| About this Abstract |
| Meeting |
6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
| Symposium
|
6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
| Presentation Title |
Implementing Reactive Molecular Dynamics Simulations to Predict Residual Stresses in Polymers Using ICME |
| Author(s) |
Sagar Umesh Patil, Khatereh Kashmari, Sagar Shah, Prathamesh Deshpande, Gregory Odegard, Marianna Maiaru |
| On-Site Speaker (Planned) |
Gregory Odegard |
| Abstract Scope |
High-performance resins are extensively used as matrix material in composites for aerospace applications which require a wide range of elevated temperatures during their manufacturing. The shrinkage cause during curing contributes to the residual stress build-up that can be detrimental to composite laminates under in-service loading. In thermosets like epoxy resins shrinkage causes due to crosslinking between monomers, and in thermoplastics highly densified crystalline regions can form in the leading to shrinkage of the matrix and development of internal residual stresses. The prediction of residual stresses requires models that combines simulation tools at multiple length-scales. Integrated Computational Materials Engineering (ICME) is an excellent tool which make a bridge between different length scales by using computational and experimental methods and provides an optimal approach in terms of cost and time to designing composite materials. Here, a multi-scale framework, based on ICME, which integrates molecular dynamics (MD) at nanoscale and finite element methods (FEM) at micro-scale is used to investigate the effects of temperature history and processing conditions on the thermal-mechanical properties of EPON862/DETDA epoxy and PEEK and predict the evolution of residual stress in a polymer matrix composites during processing. This information plays a key role in multiscale process modeling necessary to establish ideal processing conditions to yield composites with optimal performance and durability. The results showed that molecular and microscale analyses can be successfully integrated under ICME to investigate the residual stress build-up during composite processing. |
| Proceedings Inclusion? |
Definite: Other |