Chaplot, S. L. ; Sikka, S. K. (2000) Molecular-dynamics simulation of shock-stress-induced amorphization of α-quartz Physical Review B: Condensed Matter and Materials Physics, 61 (17). pp. 11205-11208. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v61/i17/p11205_1
Related URL: http://dx.doi.org/10.1103/PhysRevB.61.11205
Abstract
The molecular-dynamics technique is used to investigate the shock propagation in α-quartz using a very long periodic macrocell, and semiempirical long-range Coulomb and short-range interatomic potentials. The equation of state and the phase transformation pressure are in good agreement with published experimental data. The transformed phase is identified to be amorphous, and not as stishovite, and is retained on release of the shock pressure. The Raman A1 phonon frequency is also simulated successfully which is known to show a significantly different variation with static and shock pressures.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 67846 |
| Deposited On: | 31 Oct 2011 14:05 |
| Last Modified: | 31 Oct 2011 14:05 |
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