一维单原子纳米颗粒晶格振动性质的理论研究

Theoretical Study on Property of Lattice Vibration of One Dimensional Monatomic Nanoparticles

根据一维单原子纳米颗粒晶格振动量子化的结论 ,推导了一维单原子纳米颗粒晶格振动的内能、比热、原子均方位移和原子均方速度公式 ,并进行了数值计算。数值计算结果表明 ,单位质量的一维单原子纳米颗粒的晶格振动内能与比热随纳米颗粒尺寸的增加而增加 ,一维单原子纳米颗粒的表面原子的均方位移大于内部原子的均方位移 。

On the basis of the results of quantizations of lattice vibrations in one dimensional monatomic nanoparticles,formulas for the energy and specific heat of lattice vibrations,atomic mena square displacement and atomic mean square velocity are deduced,and numerical calculations are carried out.It is found that energy and specific heat of lattice vibrations of one dimensional monatomic nanoparticle increase when the size of nanoparticle increase.It is also found that the mean square displacements of the inner atoms are larger than those of the surface atoms,but the mean square velocities of the inner atoms are smaller than those of the surface atoms.