Brownian dynamics simulation of two‐dimensional nanosheets under biaxial extensional flow
Abstract
The morphology dynamics of two‐dimensional nanosheets under extensional flow are investigated using a coarse‐grained model. Nanosheets (graphene, BNNS, MX2) are promising materials for a variety of materials and electronics applications. Extensional flow fields are often present during dispersion processing, such as spin coating. Both nanosheet properties (e.g., moduli, size) and processing parameters (e.g., extension rate) can have a significant impact on the nanosheet morphology and thus, the structure and properties of the bulk material. Our previously developed dimensionless Brownian dynamics methodology is used to explore biaxial extensional flow. Nanosheets exhibit a flat conformation under extensional flow for high bending moduli and an extended “washrag” conformation for low bending moduli. Intrinsic extensional viscosity increases with strain before reaching a plateau. The intrinsic viscosity exhibits a weak power law with nanosheet molecular weight. These simulation results allow for experimental control over morphology as a function of nanosheet properties and flow type and strength. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1247–1253
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 23, 2015
- Source ID
- 10.1002/polb.23760
Entities
People
- Micah J Green
- Yueyi Xu
Organizations
- Air Force Office of Scientific Research
- National Science Foundation
- Texas Tech University