| Autor: |
Benjamin D. Jensen, Gregory M. Odegard, Pavan K. Valavala, Ananyo Bandyopadhyay |
| Rok vydání: |
2010 |
| Předmět: |
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| Zdroj: |
51st AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference 18th AIAA/ASME/AHS Adaptive Structures Conference 12th. |
| DOI: |
10.2514/6.2010-2811 |
| Popis: |
Molecular Dynamics simulations are used to study cross-linking of an epoxy polymer. OPLS force field parameters are used for modeling a 2:1 stoichiometric mixture of epoxy resin and the cross-linking agent. The model has 17,928 united atoms and a static cross-linking method is used along with molecular minimization and molecular dynamics techniques to achieve two different cross-link densities. The crosslinked models can be used for understanding various phenomenon occurring in cross-linked epoxy resins at the atomic scale. Glass-transition temperature ranges of two differently cross-linked samples have been predicted using the models. These models will be used for studying aging behavior at the atomic level in epoxy materials and understanding the influence of aging on mechanical properties. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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