Comparing the mechanical response of di‐, tri‐, and tetra‐functional resin epoxies with reactive molecular dynamics | Zendy

Radue Matthew S. | Zendy; Jensen Benjamin D. | Zendy; Gowtham S. | Zendy; KlimekMcDonald Danielle R. | Zendy; King Julia A. | Zendy; Odegard Gregory M. | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Comparing the mechanical response of di‐, tri‐, and tetra‐functional resin epoxies with reactive molecular dynamics

Author(s) -

Radue Matthew S.,

Jensen Benjamin D.,

Gowtham S.,

KlimekMcDonald Danielle R.,

King Julia A.,

Odegard Gregory M.

Publication year - 2018

Publication title -

journal of polymer science part b: polymer physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.65

H-Index - 145

eISSN - 1099-0488

pISSN - 0887-6266

DOI - 10.1002/polb.24539

Subject(s) - reaxff , molecular dynamics , materials science , stiffness , composite material , modulus , epoxy , monomer , yield (engineering) , young's modulus , force field (fiction) , computational chemistry , chemistry , computer science , polymer , interatomic potential , artificial intelligence

The influence of monomer functionality on the mechanical properties of epoxies is studied using molecular dynamics (MD) with the Reax Force Field (ReaxFF). From deformation simulations, the Young's modulus, yield point, and Poisson's ratio are calculated and analyzed. Comparison between the network structures of distinct epoxies is further advanced by the monomeric degree index (MDI). Experimental validation demonstrates the MD results correctly predict the relationship in Young's moduli. Therefore, ReaxFF is confirmed to be a useful tool for studying the mechanical behavior of epoxies. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56 , 255–264

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research