| タイトル | Modelling of Surfaces. Part 1: Monatomic Metallic Surfaces Using Equivalent Crystal Theory |
| 本文（外部サイト） | http://hdl.handle.net/2060/19940032951 |
| 著者（英） | Ferrante, John; Rodriguez, Agustin M.; Bozzolo, Guillermo |
| 著者所属（英） | NASA Lewis Research Center |
| 発行日 | 1994-07-01 |
| 言語 | eng |
| 内容記述 | We present a detailed description of equivalent crystal theory focusing on its application to the study of surface structure. While the emphasis is in the structure of the algorithm and its computational aspects, we also present a comprehensive discussion on the calculation of surface energies of metallic systems with equivalent crystal theory and other approaches. Our results are compared to experiment and other semiempirical as well as first-principles calculations for a variety of fcc and bcc metals. |
| NASA分類 | METALLIC MATERIALS |
| レポートNO | 94N37459
NASA-TM-106680
E-9020-PT-1
NAS 1.15:106680 |
| 権利 | No Copyright |
