Multiscale modeling of PEEK using reactive molecular dynamics modeling and micromechanics

Author:

Pisani William A.ORCID,Radue Matthew S.,Chinkanjanarot Sorayot,Bednarcyk Brett A.,Pineda Evan J.ORCID,Waters Kevin,Pandey Ravindra,King Julia A.,Odegard Gregory M.ORCID

Funder

Michigan Technological University

NSF I/UCRC

Publisher

Elsevier BV

Subject

Polymers and Plastics,Materials Chemistry,Organic Chemistry

Reference36 articles.

1. The effects of crystallinity on the mechanical properties of PEEK polymer and graphite fiber reinforced PEEK;Talbott;J. Compos. Mater.,1987

2. Molecular modeling of crosslinked epoxy polymers: the effect of crosslink density on thermomechanical properties;Bandyopadhyay;Polymer,2011

3. Predicted mechanical response of crosslinked epoxy using ReaxFF;Odegard;Chem. Phys. Lett.,2014

4. S. M. Arnold, P. L. Murthy, B. A. Bednarcyk, J. W. Lawson, J. D. Monk and C. W. Bauschlicher, ""Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties," NASA Technical Memorandum 219124.

5. ReaxFF: a reactive force field for hydrocarbons;van Duin;J. Phys. Chem.,2001

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