Title: Rate-Dependent Traction Law for Glass Fiber-Epoxy Interphase Developed Using Molecular Simulations
Authors: Sanjib C. Chowdhury and John W. Gillespie Jr.
DOI: 10.33599/nasampe/s.22.0745
Abstract: Impact loading of composites subjects the constituents such as the nanometer scale interphase to high strain loading that can cause fiber-matrix debonding. In multi-scale modeling, interphase debonding is modeled using the interphase traction-separation laws. In this paper, we develop strain rate dependent Mode-I traction law for the glass fiber-epoxy interphase using all-atom molecular dynamics (MD) simulation. The interphase model is prepared considering monolayer glycidoxypropyltrimethoxy silane (GPS) in between the glass surface and epoxy matrix using our developed protocol [Chowdhury et al. Applied Surface Science 2021, 542:148738]. Traction laws are developed over a full range of strain rates from quasi-static to super-high strain rate ( 1e16/s) where a theoretical plateau strength limit is predicted. A stress-relaxation methodology is introduced to construct quasi-static traction-separation responses from high strain rate loading. Simulation results reveal that the interphase traction-separation responses are strain rate dependent. Variations of peak traction and energy with strain rates show a characteristic S-shape pattern in a semi-log plot with a gradual increase in properties up to 1e12/s where a steep transition occurs between 1e13/s to 1e14/s followed by a strain rate independent plateau. MD predicted traction and energy are fitted with mathematical correlations to use them in the finite element-based continuum level micro-mechanics modeling to bridge the length scale for multi-scaling.
References: 1. Drzal, L. T., “The Interphase in Epoxy Composites.” Advances in Polymer Science 75 (1986): 1-32. 2. Chowdhury, S. C., Prosser, R., Elder, R. M., Sirk, T. W., and Gillespie Jr., J. W., “Glass Fiber-Epoxy Interactions in the Presence of Silane: A Molecular Dynamics Study.” Applied Surface Science 542 (2021): 148738. 3. Larson, B. K., and Drzal, L. T., “Glass Fibre Sizing/Matrix Interphase Formation in Liquid Composite Moulding: Effects on Fibre/Matrix Adhesion and Mechanical Properties.” Composites 25 (7) (1994): 711-721. 4. Zhao, F. M., and Takeda, N., “Effect of Interfacial Adhesion and Statistical Fiber Strength on Tensile Strength of Unidirectional Glass Fiber/Epoxy Composites. Part I: Experiment Results.” Composites: Part A 31 (2000): 1203–1214. 5. Tanoglu, M., Ziaee, S., McKnight, S. H., Palmese, G. R., and Gillespie Jr., J. W., “Investigation of the Properties of Fiber/Matrix Interphase Formed Due to the Glass Fiber Sizings.” J. Mater. Sci. 36 (12) (2001): 3041-3053. 6. Tanoglu, M., McKnight, S. H., Palmese, G. R., and Gillespie Jr., J. W., “The Effects of Glass-Fiber Sizings on the Strength and Energy Absorption of the Fiber/Matrix Interphase under High Loading Rates.” Compos. Sci. Technol. 61(2) (2001): 205-220. 7. Gao, X., Jensen, R. E., Li, W., Deitzel, J., McKnight, S. H., and Gillespie Jr., J. W., “Effect of Fiber Surface Texture Created from Silane Blends on the Strength and Energy Absorption of the Glass Fiber/Epoxy Interphase.” J. Compos. Mater. 42 (2008): 513. 8. Chowdhury, S. C., Haque, B. Z., and Gillespie Jr., J. W., “Molecular Dynamics Simulations of the Structure and Mechanical Properties of Silica Glass Using ReaxFF.” J. Mater. Sci. 51 (2016): 10139-10159. 9. Yeon, J., Chowdhury, S. C., and Gillespie Jr., J. W., “Mechanical Properties and Damage Analysis of S-glass Fiber: A Reactive Molecular Dynamics Study.” Composites Part B 2022 (In review). 10. Chowdhury, S. C., Wise, E. A., Ganesh, R., and Gillespie Jr., J. W., “Effects of Surface Crack on the Mechanical Properties of Silica: A Molecular Dynamics Simulation Study.” Engineering Fracture Mechanics 207 (2019): 99-108. 11. Chowdhury, S. C., Elder, R. M., Sirk, T. W., and Gillespie Jr., J. W., “Epoxy Resin Thermo-Mechanics and Failure Modes: Effects of Cure and Cross-Linker Length.” Composites Part B 186 (2020): 107814. 