| タイトル | Application of the embedded atom method to Pb and Be |
| 著者（英） | Yang, Z.; Vidali, G.; Tibbits, P.; Karimi, M.; Ila, D.; Dalins, I. |
| 著者所属（英） | NASA Marshall Space Flight Center |
| 発行日 | 1990-01-01
1990 |
| 言語 | eng |
| 内容記述 | We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data. |
| NASA分類 | SOLID-STATE PHYSICS |
| レポートNO | 93A50363 |
| 権利 | Copyright |
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