摘要
纳米尺寸 Ti Ni,Zr Ni合金的理论研究表明 ,这些合金以 Ti- Ni,Zr- Ni金属对为基元堆积而成 .(Ti Ni) n,(Zr Ni) n 团簇结构与有机多烯分子等瓣相似 ,无论是链式结构或环式结构 ,都出现明显的强弱键交替的定域键 ,与一般合金团簇中离域键占主导作用相差甚远 ,这可能也是形状记忆功能的原因 .
A theoretical study of quantum chemistry was carried out for structures of nano size alloy Ti Ni, Zr Ni. Results show that these alloy are made of Ti Ni, Zr Ni metal atom pairs. The structures of cluster (TiNi) n, (ZrNi) n bear isolobel analogy alkenes for both chain like and ring like. They appear clearly localized bonds that are strong and weak alternately. It is completely different from general alloys, where metallic bonds are mainly delocalized. The special characters of week strong alternant bonds may be the origin of shape memory function.
出处
《厦门大学学报（自然科学版）》
CAS
CSCD
北大核心
2001年第2期381-386,共6页
Journal of Xiamen University：Natural Science
基金
国家自然科学基金资助项目!(2 9892 16 6
2 99830 0 1
2 980 30 0 6 )
