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The interaction of graphene oxide with cement mortar: implications on reinforcing mechanisms

  • Composites & nanocomposites
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Abstract

A comprehensive insight into the interactions between cementitious matrices and graphene oxide (GO) remains critical to the understanding of fundamental factors, such as reinforcing mechanisms, governing the engineering performance of cement composites. Herein, for the first time, this study investigated the snubbing effect on the interaction of GO in cement mortar. Molecular dynamic (MD) simulations were performed to pull out GO sheets from the mortar matrix from different angles. Simulation results showed that the increase in pull-out angle led to up to a fourfold increase in the bridging stress of GO, which confirmed the critical role that the snubbing effect played on the reinforcing mechanism of GO. To further understand the snubbing effects, interactions between GO and mortar matrix were analysed from both physical and chemical perspectives, showing the increase in bridging stress caused by pull-out angles is mainly attributed to the enhanced mechanical interlocking and the facilitated formation of interfacial bonds. Based on these findings, an analytical model was developed to quantify the key parameters of the snubbing effects, including snubbing coefficient, adhesion band, friction and strain-hardening coefficient, which guides design inputs of GO-reinforced cementitious composites.

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References

  1. Cao C et al (2015) High strength measurement of monolayer graphene oxide. Carbon 81:497–504

    Article  CAS  Google Scholar 

  2. Suk JW et al (2010) Mechanical properties of monolayer graphene oxide. ACS Nano 4(11):6557–6564

    Article  CAS  Google Scholar 

  3. Montes-Navajas P et al (2013) Surface area measurement of graphene oxide in aqueous solutions. Langmuir 29(44):13443–13448

    Article  CAS  Google Scholar 

  4. Gao W (2015) The chemistry of graphene oxide. Graphene oxide. Springer, pp 61–95

    Chapter  Google Scholar 

  5. Xia ZM, Wang CG, Tan HF (2018) Strain-dependent elastic properties of graphene oxide and its composite. Comput Mater Sci 150:252–258

    Article  CAS  Google Scholar 

  6. Chen Y et al (2019) Multifunctional graphene-oxide-reinforced dissolvable polymeric microneedles for transdermal drug delivery. ACS Appl Mater Interfaces 12(1):352–360

    Article  Google Scholar 

  7. Xiang Z et al (2017) Reduced graphene oxide-reinforced polymeric films with excellent mechanical robustness and rapid and highly efficient healing properties. ACS Nano 11(7):7134–7141

    Article  CAS  Google Scholar 

  8. Xiang Z et al (2018) Healability demonstrates enhanced shape-recovery of graphene-oxide-reinforced shape-memory polymeric films. ACS Appl Mater Interfaces 10(3):2897–2906

    Article  CAS  Google Scholar 

  9. Xia X et al (2021) Uncovering the glass-transition temperature and temperature-dependent storage modulus of graphene-polymer nanocomposites through irreversible thermodynamic processes. Int J Eng Sci 158:103411

    Article  CAS  Google Scholar 

  10. Hu Z et al (2016) Laser sintered single layer graphene oxide reinforced titanium matrix nanocomposites. Compos B Eng 93:352–359

    Article  CAS  Google Scholar 

  11. Lin D, Liu CR, Cheng GJ (2014) Single-layer graphene oxide reinforced metal matrix composites by laser sintering: Microstructure and mechanical property enhancement. Acta Mater 80:183–193

    Article  CAS  Google Scholar 

  12. Zhao YC et al (2019) Graphene oxide reinforced iron matrix composite with enhanced biodegradation rate prepared by selective laser melting. Adv Eng Mater 21(8):1900314

    Article  Google Scholar 

  13. Chuah S et al (2014) Nano reinforced cement and concrete composites and new perspective from graphene oxide. Constr Build Mater 73:113–124

    Article  Google Scholar 

  14. Shamsaei E et al (2018) Graphene-based nanosheets for stronger and more durable concrete: a review. Constr Build Mater 183:642–660

    Article  CAS  Google Scholar 

  15. Pan Z et al (2015) Mechanical properties and microstructure of a graphene oxide–cement composite. Cement Concr Compos 58:140–147

    Article  CAS  Google Scholar 

  16. Mohammed A et al (2015) Incorporating graphene oxide in cement composites: a study of transport properties. Constr Build Mater 84:341–347

    Article  Google Scholar 

  17. Kai MF, Zhang LW, Liew KM (2019) Graphene and graphene oxide in calcium silicate hydrates: Chemical reactions, mechanical behavior and interfacial sliding. Carbon 146:181–193

    Article  CAS  Google Scholar 

  18. Hu Y et al (2018) Transformation of pore structure in consolidated silty clay: new insights from quantitative pore profile analysis. Constr Build Mater 186:615–625

    Article  Google Scholar 

  19. Fan D, Lue L, Yang S (2017) Molecular dynamics study of interfacial stress transfer in graphene-oxide cementitious composites. Comput Mater Sci 139:56–64

    Article  CAS  Google Scholar 

  20. Fan D, Yang S, Saafi M (2021) Molecular dynamics simulation of mechanical properties of intercalated GO/CSH nanocomposites. Computat Mater Sci 186:110012

    Article  CAS  Google Scholar 

  21. Wang P et al (2020) Molecular dynamics simulation of the interfacial bonding properties between graphene oxide and calcium silicate hydrate. Const Build Mater 260:119927

    Article  CAS  Google Scholar 

  22. Li VC, Wang Y, and Backer S (1991) A micromechanical model of tension-softening and bridging toughening of short random fiber reinforced brittle matrix composites

  23. Liu Y, Wang M, Wang W (2018) Electric induced curing of graphene/cement-based composites for structural strength formation in deep-freeze low temperature. Mater Des 160:783–793

