Two-Way Linked Multiscale Method Integrated with Nanomechanical Tests and Cohesive Zone Fracture to Model Highly Heterogeneous Binding Materials
Publication: Journal of Engineering Mechanics
Volume 144, Issue 10
Abstract
This paper presents a two-way linked multiscale method that is integrated with nanomechanical tests and a cohesive zone fracture model to investigate highly heterogeneous cementitious materials such as alkali-activated geopolymer. To this end, geopolymer paste, which is known to have multiphase heterogeneous media, was fabricated and tested to identify (1) local-scale microstructures and nanomechanical properties of individual components within the paste, and (2) global-scale fracture through a three-point bending beam test. Local–global results were then integrated with the two-way linked finite-element modeling. Global and local scales were systemically represented in the model with a homogeneous bending beam structure where the elements of the potential crack zone are linked to a heterogeneous geopolymer microstructure representative volume element (RVE) in the two-way coupled multiscale modeling framework. This integrated experimental–computational multiscale approach can provide the material properties, such as micrometer-length-scale cohesive zone fracture properties, which are considered core properties but not usually feasible to identify using conventional test methods. Test-modeling results imply that the two-way linked multiscale method integrated with nanomechanical tests can be used as a method for characterization and design of various multiphase media, including materials used for critical civil infrastructure.
Get full access to this article
View all available purchase options and get full access to this article.
Acknowledgments
The authors gratefully acknowledge the National Science Foundation (CMMI-1635055) for their financial support to accomplish this research.
References
Allen, D. H. 2001. “Homogenization principles and their application to continuum damage mechanics.” Compos. Sci. Technol. 61 (15): 2223–2230. https://doi.org/10.1016/S0266-3538(01)00116-6.
Allison, P. G., C. A. Weiss, R. D. Moser, A. J. Diaz, O. G. Rivera, and S. S. Holton. 2015. “Nanoindentation and SEM/EDX characterization of the geopolymer-to-steel interfacial transition zone for a reactive porcelain enamel coating.” Compos. Part B 78: 131–137. https://doi.org/10.1016/j.compositesb.2015.03.011.
Bagheri, A., A. Nazari, J. G. Sanjayan, and P. Rajeev. 2017. “Alkali activated materials vs geopolymers: Role of boron as an eco-friendly replacement.” Constr. Build. Mater. 146: 297–302. https://doi.org/10.1016/j.conbuildmat.2017.04.137.
Bakharev, T. 2005. “Geopolymeric materials prepared using Class F fly ash and elevated temperature curing.” Cem. Concr. Res. 35 (6): 1224–1232. https://doi.org/10.1016/j.cemconres.2004.06.031.
Beran, M. J. 2001. “Statistical continuum mechanics.” In Mechanics of random and multiscale microstructures, edited by D. Jeulin and M. Ostoja-Starzewski, 1–31. New York: Springer.
Beran, M. J., and A. Pytte. 1968. “Statistical continuum theories.” Am. J. Phys. 36 (10): 923. https://doi.org/10.1119/1.1974326.
Bleszynski, R. F., and M. D. Thomas. 1998. “Microstructural studies of alkali-silica reaction in fly ash concrete immersed in alkaline solutions.” Adv. Cem. Based Mater. 7 (2): 66–78. https://doi.org/10.1016/S1065-7355(97)00030-8.
Bozorgzad, A., S. F. Kazemi, and F. Moghadas Nejad. 2018. “Finite-element modeling and laboratory validation of evaporation-induced moisture damage to asphalt mixtures.” In Proc., 97th Transportation Research Board Annual Meeting. Washington, DC: Transportation Research Board.
Broughton, J. Q., F. F. Abraham, N. Bernstein, and E. Kaxiras. 1999. “Concurrent coupling of length scales: Methodology and application.” Phys. Rev. B 60 (4): 2391–2403. https://doi.org/10.1103/PhysRevB.60.2391.
Das, S., P. Yang, S. S. Singh, J. C. Mertens, X. Xiao, N. Chawla, and N. Neithalath. 2015. “Effective properties of a fly ash geopolymer: Synergistic application of X-ray synchrotron tomography, nanoindentation, and homogenization models.” Cem. Concr. Res. 78 (Dec): 252–262. https://doi.org/10.1016/j.cemconres.2015.08.004.
Da Silva, W., J. Němeček, and P. Štemberk. 2014. “Methodology for nanoindentation-assisted prediction of macroscale elastic properties of high performance cementitious composites.” Cem. Concr. Compos. 45 (Jan): 57–68. https://doi.org/10.1016/j.cemconcomp.2013.09.013.
Demie, S., M. F. Nuruddin, and N. Shafiq. 2013. “Effects of micro-structure characteristics of interfacial transition zone on the compressive strength of self-compacting geopolymer concrete.” Constr. Build. Mater. 41 (Apr): 91–98. https://doi.org/10.1016/j.conbuildmat.2012.11.067.
Hain, M., and P. Wriggers. 2008. “Numerical homogenization of hardened cement paste.” Comput. Mech. 42 (2): 197–212. https://doi.org/10.1007/s00466-007-0211-9.
