| Cs33Cl32_A structure dynamics | ||||
| Cs33Cl32 Thermodynamic Study | ||||
| 5fs time steps | ||||
| T (K) | Potential E (eV) | Pot E fluxuations (eV) |
Comments | |
| 0 | -199.8 | 0 | Maintains original structure from Peter Loeffler | |
| 100 | -199.05 | 0.2 | visible vibrations | |
| 200 | -198.1 | 0.5 | ||
| 300 | -197.25 | 0.6 | ||
| 400 | -196.4 | 0.85 | ||
| 500 | -195.4 | 1.1 | floppy | |
| 600 | -194 | 1.75 | ||
| 700 | -194 | 2 | ||
| 800 | -193 | 2.25 | original structure still visible | |
| 825 | -191.5 | 2.25 | ||
| 850 | -187.5 | 2.5 | melted | |
| 900 | -187 | 3 | melted | |
| 1000 | -184.5 | 3.25 | ||
| 1100 | -182.5 | 3.5 | ||
| 1200 | -180 | 4 | can become very elongated, string-like, near fragmentation and evaporation | |
Last Updated on 1/21/99
By Douglas Cameron
Email: cameron@genetical.com