Coarse-grained model and force field development for predicting phase change and thermal transport in polyethylene
Coarse-grained model and force field for predicting phase change and thermal transport in meso-scale polyethylene were developed and its accuracy was validated. The coarse-grained force field was obtained through coarse-grained molecular dynamics simulations by multistate iterative Boltzmann inversi...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | zho |
| Published: |
Journal of Materials Engineering
2020-01-01
|
| Series: | Journal of Materials Engineering |
| Subjects: | |
| Online Access: | http://jme.biam.ac.cn/CN/Y2020/V48/I1/34 |