Harper, L. T., C. Qian, T. A. Turner, S. Li, and N. A. Warrior. 2012. “Representative volume elements for discontinuous carbon fibre composites. Part 2: Determining the critical size.” Compos. Sci. Technol. 72 (2): 204–210. https://doi.org/10.1016/j.compscitech.2011.11.003.
Hashin, Z. 1983. “Analysis of composite materials.” J. Appl. Mech. 50 (3): 481–505. https://doi.org/10.1115/1.3167081.
Hill, R. 1972. “On constitutive macro-variables for heterogeneous solids at finite strain.” Proc. R. Soc. London A 326 (1565): 131–147. https://doi.org/10.1098/rspa.1972.0001.
Karamnejad, A., V. P. Nguyen, and L. J. Sluys. 2013. “A multi-scale rate dependent crack model for quasi-brittle heterogeneous materials.” Eng. Fract. Mech. 104 (May): 96–113. https://doi.org/10.1016/j.engfracmech.2013.03.009.
Karamnejad, A., and L. J. Sluys. 2014. “A dispersive multi-scale crack model for quasi-brittle heterogeneous materials under impact loading.” Comput. Methods Appl. Mech. Eng. 278: 423–444. https://doi.org/10.1016/j.cma.2014.05.020.
Khedmati, M., Y. R. Kim, J. A. Turner, H. Alanazi, and C. Nguyen. 2018. “An integrated microstructural-nanomechanical-chemical approach to examine material-specific characteristics of cementitious interphase regions.” Mater. Charact. 138 (Apr): 154–164. https://doi.org/10.1016/j.matchar.2018.01.045.
Kim, Y., J. Lee, and J. Lutif. 2010. “Geometrical evaluation and experimental verification to determine representative volume elements of heterogeneous asphalt mixtures.” J. Test. Eval. 38 (6): 660–666.
Kim, Y., J. S. Lutif, and D. H. Allen. 2009. “Determining representative volume elements of asphalt concrete mixtures without damage.” Transp. Res. Rec. 2127: 52–59. https://doi.org/10.3141/2127-07.
Kim, Y., F. V. Souza, and J. E. S. L. Teixeira. 2013. “A two-way coupled multiscale model for predicting damage-associated performance of asphaltic roadways.” Comput. Mech. 51 (2): 187–201. https://doi.org/10.1007/s00466-012-0716-8.
Lane, D. S. 2004. Petrographic methods of examining hardened concrete. Washington, DC: USDOT.
Lecomte, I., C. Henrist, M. Liegeois, F. Maseri, A. Rulmont, and R. Cloots 2006. “(Micro)-structural comparison between geopolymers, alkali-activated slag cement and portland cement.” J. Eur. Ceram. Soc. 26 (16): 3739–3789.
Menčík, J., L. H. He, and J. Němeček. 2011. “Characterization of viscoelastic-plastic properties of solid polymers by instrumented indentation.” Polym. Test. 30 (1): 101–109. https://doi.org/10.1016/j.polymertesting.2010.11.006.
Mondal, P., S. P. Shah, and L. D. Marks. 2008. “Nanoscale characterization of cementitious materials.” ACI Mater. J. 105 (2): 174–179.
Mouret, M., A. Bascoul, and G. Escadeillas. 1999. “Microstructural features of concrete in relation to initial temperature—SEM and ESEM characterization.” Cem. Concr. Res. 29 (3): 369–375. https://doi.org/10.1016/S0008-8846(98)00160-4.
Němeček, J. 2009. “Creep effects in nanoindentation of hydrated phases of cement pastes.” Mater. Charact. 60 (9): 1028–1034. https://doi.org/10.1016/j.matchar.2009.04.008.
Němeček, J., V. Šmilauer, and L. Kopecký. 2009. “Characterization of alkali-activated fly-ash by nanoindentation.” Nanotechnol. Constr. 3: 337–343.
Němeček, J., V. Šmilauer, and L. Kopecký. 2011. “Nanoindentation characteristics of alkali-activated aluminosilicate materials.” Cem. Concr. Compos. 33 (2): 163–170. https://doi.org/10.1016/j.cemconcomp.2010.10.005.
Nguyen, V. P., M. Stroeven, and L. J. Sluys. 2012. “Multiscale failure modeling of concrete: Micromechanical modeling, discontinuous homogenization and parallel computations.” Comput. Methods Appl. Mech. Eng. 201: 139–156. https://doi.org/10.1016/j.cma.2011.09.014.
Oliver, W. C., and G. M. Pharr. 1992. “An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments.” J. Mater. Res. 7 (6): 1564–1583. https://doi.org/10.1557/JMR.1992.1564.
Pelisser, F., E. L. Guerrino, M. Menger, M. D. Michel, and J. A. Labrincha. 2013. “Micromechanical characterization of metakaolin-based geopolymers.” Constr. Build. Mater. 49 (Dec): 547–553. https://doi.org/10.1016/j.conbuildmat.2013.08.081.
