Mechanical properties of boron nitride nanotube reinforced PEEK composite: a molecular dynamics study

Figures & data

Figure 1. Molecular modelling of nanotube/PEEK nanocomposites.

Figure 2. Molecular models for pull-out simulations: (a) 3D periodicity; (b) 2D periodicity.

Figure 3. Molecular configuration of –NH₂ functionalized: BNNT and CNT.

Figure 4. Pull-out modeling results of BNNT and CNT reinforced PEEK. (a) molecular configuration during pull-out; (b) change of interaction energy between nanotubes and PEEK; (c) IFSS results of BNNT and CNT.

Figure 5. Tensile modeling results of BNNTs reinforced PEEK. (a) provides the tensile curves of PEEK reinforced by different nanotubes; (b) and (c) Young’s modulus and tensile strength of these nanotube-modified PEEK.

Figure 6. Change of interaction energy during the tensile modeling with respect to the content of BNNTs.

Figure 7. The molecular mechanism of the nanotube reinforcing effect. (a) the interaction configuration of the BNNT and PEEK interface; (b) the number of hydrogen bonds during the pull-out simulation of BNNT-NH₂ from the PEEK matrix; (c) the RDF results for different nanotubes reinforcement plans.

Figure 8. PEEK matrix fracture in nanocomposites.

Data availability statement

Data are available upon reasonable request from the corresponding authors.