金属纳米微粒结合能与熔化温度的计算

The Calculation of Cohesive Energy and Melting Temperature of Metallic Nanoparticles

通过引入描述纳米微粒形状效应的形状因子 ,建立了金属纳米微粒尺寸形状效应的结合能函数与熔化温度函数。并根据上述函数得出了金属晶体纳米微粒存在的最小临界尺寸表达式与最低熔化温度表达式。利用上述关系式对金属纳米微粒进行了理论预测 ,并将预测结果与实验值进行了比较。

By introducing a shape factor,the functions on cohesive e nergy and melting temperature are developed which can describe the e ffect of size and shape of metalli c nanoparticles.It is predicted th at there exist minimum critical si ze and lowest melting temperature for metallic nanoparticle.The pres ent experimental values of metalli c nanoparticles are consistent wit h the corresponding theoretical re sults.