2006 Fiscal Year Final Research Report Summary
Cluster growth and deposition processes and novel properties by hybrid model
| Project/Area Number |
16310080
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (B)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Nanomaterials/Nanobioscience
|
|---|
| Research Institution | Tohoku University |
|---|
Principal Investigator |
TAKAHASHI Masae Tohoku University, Institute for Materials Research, Associate Professor, 金属材料研究所, 助手 (80183854)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
KAWAZOE Yoshiyuki Tohoku University, Institute for Materials Research, Professor (30091672)
MIZUSEKI Hiroshi Tohoku University, Institute for Materials Research, Associate Professor (00271966)
NISHIMATSU Takeshi Tohoku University, Institute for Materials Research, Research Associate (70323095)
SAHARA Ryoji Tohoku University, Institute for Materials Research, Research Associate (30323075)
BELOSLUDOV R.V. Tohoku University, Institute for Materials Research, Research Associate (10396517)
|
|---|
| Project Period (FY) |
2004 – 2006
|
| Keywords | silicon particle / n-electron materials / cluster growth / direct simulation Monte Carlo / rarefied gas / first principles calculations / hybrid model / silicon polymer |
|---|
| Research Abstract |
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.
|
