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Growth Mechanism of a Long-Range Ordered Quasicrystal in Molecular Dynamics Simulations
Journal of the Physical Society of Japan ( IF 1.5 ) Pub Date : 2021-03-19 , DOI: 10.7566/jpsj.90.044603
Keisuke Ida 1 , Keiichi Edagawa 1
Affiliation  

The mechanism of a quasicrystal (QC) growth, that is, the mechanism by which long-range quasicrystalline order (LRQO) is generated via growth, is investigated using Engel’s model and molecular dynamics simulations. At high temperatures, LRQO is generated, while at low temperatures it is not. During growth at high temperatures, the QC structure near the growth front is highly phason-disordered, and subsequently, in the bulk, this undergoes phason relaxation. Here, phason relaxation is fast, hence phason fluctuation does not increase with QC growth, resulting in the LRQO formation. Phason relaxation times previously evaluated experimentally for QC alloys suggest that similar mechanism should work in the growth of real QC alloys. Such mechanisms involving phason relaxation have rarely been considered in previous growth models of QC alloys.

中文翻译:

分子动力学模拟中长程有序准晶体的生长机理

使用恩格尔(Engel)模型和分子动力学模拟研究了准晶体(QC)生长的机制,即通过生长生成长距离准晶体有序(LRQO)的机制。在高温下会生成LRQO,而在低温下则不会生成。在高温下生长期间,生长前沿附近的QC结构会发生严重的相位失调,随后,整体上会发生相位松弛。在这里,相声松弛很快,因此相声波动不会随着QC的增长而增加,从而导致LRQO的形成。先前对QC合金进行实验评估的Phason弛豫时间表明,类似的机制应该在真正的QC合金的生长中起作用。在先前的QC合金生长模型中很少考虑到这种涉及相控弛豫的机制。
更新日期:2021-03-19
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