistic and Continuum Representationsmentioning

confidence: 99%

A Perspective on Multi-scale Simulation: Toward Understanding Water-silica

Trickey

Yip

Cheng

et al. 2006

J Computer-Aided Mater Des

View full text Add to dashboard Cite

We discuss the conceptual and practical developments that evolved over the past sevenplus years as our multi-disciplinary team took on the challenge of understanding a single complex system -water and silica -through multi-scale modeling and simulation. The discussion provides the context for the ten contributions, from various groupings of the team, that make up this coordinated special issue. In the evolution of our project, we have come to appreciate the need for a framework that essentially defines the intellectual basis of computational science. We have found that the usual utilitarian notion of simulation is lacking a conceptual counterpart: by itself, it does not address the scientific challenge of analyzing complex phenomena, such as chemo-mechanical processes, across various length scales. The problem of water and silica is prototypical with regard to many complex systems of current interest. In them, the effects of chemical activity and dynamical stress are involved simultaneously and essentially. This essential dependence presents opportunities for a multi-scale strategy that combines quantum and classical methods of simulation. As often is the case with "obvious" approaches, one encounters many subtle aspects. We summarize the issues we have encountered, thus laying the ground work for the detailed topical papers that follow.

show abstract

“…Soules and Busbey 4) reported that Na2O·3SiO2 glass flowed and broke by forming cavities under biaxial compression. Ochoa et al, 5) reported that SiO2 glass fractured only by breakage of Si-O bond at higher strain rate and by rearrangement of ions accompanied with rotation of SiO4 tetrahedra at lower strain rate. We also investigated the elastic and inelastic deformation of a soda-limesilica glass under tension and compression less than 4 GPa before fracture by MD simulation, 6), 7) and confirmed that the simulated bulk and Young's modulus were close to the observed ones, and found that glass deformed by flow under tension and by both flow and densification under compression, besides showing elastic deformation.…”

Section: Introductionmentioning

confidence: 99%

Deformation and fracture of soda-lime-silica glass under tension by molecular dynamics simulation

Taniguchi

Ito

2008

J. Ceram. Soc. Japan

View full text Add to dashboard Cite

The deformation and fracture of a soda-lime-silica glass were investigated under tension by molecular dynamics simulation. The process of the deformation consisted of elastic deformation, flow, and expansion accompanied with flow in the order before the glass fractured. The main structural change on each deformation was the expansion of Si-O-(Al, Si) angle, change of network rings, and growth of cavity. The cavities were generated in the region where non-bridging oxygen ions clustered and grew up in the region where Ca ions clustered in addition to the clustered non-bridging oxygen ions. The fracture time became shorter and the fracture strain and volume decreased with increasing tension.

show abstract

Molecular dynamics studies of brittle failure in silica: effect of thermal vibrations

Cited by 51 publications

References 17 publications

The effect of applied displacement rate on the observation of crack instability

The effect of applied displacement rate on the observation of crack instability

A Perspective on Multi-scale Simulation: Toward Understanding Water-silica

Deformation and fracture of soda-lime-silica glass under tension by molecular dynamics simulation

Contact Info

Product

Resources

About