Structure of liquid gold from tight-binding driven molecular-dynamics |
| |
| Authors: | Jacek Dziedzic Jaroslaw Rybicki |
| |
| Affiliation: | 1. Faculty of Technical Physics and Applied Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland;2. TASK Computer Centre, Gdansk University of Technology, Narutowicza 11/12, 80-952 Gdansk, Poland;1. Gdansk University of Technology, Gdansk, Poland;2. Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland;3. University of Athens, Athens,Greece |
| |
| Abstract: | A tight-binding (TB) driven molecular-dynamics (MD) simulation of liquid gold in a periodic supercell was performed using our recently developed computer code. The structure of the obtained liquid is discussed and compared with the available empirical data and results of other simulations, in terms of pair correlation functions, angular distribution functions and electronic density of states. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
