Transformations in the Medium-Range Order of Fused Silica under High Pressure

Dávila, Lílian P.; Caturla, M.J.; Kubota, Alison; Sadigh, Babak; Rubia, T. Dı́az de la; Shackelford, James F.; Risbud, Subhash H.; Garofalini, Stephen H.

doi:10.1103/physrevlett.91.205501

Cited by 57 publications

(68 citation statements)

References 28 publications

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“…This loading method is comparable to techniques used in the study of amorphous silica NWs, 9 metallic NWs, 32 and bulk silica glass. 20 C. Silica nanowire: Size-effects and structural analysis…”

Section: B Silica Nanowire Tensile Simulationmentioning

confidence: 99%

“…Using molecular dynamics (MD) simulations, investigators successfully reproduced the anomalous equation of state (pressure-volume) of bulk silica glass obtained under compression experiments, while the key mechanism responsible for this behavior was found to be the variation in ring size distributions. 20 This distinct structural parameter allows differentiation of silica glass from other amorphous materials. More recent MD results have revealed that the differences in the ring size distributions in the bulk and silica glass NWs are likely due to differences in densities.…”

Section: Introductionmentioning

confidence: 99%

“…In addition to ring size distribution variations, bulk silica glass also exhibits unique bond angle distributions, as has been previously described in related work. 10,20 When a silica glass NW is carved out of a simulated bulk silica glass structure, the surface area-to-volume ratio dramatically increases, representing a typical structural characteristic of silica nanowires. A recent study 10 has shown that surface states significantly modify the mechanical properties of silica nanowires.…”

Section: Introductionmentioning

confidence: 99%

“…19,21 High pressure or deformations can modify the structure of bulk silica and broaden this distribution as reported earlier. 20,21 Most interestingly, the changes revealed by the ring size distribution are known to characterize the "medium-range order" nature of amorphous materials. 22,23 Independent experiments on compressed bulk silica glass 24,25 have shown an enhancement of Raman lines associated with a)…”

Section: Introductionmentioning

confidence: 99%

“…As a typical disordered material, the response of bulk silica glass to mechanical loading has been demonstrated to be different from that of crystalline polymorphs both experimentally and theoretically. [15][16][17][18][19][20] Previous simulations have correlated the elastic-to-plastic mechanical response of bulk silica glass with structural transformations determined via ring size analysis, where ring size, n, is the shortest loop formed by n Si-O bonds. 19,20 The ring size distribution of bulk silica has been shown to have an average ring size of six (n ¼ 6) and the number of rings smaller and larger than this average drops off rapidly.…”

Section: Introductionmentioning

confidence: 99%

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Size dependence of elastic mechanical properties of nanocrystalline aluminum

Dávila

2017

Materials Science and Engineering: A

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Shape memory effects and pseudoelasticity in bcc metallic nanowires J. Appl. Phys. 108, 113531 (2010) This study investigates the structural transformations and properties of silica glass nanowires under tensile loading via molecular dynamics simulations using the BKS (Beest-Kramer-Santen) interatomic potential. Surface states of the elongated nanowires were quantified using radial density distributions, while structural transformations were evaluated via ring size distribution analysis. The radial density distributions indicate that the surface states of these silica nanowires are significantly different than those of their interior. Ring size analysis shows that the ring size distributions remain mainly unchanged within the elastic region during tensile deformation, however they vary drastically beyond the onset of plastic behavior and reach plateaus when the nanowires break. The silica nanowires undergo structural changes which correlate with strain energy and ring size distribution variations. It is also found that the ring size distribution (and strain energy) variations are dependent on the diameter of the silica nanowires. Interestingly, for ultrathin nanowires (diameters < 5 .0 nm), the variation of ring size distributions shows a distinct trend with respect to tensile strain, indicating that the surface states play a key role in both modifying the mechanical properties and structural characteristics. These results for ultrathin nanowires are consistent with prior theoretical and simulation predictions. The overall findings in this study provide key insights into the novel properties of nano-sized amorphous materials, and are aimed to inspire further experiments. V C 2015 AIP Publishing LLC.

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Section: B Silica Nanowire Tensile Simulationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Size dependence of elastic mechanical properties of nanocrystalline aluminum

Dávila

2017

Materials Science and Engineering: A

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Modelling Networks in Varying Dimensions

Wilson

2015

Molecular Dynamics Simulations of Disordered Materials

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Investigation on the complex interaction between particle and substrate in mechanical polishing of silica glass

Han

2015

Int J Adv Manuf Technol

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Machining technology about silicate glass has been developed very fast over recent years due to the growing industrial demand of higher machining accuracy and better surface quality of optical elements while the nature of hard and brittle materials makes it difficult to acquire damage-free and ultrasmooth surface. Molecular dynamics method (MD) provides a promising approach for constructing an efficient model to describe the tool-workpiece interaction, serves as a predicting simulation tool in analyzing the complicated surface generation mechanism, and is employed in this research to study the mechanical polishing of glass and surface integrity. The results show that some particles change the substrate surface morphology by means of elastic/plastic deformation and finally being left at the top of a polished surface, and it is difficult to be removed because of the strong adhesion force. Three stages are involved in the particle adhesion process: firstly, molecular interaction force dominated the approaching stage but not contact stage; secondly, the adhesion and the resistance of deformation will gradually occupy a dominant position upon the interface adsorption and bulk deformation; and the contact area is gradually stabilized and the body deflection begins to increase and the relative stable structure is generated. A different dynamic trajectory is observed with the increasing of impacting speed and abrasive particle abruptly jumping to another point although the joint has already been generated in the initial stage.

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Transformations in the Medium-Range Order of Fused Silica under High Pressure

Cited by 57 publications

References 28 publications

Size dependence of elastic mechanical properties of nanocrystalline aluminum

Size dependence of elastic mechanical properties of nanocrystalline aluminum

Modelling Networks in Varying Dimensions

Investigation on the complex interaction between particle and substrate in mechanical polishing of silica glass

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