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Formation of twins in sapphire under shock wave loading: Atomistic simulations
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10.1063/1.3681321
/content/aip/journal/jap/111/3/10.1063/1.3681321
http://aip.metastore.ingenta.com/content/aip/journal/jap/111/3/10.1063/1.3681321
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Scheme of the MD simulation box used for study of shock-wave propagation.

Image of FIG. 2.
FIG. 2.

(Color online) Shock velocity dependence on the particle velocity. MD: 1 - -cut, 2 - -cut, 3 - -cut. Experiment: 4 - approximation of experimental results (Ref. 3).

Image of FIG. 3.
FIG. 3.

(Color online) Sequential snapshots of shock-wave propagation along direction. Only oxygen ions are shown with the coordination number CN 12. Initial temperature  = 300 K. Impactor velocity  = 8 km/s. Total number of ions  = 4.5 × 106 s.

Image of FIG. 4.
FIG. 4.

(Color online) Sequential snapshots of shock wave propagation along direction. Only oxygen sublattice is shown with coordination number of oxygen ions CN 12. Initial temperature  = 300 K. Impactor velocity = 7 km/s. Total number of ions  =24 × 106 s.

Image of FIG. 5.
FIG. 5.

(Color online) plot with the positions of shock wave front and defects behind it during shock loading of single crystal with microcrack. The impact conditions correspond to Fig. 4.

Image of FIG. 6.
FIG. 6.

(Color online) Two stage process of twins formation under shock-wave loading. I stage is the formation of a linear defect on the shock wave front starting from the surface of microcrack. II stage is twins formation from linear defects.

Image of FIG. 7.
FIG. 7.

(Color online) Equilibrium structure of defect-free crystal and a new linear defect. The arrows show the displacement of oxygen ions, which results in structure transition.

Image of FIG. 8.
FIG. 8.

(Color online) Equilibrium structure of linear defect and rhombohedral twin. The arrows show the displacement of oxygen ions, which results in structure transition.

Image of FIG. 9.
FIG. 9.

(Color online) Energy of the linear defect (a) and rhombohedral twin (b). The dashed line divides the boundary of stable configurations of linear defect.

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/content/aip/journal/jap/111/3/10.1063/1.3681321
2012-02-08
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Formation of twins in sapphire under shock wave loading: Atomistic simulations
http://aip.metastore.ingenta.com/content/aip/journal/jap/111/3/10.1063/1.3681321
10.1063/1.3681321
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