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首页> 外文期刊>Philosophical Magazine Letters >Quartz amorphization: a dynamical instability
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Quartz amorphization: a dynamical instability

机译:石英非晶化:动态不稳定性

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摘要

The results of atomistic simulations based on the Born model of solids show that the crystalline-to-amorphous phase transition in a-quartz is the result of a dynamical instability. This work illustrates the potential of atomistic simulation to identify the atomic mechanisms for phase transformations. On applying high pressure to a-quartz, an acoustic vibrational mode became unstable, indicating supercell formation of size 3X3X1. Further increase in pressure resulted in the collapse of the crystalline structure to an amorphous solid displaying variations in bond length, bond angle and coordination number.
机译:基于固体的伯恩模型的原子模拟结果表明,a石英中晶体到非晶的相变是动态不稳定性的结果。这项工作说明了原子模拟识别相变原子机制的潜力。在对a石英施加高压时,声学振动模式变得不稳定,表明形成了3X3X1尺寸的超级单元。压力的进一步增加导致晶体结构塌陷成无定形固体,显示出键长,键角和配位数的变化。

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