纳米晶体热学性质的理论研究  

Study on the Thermal Properties of One-dimensional Nanocrystalline

作　　者：徐慧[1] 李新梅[1] 钟桂雄[1] 

机构地区：[1]中南大学物理科学与技术学院,湖南长沙410083

出　　处：《电子元件与材料》2002年第10期10-12,共3页Electronic Components And Materials

摘　　要：笔者建立了一维纳米随机链模型;应用点阵动力学的方法计算了一维纳米晶体的熵、热容以及振动自由能等,发现纳米晶体的熵比单晶的熵值高,这些结果可以用纳米晶体的特殊结构来解释。纳米晶体中大量不规则原子的存在是熵值增加的根本原因。所以,只要改变颗粒的大小(实际上也是改变了其中界面原子所占的百分数)将会改变它的熵值及其他的热学量。从微观结构与热学量的关系而言,它将有助于改善纳米晶体的性能。A one-dimensional random model of nanocrystalline was established. Its thermal properties were calculated by means of lattice dynamics. It has been found that the entropy and specific heat of nanocrystalline are higher than that of single crystal. This can be explained by the specific structure of nanocrystalline. There are many disorder atoms in grain boundary. This is the important reason why nanocrystalline possesses higher entropy. Therefore, it will be a variety of entropy and thermal properties so long as change the size of nanocrystalline, which means to change the percent of disorder atoms. It is helpful to improve the function of nanocrystalline.

关 键 词：纳米晶体 热学性质 点阵动力学 纳米材料 颗粒 

分 类 号：TB383[一般工业技术—材料科学与工程]