摘 要：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‚而表面原 子的均方速度小于内部原子的均方速度。 

关键词：纳米颗粒；晶格振动；原子均方位移；原子均方速度；比热

Abstract：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 dimen sional monatomic nanoparticle increase when the size of nanoparticle increase．It is also found that the mean-square dis placements of the inner atoms are larger than those of the sur face atoms‚but the mean-square velocities of the inner atoms are smaller than those of the surface atoms． 

Keywords： nanoparticle；lattice vibration；atomic mean-square displacement；atomic mean-square velocity；specific heat