Jianjun CUI
,
Musen LI
,
Longwei YIN
,
Guiyi WAN
,
Zhaoyin HAO
材料科学技术（英文）
In this paper, crystal growth instability of diamond was studied in a Fe-Ni-C system at high temperature-high pressure (HPHT). As any other crystal grown from solution, the flat or smooth growth interface of the diamond crystal is highly sensitive to growth conditions. The growth front interface should be of great importance to understand the diamond growth process. The presence of cellular growth interface by transmission electron microscopy indicated that there existed a narrow constitutional supercooling zone in front of the growth interface. Several parallel layers with cellular interface by TEM directly suggested that the diamond grows from the solution of carbon in the molten catalyst layer by layer, which is in accordance with the result obtained by scanning electron microscopy in this paper. Impurities are trapped by rapidly advancing growth layers during the diamond growth and they impose a great effect on the growth front stability. As the growth front interface approaches the impurity particle to a distance of about 10-5~10-7 cm, appreciable molecular forces begin to operate between them, and the impurity particle is trapped as the growth rate reaches a critical value. As a result, the driving force for crystallization under the impurity particles becomes smaller, the front buckles under the particle. An impurity naturally reduces the growth rate to a different extent.
关键词:
HPHT diamond growth
,
null
,
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,
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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
