论文标题
在高压下固化玻璃形成的AL86NI2CO6GD6
Solidification of the Glass-Forming Al86Ni2Co6Gd6 Melt under High Pressure
论文作者
论文摘要
高压允许合成在正常条件下足够长的时间内保持完整的新亚稳态化合物。到目前为止,尚未完全理解压力,形成玻璃的能力和液体的固化如何相互连接。我们已经研究了玻璃形成的共晶合金AL86NI2CO6GD6的结构,该结构是通过在10 GPA压力下的温度为1800 K的熔体中获得的快速冷却。 X射线衍射分析和电子显微镜表明样品是均匀且致密的。结构分散了。在合金中形成了具有立方(CP4/2)和四方(TI26/1)结构的新型稳定的晶体相。研究表明,在10 GPA下获得的样品的平均微度比大气压下原始样品的平均微度比原始样品高2倍,约为1700 MPa。为了了解结果,我们使用了从头算分子动力学,并研究了熔体如何随压力而变化。结果表明,在1800 K的温度下,高压会增加熔体中的二十面体簇的浓度,因此在二十面膜内的10 GPA原子形成渗透簇,而在大气压力下则没有。因此,熔体的玻璃形成能力在高压下的增强强烈影响凝固过程。
High pressures allow the synthesis of new metastable compounds that remain intact for a sufficiently long time at normal conditions. Until now, it has not been fully understood how pressure, glass-forming ability and solidification of liquids are interconnected. We have investigated the structure of the glass-forming eutectic alloy Al86Ni2Co6Gd6 obtained by rapid cooling from the melt having a temperature of 1800 K under a pressure of 10 GPa. X-ray diffraction analysis and electron microscopy show that the samples are homogeneous and dense. The structure is finely dispersed. New stable crystalline phases with cubic (cP4/2) and tetragonal (tI26/1) structures are formed in the alloy. The studies have shown that the average microhardness of the samples obtained at 10 GPa is almost 2 times higher than that of the original sample at atmospheric pressure and is about 1700 MPa. To understand the results, we used ab initio molecular dynamics and studied how the melt changes with pressure. It is shown that at a temperature of 1800 K, high pressure increases the concentration of icosahedral clusters in the melt so that at 10 GPa atoms inside the icosahedra form a percolation cluster, while at atmospheric pressure they do not. Thus, the glass-forming ability of a melt increases at high pressure strongly influencing solidification processes.