Longwei YIN
,
Musen LI
,
Dongsheng SUN
,
Fengzhao LI
,
Zhaoyin HAO
,
Xiumei DONG
材料科学技术（英文）
Some dislocations, which are generated in the diamond single crystal during the diamond crystal growth from Fe-Ni-C system, may affect diamond crystal growth mode at high temperature-high pressure (HPHT). The concentric dislocation loops were successfully examined by Moiré images. The surface morphologies of growing and as-grown diamond single crystals were observed by scanning electron microscopy (SEM). The concentric dislocation loops formation process and their effect on the diamond crystal growth mode were analyzed. It should be noted that whatever the nature of the dislocation is, should the Burgers vector of dislocation has a component at the direction normal to the growth interface, the dislocation will make the face parallel to the growth interface grow into spiral face. The presence of consecutive spiral steps on the diamond crystal surface also provides a direct evidence of the dislocation mechanism of diamond crystal growth.
关键词:
High temperature-high pressure
,
null
,
null
,
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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
