Crystallization of amorphous silica under compression
| Autor: | Nguyen Thu Nhan, Nguyen Van Hong, Toshiaki Iitaka, G.T.T. Trang |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Physics
Structural phase General Physics and Astronomy 02 engineering and technology 010502 geochemistry & geophysics 021001 nanoscience & nanotechnology Compression (physics) 01 natural sciences law.invention Molecular dynamics Transformation (function) Chemical engineering law High pressure Amorphous silica Crystallization 0210 nano-technology 0105 earth and related environmental sciences |
| Zdroj: | Canadian Journal of Physics. 97:1133-1139 |
| ISSN: | 1208-6045 0008-4204 |
| DOI: | 10.1139/cjp-2018-0432 |
| Popis: | The structural phase transformation and crystallization of amorphous silica at 500 K under high pressure are investigated by molecular dynamics simulation. Under compression, there is a structural transformation from tetrahedral- to octahedral-network via SiO5 units. Structural transformation occurs strongly in the 5–15 GPa pressure range and there exist three structural phases corresponding to SiO4, SiO5, and SiO6. Beyond 15 GPa, octahedral-network is dominant. At pressure higher than 20 GPa, octahedral network tends to transform to crystalline phase (stishovite). Mechanism of structural transformation is clarified via coordination-number, bond-angle distributions, bond length distribution, and 3D visualization. The size-distribution of phase regions is also determined in this work. |
| Databáze: | OpenAIRE |
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