Research Article
Micro/Nanoscale Study on the Effect of Aging on the Performance of Crumb Rubber Modified Asphalt
Table 4
Model optimization steps and parameters.
| Steps | Number of steps or time | Forcefield or ensemble |
| Geometry optimization | 105 | COMPASSII | Anneal | 5 104 | NPT | Dynamics | 200 ps | NPT-298K | 100 ps | NVT-1500K |
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