    Article  CAS  Google Scholar 

  24. Tragazikis IΚ et al (2019) Acoustic emission investigation of the effect of graphene on the fracture behavior of cement mortars. Eng Fract Mech 210:444–451

    Article  Google Scholar 

  25. Fe S, Zhou B, Lung C (1992) On the pull-out of fibers with fractal-tree structure and the interference of strength and fracture toughness of composites. Smart Mater Struct 1(2):180

    Article  Google Scholar 

  26. Fu S-Y, Lauke B (1997) The fibre pull-out energy of misaligned short fibre composites. J Mater Sci 32(8):1985–1993

    Article  CAS  Google Scholar 

  27. Zhao L et al (2018) Hydration kinetics, pore structure, 3D network calcium silicate hydrate, and mechanical behavior of graphene oxide reinforced cement composites. Constr Build Mater 190:150–163

    Article  CAS  Google Scholar 

  28. Chen SJ et al (2017) Reinforcing mechanism of graphene at atomic level: Friction, crack surface adhesion and 2D geometry. Carbon 114:557–565

    Article  CAS  Google Scholar 

  29. Lin ZT. Kanda, and Li VC (1999) On interface property characterization and performance of fiber reinforced cementitious composites

  30. Duque-Redondo E et al (2021) Microscopic mechanism of radionuclide Cs retention in Al containing C-S-H nanopores. Computat Mater Sci 190:110312

    Article  CAS  Google Scholar 

  31. Senftle TP et al (2016) The ReaxFF reactive force-field: development, applications and future directions. npj Comput Mater 2(1):1–14

    Article  Google Scholar 

  32. Sadat MR, Muralidharan K, Zhang L (2018) Reactive molecular dynamics simulation of the mechanical behavior of sodium aluminosilicate geopolymer and calcium silicate hydrate composites. Comput Mater Sci 150:500–509

    Article  CAS  Google Scholar 

  33. Psofogiannakis GM et al (2015) ReaxFF reactive molecular dynamics simulation of the hydration of Cu-SSZ-13 zeolite and the formation of Cu dimers. J Phys Chem C 119(12):6678–6686

    Article  CAS  Google Scholar 

  34. Van Duin AC et al (2003) ReaxFFSiO reactive force field for silicon and silicon oxide systems. J Phys Chem A 107(19):3803–3811

    Article  Google Scholar 

  35. Manzano H et al (2012) Confined water dissociation in microporous defective silicates: mechanism, dipole distribution, and impact on substrate properties. J Am Chem Soc 134(4):2208–2215

    Article  CAS  Google Scholar 

  36. Chenoweth K, Van Duin AC, Goddard WA (2008) ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation. J Phys Chem A 112(5):1040–1053

    Article  CAS  Google Scholar 

  37. Bonaccorsi E, Merlino S, Kampf AR (2005) The crystal structure of tobermorite 14 Å (plombierite), a C-S–H phase. J Am Ceram Soc 88(3):505–512

    Article  CAS  Google Scholar 

  38. Hou D, Zeyu L, Li X, Ma H, Li Z (2017) Reactive molecular dynamics and experimental study of graphene-cement composites: structure, dynamics and reinforcement mechanisms. Carbon 115:188–208. https://doi.org/10.1016/j.carbon.2017.01.013

    Article  CAS  Google Scholar 

  39. Gao W (2015) The chemistry of graphene oxide. In: Gao W (ed) graphene oxide. Springer International Publishing, Cham, pp 61–95. https://doi.org/10.1007/978-3-319-15500-5_3

    Chapter  Google Scholar 

  40. Jin Y, Duan F, Mu X (2016) Functionalization enhancement on interfacial shear strength between graphene and polyethylene. Appl Surf Sci 387:1100–1109

    Article  CAS  Google Scholar 

  41. Lu L, Zhang Y, Yin B (2020) Structure evolution of the interface between graphene oxide-reinforced calcium silicate hydrate gel particles exposed to high temperature. Comput Mater Sci 173:109440

    Article  CAS  Google Scholar 

  42. Hou D et al (2018) Reactive force-field molecular dynamics study on graphene oxide reinforced cement composite: functional group de-protonation, interfacial bonding and strengthening mechanism. Phys Chem Chem Phys 20(13):8773–8789

    Article  CAS  Google Scholar 

  43. Zhang Y et al (2018) Molecular dynamics study on the weakening effect of moisture content on graphene oxide reinforced cement composite. Chem Phys Lett 708:177–182

    Article  Google Scholar 

  44. Daly M et al (2016) Interfacial shear strength of multilayer graphene oxide films. ACS Nano 10(2):1939–1947

    Article  CAS  Google Scholar 

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Acknowledgements

The authors are grateful for the financial support of the Australian Research Council (IH150100006) in conducting this study.

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Authors and Affiliations

  1. Department of Civil Engineering, Monash University, Clayton, VIC, 3800, Australia

    Xupei Yao, Ezzatollah Shamsaei, Kwesi Sagoe-Crentsil & Wenhui Duan

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  1. Xupei Yao
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  2. Ezzatollah Shamsaei
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  3. Kwesi Sagoe-Crentsil
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  4. Wenhui Duan
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Correspondence to Xupei Yao.

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Handling Editor: M. Grant Norton.

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Yao, X., Shamsaei, E., Sagoe-Crentsil, K. et al. The interaction of graphene oxide with cement mortar: implications on reinforcing mechanisms. J Mater Sci 57, 3405–3415 (2022). https://doi.org/10.1007/s10853-021-06808-y

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  • DOI: https://doi.org/10.1007/s10853-021-06808-y

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