12. Chowdhury, S. C., Elder, R. M., Sirk, T. W., van Duin, A. C. T., and Gillespie Jr., J. W., “Modeling of Glycidoxypropyltrimethoxy Silane Compositions Using Molecular Dynamics Simulations.” Comp. Mater. Sci. 140 (2017): 82–88. 13. Chowdhury, S. C., and Gillespie Jr., J. W., “Silica - Silane Coupling Agent Interphase Properties Using Molecular Dynamics Simulations.” J. Mater. Sci. 52 (2017): 12981-12998. 14. Llorca, J. L., González, C., Molina-Aldareguia, J., and Lopes, C.s., “Multiscale Modeling of Composites: Toward Virtual Testing and Beyond.” JOM 65 (2013): 215-225. 15. Talreja, R., “Multi-Scale Modeling in Damage Mechanics of Composite Materials.” Journal of Materials Science 41 (20) (2006): 6800–6812. 16. Meyer, C. S., Haque. B. Z., and Gillespie Jr., J. W., “Bridging Length Scales From Micro to Mesoscale Through Rate-Dependent Traction-Separation Law Predictions.” Composites Part B 231 (2022): 109558. 17. Chu, J., Claus, B., Lim, B. H., O'Brien, D. J., Sun, T., Fezzaa, K., and Chen, W., “Rate Effects on Fiber–Matrix Interfacial Transverse Debonding Behavior.” Journal of Composite Materials 54 (4) (2020): 501-517. 18. Chu, J., Claus, B., Parab, N., O'Brien, D. J., Sun, T., Fezzaa, K., and Chen, W., “Visualization of Dynamic Fiber-Matrix Interfacial Shear Debonding.” Journal of Materials Science 53 (2018): 5845-5859. 19. Sockalingam, S., Dey, M., Gillespie Jr., J. W., and Keefe, M., “Finite Element Analysis of the Microdroplet Test Method Using Cohesive Zone Model of the Fiber/Matrix Interface.” Composites: Part A 56 (2014): 239–247. 20. Tamrakar, S., Ganesh, R., Sockalingam, S., and Gillespie Jr., J. W., “Rate Dependent Mode II Traction Separation Law for S-2 Glass/Epoxy Interface Using a Microdroplet Test Method.” Composites Part A: Applied Science and Manufacturing 124 (2019): 105487. 21. Plimpton, S., “Fast Parallel Algorithms for Short-Range Molecular Dynamics.” J. Comput. Phys. 117 (1) (1995): 1-19. 22. Senftle, T., Hong, S., Islam, M., Kylasa, S. B., Zheng, Y., Shin, Y.K., Junkermeier, C., Engel-Herbert, R., Janik, M., Aktulga, H. M., Verstraelen, T., Grama, A. Y., and van Duin, A. C. T. “The Reaxff Reactive Force-Field: Development, Applications, and Future Directions.” Npj Comput Mater (2016): 15011. 23. Stukowski, A., “Visualization and Analysis of Atomistic Simulation Data with OVITO–the Open Visualization Tool. Modelling Simul,” Mater. Sci. Eng. 18 (2010): 015012. 24. Zhuravlev, L. T., “Concentration of Hydroxyl Groups on the Surface of Amorphous Silicas.” Langmuir 3 (1987): 316-318. 25. Johannson, O., Stark, R., and Baney, R., “Investigation of the Physical-Chemical Nature of the Matrix-Reinforcement Interface.” Technical Report ARML-TR-65-303, Pt I, Air Force Materials Laboratory, Ohio, USA. 26. Wang, J., Wolf, R. M., Caldwell, J. W., and Kollman, P. A., “Case DA. Development and Testing of a General Amber Force Field.” J. Comput. Phys. 25 (9) (2004): 1157-1174. 27. Wang, J., Wang, W., and Kollman, P. A., “Case DA. Automatic Atom Type and Bond Type Perception in Molecular Mechanical Calculations.” J. Mol. Graph. Model 25 (2) (2006): 247-260. 28. Sirk, T. W., Khare, K. S., Karim, M., Lenhart, J. L., Andzelm, J. W., McKenna, G. B., and Khare, R., “High Strain Rate Mechanical Properties of a Cross-Linked Epoxy Across the Glass Transition.” Polymer 54 (26) (2013): 7048-7057. 29. Chaikin, P. M., and Lubensky, T. C., “Principles of Condensed Matter Physics.” Cambridge University Press, Cambridge, 2000. 30. Tamrakar, S., Ganesh, R., Sockalingam, S., Haque, B. Z., and Gillespie Jr., J. W., “Experimental Investigation of Strain Rate and Temperature Dependent Response of an Epoxy Resin Undergoing Large Deformation.” J. Dyn. Behav. Mater. 4 (2018): 114–128. 31. Chowdhury, S. C., and Gillespie Jr., J. W., “Strain-Rate Dependent Mode I Cohesive Traction Laws for Glass Fiber-Epoxy Interphase using Molecular Dynamics Simulations.” Composites Part B 2022 (In review).
Conference: SAMPE 2022
Publication Date: 2022/05/23
SKU: TP22-0000000745
Pages: 11
Price: $22.00
Get This Paper