On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers
In the context of fracture simulations of polymers, the molecular mechanisms in the vicinity of the crack tip are of particular interest. Nevertheless, to keep the computational cost to a minimum, a coarser resolution must be used in the remaining regions of the numerical sample. For the specific ca...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-02-01
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| Series: | Forces in Mechanics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666359722000877 |