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• W4281712010 abstract "Polymer welding has received numerous scientific attention, however, the welding of polymer nanocomposites (PNCs) has not been studied yet. In this work, via coarse-grained molecular dynamics simulation, the attention on investigating the welding interfacial structure, dynamics, and strength by constructing the upper and lower layers of PNCs, by varying the polymer-nanoparticle (NP) interaction strength εNP-p is focused. Remarkably, at low εNP-p , the NPs gradually migrate into the top and bottom surface layer perpendicular to the z direction during the adhesion process, while they are distributed in the middle region at high εNP-p . Meanwhile, the dimension of polymer chains is found to exhibit a remarkable anisotropy evidenced by the root-mean-square radius of gyration in the xy- (Rg,xy ) and z- (Rg,z ) component. The welding interdiffusion depth increases the fastest at low εNP-p , attributed to the high mobility of polymer chains and NPs. Lastly, although the mechanical properties of PNCs at high εNP-p is the strongest because of the presence of the NPs in the bulk region, the welding efficiency is the greatest at low εNP-p . Generally, this work provides a fundamental understanding of the interfacial welding of PNCs, in hopes of guiding to design and fabricate excellent self-healable PNCs." @default.
• W4281712010 created "2022-06-13" @default.
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• W4281712010 date "2022-07-05" @default.
• W4281712010 modified "2023-09-27" @default.
• W4281712010 title "Molecular Dynamics Simulations of Polymer Nanocomposites Welding: Interfacial Structure, Dynamics and Strength" @default.
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• W4281712010 doi "https://doi.org/10.1002/marc.202200221" @default.
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