Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 20, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4981258
Keywords
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Funding
- EPSRC/NSF Materials Network Program [EP/5065373/1, DMR-1210379]
- ACS/PRF [54028-ND7]
- NSF/DMR [1507713]
- Engineering and Physical Sciences Research Council [EP/J018503/1] Funding Source: researchfish
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1507713] Funding Source: National Science Foundation
- EPSRC [EP/J018503/1] Funding Source: UKRI
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Nanoparticle and polymer dynamics in nanocomposites containing spherical nanoparticles were investigated by means of molecular dynamics simulations. We show that the polymer diffusivity decreases with nanoparticle loading due to an increase of the interfacial area created by nanoparticles, in the polymer matrix. We show that small sized nanoparticles can diffuse much faster than that predicted from the Stokes-Einstein relation in the dilute regime. We show that the nanoparticle diffusivity decreases at higher nanoparticle loading due to nanoparticle-polymer interface. Increase of the nanoparticle radius slows the nanoparticle diffusion. Published by AIP Publishing.
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