尺寸效应对Al纳米线凝固行为的影响  

Size effect on the freezing behavior of aluminum nanowires

作　　者：周国荣[1,2] 滕新营[1] 王艳[1] 耿浩然[1] 许甫宁 

机构地区：[1]济南大学,建筑材料制备与测试技术山东省重点实验室,济南250022 [2]国立庆尚大学 纳米与先进材料工程学院i-Cube中心,晋州660-701,韩国

出　　处：《物理学报》2012年第6期383-390,共8页Acta Physica Sinica

基　　金：山东省优秀中青年科学家科研奖励基金(批准号:BS2011CL004);山东省重点学科(实验室)基金项目资助的课题~~

摘　　要：结合EAM镶嵌原子作用势,通过经典的分子动力学模拟研究了不同截面尺寸A1纳米线在两种冷却速率下的凝固行为,并采用键对分析技术探讨了相变过程中原子团簇的演化情况.结果表明:A1纳米线的最终结构不仅与冷却速率有关,还呈现出明显的尺寸效应.在较快的冷却速率下,五种截面尺寸的A1纳米线均得到了多壳螺旋结构;而当冷却速率降低以后,除了N_3纳米线发生了断裂以外,其余纳米线的结构随着截面尺寸的增加,逐渐从多壳螺旋结构经由类-六边形多壳结构最终过渡到稳定的晶态结构.The freezing behaviors of Al nanowires with different section sizes and cooling rates are studied by using the classic molecular dynamics simulation via embedded atom potentials.In order to invesligate the evolution of the local clusters in the transformation of Al nanowires,the pair analysis technique is employed.The simulation results indicate that the final structure of Al nanowires is strongly affected not only by cooling rate,but also by the size effect during solidification from liquid.At a rapid cooling rate,the final structures are all helical multi-shelled structures.However,at a slower cooling rate,the structure changes from helical multi-shelled to crystalline via near-hexagonal shell structure with the increase of section size except that the thinnest Al nanowires break down.

关 键 词：纳米线 尺寸效应 多壳螺旋结构 键对分析 

分 类 号：TB383.1[一般工业技术—材料科学与工程]