权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Cluster growth and deposition processes and novel properties by hybrid model

混合模型的团簇生长和沉积过程以及新特性

基本信息

批准号：
16310080
负责人：
TAKAHASHI Masae
金额：
$ 10.05万
依托单位：
Tohoku University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
2004
资助国家：
日本
起止时间：
2004 至 2006
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-16310080/
关键词：
silicon particle n-electron materials cluster growth direct simulation Monte Carlo rarefied gas first principles calculations hybrid model silicon polymer 階層化モデル金属内包シリコンクリスター機能性薄膜

项目摘要

Recently, cluster deposition methods have been intensely studied as a means to create systems with precisely tailored properties, leading to the suggestion to use such techniques as novel ways to manufacture high-density magnetic recording media. In simulation schemes the gas flow is treated as either a continuum or a molecular flow. Theoretically, continuum (fluid) approximations of the transport equations begin to break down at low pressure. A method to treat the large Knudsen number region is the so-called Direct Simulation Monte Carlo (DSMC) method which gives a solution to the Boltzmann equation without any assumptions on the form of the distribution function. In the present study a new simulation method based on a combination of DSMC and a cluster collision model was introduced to examine the effect of experimental conditions in cluster beam growth. We simulated the behavior of clusters and inert gas atoms in the flight path under different experimental conditions. Moreover, we investigated the structures of neutral and anionic hydrogen-terminated oligomers (H-Sin-H : n ) 2,4,6,8) and siliconsix-membered rings (c-Si6) using quantum-chemical methods to find stable planar polysiliconchains and aromatic silicon six-membered rings.

最近，簇沉积方法已被深入研究，作为一种手段，以创建具有精确定制的性能的系统，导致建议使用这种技术作为新的方法来制造高密度磁记录介质。在模拟方案中，气体流动被处理为连续流或分子流。理论上，输运方程的连续（流体）近似在低压下开始失效。一种处理大克努森数区域的方法是所谓的直接模拟蒙特卡罗（DSMC）方法，该方法给出了玻尔兹曼方程的解，而没有对分布函数的形式进行任何假设。在本研究中，一个新的模拟方法的基础上相结合的DSMC和团簇碰撞模型被引入到研究的影响，在团簇束生长的实验条件。模拟了不同实验条件下团簇和惰性气体原子在飞行路径上的行为。此外，我们还用量子化学方法研究了中性和阴离子氢封端的低聚物（H-Sin-H：n）2，4，6，8）和硅六元环（c-Si 6）的结构，发现了稳定的平面多晶硅链和芳香硅六元环。