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. 2019 Oct 17;9(10):1479. doi: 10.3390/nano9101479

Figure 1.

Figure 1

Schematic view of mapping all-atomistic model to coarse-grained model for epoxy nanocomposites reinforced by (5,5) carbon nanotube (CNT). (a) Snapshot of the all-atomistic model, (b) the adopted mapping scheme for DGEBA and DDM molecules, (c) the adopted mapping scheme for (5,5) CNT, and (d) snapshot of the resulting coarse-grained model.