會議論文
| 學年 | 83 |
|---|---|
| 學期 | 1 |
| 發表日期 | 1994-12-10 |
| 作品名稱 | Lagre scale atomic study of adsorption and surface diffusion |
| 作品名稱（其他語言） | |
| 著者 | Milman, V.; Jesson, D. E.; Pennycook, S. J.; Payne, M. C.; Stich, I.; Lee, M. H. |
| 作品所屬單位 | 淡江大學物理學系 |
| 出版者 | |
| 會議名稱 | Toward teraflop computing and new grad challenge application |
| 會議地點 | LA, USA |
| 摘要 | Computer simulation of atomistic processes is an important tool in understanding the properties of condensed matter at a microscopic level. The best way to reproduce the rich variety of experimentally observed effects in the simulation is to use the quantum mechanical description of the ion-electron interactions in a solid. Such calculations although increasingly popular make high demands on the computing power available. The systems of practical interest to surface physics include at least hundreds (or even thousands) of atoms, and their ab initio study inevitably requires parallel supercomputers. In this paper the authors describe the total energy calculations of the adsorption and migration properties of a single Ge adatom on the Si(100) surface. This system is typical in complexity for modern large scale simulations and presents a good test case to show the methodology and its application to surface science problems. |
| 關鍵字 | |
| 語言 | en |
| 收錄於 | |
| 會議性質 | 國際 |
| 校內研討會地點 | |
| 研討會時間 | 19941210~19941212 |
| 通訊作者 | |
| 國別 | USA |
| 公開徵稿 | Y |
| 出版型式 | 紙本 |
| 出處 | Toward teraflop computing and new grad challenge application |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/69635 ) |