纳米一维单原子晶体的原子均方速度

应用格林函数理论,推导了纳米一维单原子晶体颗粒的原子均方速度公式。数值计算结果表明,在有限温度下微粒表面原子的均方速度比内部原子的要小,微粒内部各原子的均方速度近似相等。随着温度升高,表面原子的均方速度升高更快,在高温极限下所有原子的原子均方速度都相同,并与温度成正比。微粒尺寸对各原子的原子均方速度几乎没有影响,但随微粒尺寸的增加,微粒中所有原子的均方速度的平均值增加。

Mean-square Velocities of Atoms in One Dimensional Monatomic Nanoparticles

The formula of the mean-square velocities of atoms in one dimensional monatomic nanoparticles is deduced by means of Green's function. The numerical results show that when the temperature is finite, the mean-square velocities of surface atoms are smaller than those of inner atoms, the mean-square velocities of inner atoms are almost equal. The mean-square velocities of surface atoms increase more rapidly than those of inner atoms when temperature increases. At the high temperature limit, the mean-square velocities of all atoms are equal, and are directly proportional to temperature. The size of nanoparticle almost does not affect the mean-square velocities of all atoms, but the mean value of the mean-square velocities of all atoms increases when the size of nanoparticle increases.