论文标题
稀释的Ti-Fe合金中的罕见聚类
Uncommon clustering in dilute Ti-Fe alloys
论文作者
论文摘要
我们介绍了稀释Ti-Fe结构的AB始于基于淬灭Ti的过渡金属合金的典型代表的结果。我们已经证明，超出溶解度限制了该合金不能以替代和间质合金的共同术语来描述。取而代之的是，在低温HCP和合金的高温BCC阶段都形成了非常稳定的局部簇，具有几乎相同的局部结构。这给出了一个几何沮丧状态的例子，并解释了很久以前为该系统发现的莫斯鲍尔光谱的异常集中行为。
We present the results of ab initio modeling of structure of dilute Ti-Fe, a typical representative of quenched Ti-based transition-metal alloys. We have demonstrated that beyond the solubility limit this alloy cannot be described in common terms of substitutional and interstitial alloys. Instead, very stable local clusters are formed in both low-temperature hcp and high-temperature bcc phases of alloys, with almost identical local structures. This gives an example of geometrically frustrated state and explains unusual concentration behavior of Mössbauer spectra discovered long ago for this system.