Pichler, C., and R. Lackner. 2009. “Upscaling of viscoelastic properties of highly-filled composites: Investigation of matrix-inclusion-type morphologies with power-law viscoelastic material response.” Compos. Sci. Technol. 69 (14): 2410–2420. https://doi.org/10.1016/j.compscitech.2009.06.008.
Qian, Z., G. Ye, E. Schlangen, and K. van Breugel. 2011. “3D lattice fracture model: Application to cement paste at microscale.” Key Eng. Mater. 452–453: 65–68. https://doi.org/10.4028/www.scientific.net/KEM.452-453.65.
Qiao, P., and Y. Chen. 2008. “Cohesive fracture simulation and failure modes of FRP-concrete bonded interfaces.” Theor. Appl. Fract. Mech. 49 (2): 213–225. https://doi.org/10.1016/j.tafmec.2007.11.005.
Sakulich, A. R., and V. C. Li. 2011. “Nanoscale characterization of engineered cementitious composites (ECC).” Cem. Concr. Res. 41 (2): 169–175. https://doi.org/10.1016/j.cemconres.2010.11.001.
Scrivener, K. L. 2004. “Backscattered electron imaging of cementitious microstructures: Understanding and quantification.” Cem. Concr. Compos. 26 (8): 935–945. https://doi.org/10.1016/j.cemconcomp.2004.02.029.
Shi, X. S., F. G. Collins, X. L. Zhao, and Q. Y. Wang. 2012. “Mechanical properties and microstructure analysis of fly ash geopolymeric recycled concrete.” J. Hazard. Mater. 237: 20–29. https://doi.org/10.1016/j.jhazmat.2012.07.070.
Škvára, F., L. Kopecký, J. Nemecek, and Z. Bittnar. 2006. “Microstructure of geopolymer materials based on fly ash.” Ceramics-Silikaty 50 (4): 208–215.
Šmilauer, V., P. Hlaváček, F. Škvára, R. Šulc, L. Kopecký, and J. Němeček. 2011. “Micromechanical multiscale model for alkali activation of fly ash and metakaolin.” J. Mater. Sci. 46 (20): 6545–6555. https://doi.org/10.1007/s10853-011-5601-x.
Somna, K., C. Jaturapitakkul, P. Kajitvichyanukul, and P. Chindaprasirt. 2011. “NaOH-activated ground fly ash geopolymer cured at ambient temperature.” Fuel 90 (6): 2118–2124. https://doi.org/10.1016/j.fuel.2011.01.018.
Souza, F. V. 2009. “Multiscale modeling of impact on heterogeneous viscoelastic solids with evolving microcracks.” Engineering Mechanics dissertations and theses, Univ. of Nebraska-Lincoln.
Souza, F. V., and D. H. Allen. 2010. “Multiscale modeling of impact on heterogeneous viscoelastic solids containing evolving microcracks.” Int. J. Numer. Methods Eng. 82 (4): 464–504. https://doi.org/10.1002/nme.2773.
Souza, F. V., D. H. Allen, and Y. Kim. 2008. “Multiscale model for predicting damage evolution in composites due to impact loading.” Compos. Sci. Technol. 68 (13): 2624–2634. https://doi.org/10.1016/j.compscitech.2008.04.043.
Tirado, C., K. Y. Gamez-Rios, A. Fathi, M. Mazari, and S. Nazarian. 2017. “Simulation of lightweight deflectometer measurements considering nonlinear behavior of geomaterials.” Transp. Res. Rec. 2641: 58–65. https://doi.org/10.3141/2641-08.
Trtik, P., J. Kaufmann, and U. Volz. 2012. “On the use of peak-force tapping atomic force microscopy for quantification of the local elastic modulus in hardened cement paste.” Cem. Concr. Res. 42 (1): 215–221. https://doi.org/10.1016/j.cemconres.2011.08.009.
Winnefeld, F., A. Leemann, M. Lucuk, P. Svoboda, and M. Neuroth. 2010. “Assessment of phase formation in alkali activated low and high calcium fly ashes in building materials.” Constr. Build. Mater. 24 (6): 1086–1093. https://doi.org/10.1016/j.conbuildmat.2009.11.007.
You, T., Y. Kim, and T. Park. 2017. “Two-way coupled multiscale model for predicting mechanical behavior of bone subjected to viscoelastic deformation and fracture damage.” J. Eng. Mater. Technol. 139 (2): 021016. https://doi.org/10.1115/1.4035618.
Zhou, F., J. F. Molinari, and T. Shioya. 2005. “A rate-dependent cohesive model for simulating dynamic crack propagation in brittle materials.” Eng. Fract. Mech. 72 (9): 1383–1410. https://doi.org/10.1016/j.engfracmech.2004.10.011.
Information & Authors
Information
Published In
Journal of Engineering Mechanics
Volume 144 • Issue 10 • October 2018
Copyright
©2018 American Society of Civil Engineers.
History
Received: Sep 12, 2017
Accepted: Apr 30, 2018
Published online: Jul 31, 2018
Published in print: Oct 1, 2018
Discussion open until: Dec 31, 2018
Authors
Metrics & Citations
Metrics
Citations
Download citation
If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download.