佟媛媛
,
华勤
上海金属
doi:10.3969/j.issn.1001-7208.2010.03.011
运用热分析技术研究了冷却曲线特征值与319铝合金中化学成分之间的关系,并进行回归分析.结果表明,在不考虑工艺因素的情况下,试样的硅含量与α-Al枝晶生长回升温度TαDENG之间的相关性最大,相关系数r为-0.65,以硅含量可预测α-Al枝晶生长回升温度.在浇注过程中,冷却速度与α-Al枝晶生长回升温度TαDENG密切相关,相关系数为r=-0.72.在相同的冷却条件下,铝合金的浇注温度和浇注量对冷却速度有明显的影响,因此,可以通过调整浇注温度和浇注量,控制铝合金的冷却速度,进而也可预测铝合金中α-Al枝晶生长回升温度TαDENG.
关键词:
319铝合金
,
热分析
,
特征值
,
浇注工艺
庄厚龙
,
彭平
,
周惦武
,
刘金水
稀有金属材料与工程
采用第一原理赝势平面波方法--CASTEP程序计算了4种B2型Y基金属间化合物YX(X=Ag,Cu,In,Rh)的部分弹性性质,计算结果与文献报道值基本一致.通过Pugh定律、Cauchy压力和泊松比等经验判据,分析并预测了它们的脆性/延性,其延性高低次序为:YRh＞YAg＞YCu＞YIn.电子结构分析表明:这4种金属间化合物良好的延性源于其较强的金属键,而不同程度的Y(d)-X(p)电子杂化则导致了其延性的差异.YIn中因In的p电子较多,杂化程度高,共价键方向性强,因而延展性最低,而YRh则由于存在Y(d)-Rh(d)电子间强的相互作用,增强了其金属键作用,因而延性最好.
关键词:
Y基金属间化合物
,
脆性/延性
,
第一原理
,
电子结构
Journal of Applied Physics
Motivated by the recent experimental fabrication of half-metallic MnSb and CrSb thin films with metastable zinc-blende structure [Aldous et al. Phys. Rev. B 85, 060403(R) (2012); Deng et al. J. Appl. Phys. 99, 093902 (2006)], we investigate the structural, electronic, and magnetic properties of TiSb in both ground-state NiAs and metastable zinc-blende phases by using the first-principles calculations. It is shown that the ground-state NiAs phase is metallic and nonmagnetic, but the metastable zinc-blende phase exhibits half-metallic ferromagnetism with a magnetic moment of 1.00 mu(B) per formula unit. We also reveal that the half-metallicity in bulk ZB TiSb is lost at the Sb-terminated (001) surface due to the appearance of surface states within the gap of the minority-spin channel, but the Ti-terminated (001) surface retains the bulk half-metallicity, which makes ZB TiSb a promising candidate for the possible epitaxial growth of half-metallic thin films or multilayers on semiconductor substrates for spintronic applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739744]
关键词:
room-temperature ferromagnetism;molecular-beam epitaxy;crsb;cras;spintronics;state;mnas
