分子動力学法によるFeとCuの非晶質の作製

概要

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Molecular dynamic simulations were carried out to study the making amorphouses using rapid cooling of liquids of single component atomic systems (Cu and Fe) under the constant pressure condition. The solids made through the quenching process were amorphouses because they showed almost the same relations between the temperature and the volume, the temperature and the enthalpy as the relation in the real amorphous, disordered three dimensional atomic structures like the liquid one, the same distribution of the radial distribution function as that of the real amorphous, and many Voronoi polyhedons which contain more than 5 pentagonal planes, when the quenching rate was more than 10^<14>K/second. The value of the volume and the enthalpy per atom increased a little as the quenching rate became faster(10^<14> to 10^<15>K/second). The solids were crystals when the quenching rate was less than 10^<13>K/second.
宇部工業高等専門学校の論文