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Study of the formation and mechanical properties of surface nanostructures by means of atomistic simulation

通过原子模拟研究表面纳米结构的形成和力学性能

基本信息

批准号：
17560066
负责人：
SHINTANI Kazuhito
金额：
$ 2.3万
依托单位：
The University of Electro-Communications
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
2005
资助国家：
日本
起止时间：
2005 至 2006
项目状态：
已结题

项目摘要

1. Simulations of coalescence of a Au cluster and a Cu cluster were performed. Clusters of fcc and icosahedral structures were created. How the structure, temperature, and size of the clusters before coalescence affect the structure of the coalesced cluster was investigated. It was concluded that an isolated cluster of fcc or icosahedral structure preserves its original shape and remains in the quasi-stable state, that the process of coalescence of clusters consists of spread of Au atoms over the Cu cluster, transfer of the surface energy to the kinetic energy, and progress of alloying at the internal Au/Cu interface, and that an alloyed cluster is created if a Cu cluster and a Au cluster are of about the same size while a core-shell cluster is created if the size of a Au cluster is smaller than that of a Cu cluster.Next, deposition of an icosahedral Cu cluster on a Cu substrate in Ar gas was simulated. The effect of Ar gas on the deposition and on the structural properties of the depo … More sited cluster was investigated. It was concluded that clusters deposited at room temperature become epitaxial, and that since the kinetic energy of a cluster is dissipated by Ar gas, the cluster arrives at a substrate surface without damage and undergoes a nondispersive structural transformation.2. Simulations of formation of a Co/Cu/Co multilayer were performed. A Co(0001) substrate was created, and 6ML of Cu atoms and 6ML of Co atoms with the velocities corresponding to ones in experiments were deposited on it. The quality of a created multilayer was evaluated by calculating its surface roughness and intermixing. It was concluded that Cuatoms form two-dimensional islands on a Co(0001) substrate, that the higher the incident energy of deposited atoms, the flatter the surface of the deposited atoms, that the best interface is obtained by the deposition of atoms with the energy 5eV among the energies leV, 5eV, and 10eV, and that the usage of the smaller incident energy of Co atoms deposited on a Cu film diminishes the interface roughness and intermixing. Less

1.模拟了一个Au团簇和一个Cu团簇的聚结过程。形成了面心立方和二十面体结构的簇。研究了团簇的结构、温度和尺寸对团簇结构的影响。结果表明，孤立的面心立方或二十面体结构的团簇保持其原始形状并保持准稳定状态，团簇的聚结过程包括Au原子在Cu团簇上的扩散、表面能向动能的转移以及内部Au/Cu界面合金化的进行，并且如果Cu簇和Au簇具有大约相同的尺寸，则产生合金簇，而如果Au簇的尺寸小于Cu簇的尺寸，则产生核-壳簇。模拟了二十面体Cu团簇在Ar气中在Cu衬底上的沉积。研究了Ar气对沉积的影响及对沉积层结构的影响。 ...更多信息对集群进行了调查。结果表明，在室温下沉积的团簇是外延生长的，由于Ar气体消耗了团簇的动能，团簇到达衬底表面时没有受到损伤，并经历了非色散的结构转变.模拟了Co/Cu/Co多层膜的形成过程。制备了Co（0001）衬底，在其上沉积了6 ML的Cu原子和6 ML的Co原子，沉积速度与实验结果一致，通过计算多层膜的表面粗糙度和混合度来评价多层膜的质量。结果表明，Cu原子在Co（0001）衬底上形成二维岛状结构，沉积原子的入射能量越高，沉积原子的表面越平整，在1 eV、5eV和10 eV中，能量为5eV的原子沉积的界面最好，利用Co原子较小的入射能量沉积在Cu膜上，减小了界面粗糙度和互混。少

项目成果

期刊论文数量（42）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

二層カーボンナノチューブの力学的特性の分子動力学解析

双壁碳纳米管力学性能的分子动力学分析

DOI：
发表时间：
2007
期刊：
日本機械学会関東支部第13回総会講演会講演論文集 No. 070-1
影响因子：
0
作者：
T.Morimoto;Y.Tanigawa;矢野裕一;米谷雄介;大井康義
通讯作者：
大井康義

Molecular-dynamics study of the morphological evolution of a metallic cluster deposited on a surface

表面沉积金属簇形态演化的分子动力学研究

DOI：
发表时间：
2006
期刊：
Materials Research Society Symposium Proceedings (Mechanics of Nanoscale Materials and Devices) Vol.924E
影响因子：
0
作者：
T.Morimoto;Y.Tanigawa;矢野裕一;米谷雄介;大井康義;K.Shintani;K.Shintani;K.Shintani
通讯作者：
K.Shintani

Mechanical properties of Si/Ge core-shell nanowires under a uniaxial tension

单轴拉伸下Si/Ge核壳纳米线的力学性能