摘要
报道了计算机组建的非晶氮化硅纳米粒子的连续无规网络模型.较好的一种外貌接近球形,原子数320.给出了这一模型的键长、键角、二面角、环和径向分布函数的统计结果,并把径向分布函数与X射线衍射结果进行了比较.文章证明计算机组建的连续无规网络模型适于描述理想的非晶氮化硅纳米粒子.
Abstract Computer generated continuous random networks of amorphous silicon nitride nanoparticles are reported. The better one consists of 320 atoms and has a spherical shape.Statistical results of bond length, bond angle, ring, and radial distribution function are given, and the RDFs have been compared with the experimental results. These show that the computer generated CRNs are suitable to describe ideal amorphous Si3N4 nanoparticles.