One of the major goal of the researchers is to reduce energy loss including nanoscale to the structural level. For instance, around 65% of fuel energy is lost during the propulsion of the automobiles, where 11% of the loss happens at tires due to rolling friction. Out of that tire loss, 90 to 95% loss happens due to hysteresis of tire materials. This dissertation focuses on multiscale modeling techniques in order to facilitate the discovery new rubber materials. Enhanced coarse-grained models of elastomers (thermoplastic polyurethane elastomer and natural rubber) are constructed from full-atomic models with reasonable repeat units/beads associated with pressure-correction for non-bonded interactions of the beads using inverse Boltzmann method (IBM). Equivalent continuum modeling is performed with volumetric/isochoric loading to predict macroscopic mechanical properties using molecular mechanics (MM) and molecular dynamics (MD). Glass-transition and rate-dependent mechanical properties along with hysteresis loss under uniaxial deformation is predicted with varying composition of the material. A statistical non-Gaussian treatment of a rubber chain is performed and linked with molecular dynamics in order predict hyperelastic material constants without fitting with any experimental data.
| Identifer | oai:union.ndltd.org:unt.edu/info:ark/67531/metadc955108 |
| Date | 12 1900 |
| Creators | Uddin, Md Salah |
| Contributors | Ju, Jaehyung, 1973-, D'Souza, Nandika Anne, 1967-, Xia, Zhenhai, Brostow, Witold, 1934-, Choi, Tae-Youl |
| Publisher | University of North Texas |
| Source Sets | University of North Texas |
| Language | English |
| Detected Language | English |
| Type | Thesis or Dissertation |
| Format | Text |
| Rights | Public, Uddin, Md Salah, Copyright, Copyright is held by the author, unless otherwise noted. All rights Reserved. |
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