journal article·2025-12-24Open access

A Multiscale Analysis Framework for Correlating between Microstructure and Mechanical Properties of Cement Paste

Yong-Woo Kim, Se-Yun Kim, Jae-Hong Lim, Tong-Seok Han

Abstract

Evaluating the responses of cementitious materials with complex microstructures through experiments alone requires substantial time and effort. To address this, a comprehensive multiscale analysis framework combining experiments and simulations was adopted to identify correlations between microstructural features and mechanical properties. The framework comprises four modules: fitting/normalization, phase identification, virtual specimen generation, and finite element method (FEM) simulation. X-ray computed tomography (CT) and nanoindentation data were normalized, and their correlation was established using cumulative distribution functions (CDF). Based on this relationship, mechanical properties were inferred from CT data, and virtual specimens were generated for subsequent FEM simulation. The FEM module was calibrated by comparing simulated results with experimental splitting tensile tests. High-resolution micro-CT enabled detailed microstructural characterization for virtual specimen generation. The results demonstrated that porosity and pore connectivity are strongly correlated with the mechanical behavior of cement paste. Overall, the proposed multiscale analysis framework offers a robust and scalable approach for microstructural analysis and is expected to enhance the efficiency of material characterization and development process.
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Research context

OpenAlex topics: Composite Material Mechanics · Concrete and Cement Materials Research · Innovative concrete reinforcement materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Civil and Environmental Engineering, Yonsei University, Seoul 03722, Republic of Korea.

Department of Civil Engineering, Technische Universität Berlin, Berlin 13355, Germany.

Industrial Technology Convergence Center, Pohang Accelerator Laboratory, Pohang, 37673, Republic of Korea.

References (49)

Show source-provided references
1. 1) Abdollahi, A., & Arias, I. (2012). Phase-field modeling of crack propagation in piezoelectric and ferroelectric materials with different electromechanical crack conditions. Journal of the Mechanics and Physics of Solids, 60(12), 2100-2126.10.1016/j.jmps.2012.06.014 ↗
2. 2) ASTM. (2011). Standard test method for splitting tensile strength of cylindrical concrete specimens (ASTM C496-96). West Conshohocken, Pennsylvania: ASTM International.
3. 3) Batool, F., Khan, M. S., & Bindiganavile, V. (2021). Characterization of 3D microstructure, thermal conductivity, and heat flow of cement-based foam using imaging technique. Frontiers of Structural and Civil Engineering, 15(3), 643-651.10.1007/s11709-021-0709-9 ↗
4. 4) Brisard, S., Serdar, M., & Monteiro, P. J. (2020). Multiscale X-ray tomography of cementitious materials: A review. Cement and Concrete Research, 128, 105824.10.1016/j.cemconres.2019.105824 ↗
5. 5) Carniero, F. L. L. B., & Barcellos, A. (1949). Résistance à la traction des batons. Rio de Janeiro: Instituto National de Technologia. (in French)
6. 6) Chung, S. Y., Han, T. S., & Kim, S. Y. (2015). Reconstruction and evaluation of the air permeability of a cement paste specimen with a void distribution gradient using CT images and numerical methods. Construction and Building Materials, 87, 45-53.10.1016/j.conbuildmat.2015.03.103 ↗
7. 7) Chung, S. Y., Han, T. S., Kim, S. Y., & Lee, T. H. (2014). Investigation of the permeability of porous concrete reconstructed using probabilistic description methods. Construction and Building Materials, 66, 760-770.10.1016/j.conbuildmat.2014.06.013 ↗
8. 8) Chung, S. Y., Han, T. S., Kim, S. Y., Kim, J. H. J., Youm, K. S., & Lim, J. H. (2016). Evaluation of effect of glass beads on thermal conductivity of insulating concrete using micro CT images and probability functions. Cement and Concrete Composites, 65, 150-162.10.1016/j.cemconcomp.2015.10.011 ↗
9. 9) Chung, S. Y., Han, T. S., Yun, T. S., & Youm, K. S. (2013). Evaluation of the anisotropy of the void distribution and the stiffness of lightweight aggregates using CT imaging. Construction and Building Materials, 48, 998-1008.10.1016/j.conbuildmat.2013.07.082 ↗
10. 10) Chung, S. Y., Kim, J. S., Stephan, D., & Han, T. S. (2019). Overview of the use of micro-computed tomography (micro-CT) to investigate the relation between the material characteristics and properties of cement-based materials. Construction and Building Materials, 229, 116843.10.1016/j.conbuildmat.2019.116843 ↗
11. 11) Erdem, S., Gürbüz, E., & Uysal, M. (2018). Micro-mechanical analysis and X-ray computed tomography quantification of damage in concrete with industrial by-products and construction waste. Journal of Cleaner Production, 189, 933-940.10.1016/j.jclepro.2018.04.089 ↗
12. 12) Gallucci, E., Scrivener, K., Groso, A., Stampanoni, M., & Margaritondo, G. (2007). 3D experimental investigation of the microstructure of cement pastes using synchrotron X-ray microtomography (μCT). Cement and Concrete Research, 37(3), 360-368.10.1016/j.cemconres.2006.10.012 ↗
13. 13) Georget, F., Wilson, W., & Scrivener, K. L. (2021). edxia: Microstructure characterisation from quantified SEM-EDS hypermaps. Cement and Concrete Research, 141, 106327.10.1016/j.cemconres.2020.106327 ↗
14. 14) Han, T. S., Eum, D., Kim, S. Y., Kim, J. S., Lim, J. H., Park, K., & Stephan, D. (2023). Multi-scale analysis framework for predicting tensile strength of cement paste by combining experiments and simulations. Cement and Concrete Composites, 139, 105006.10.1016/j.cemconcomp.2023.105006 ↗
15. 15) Han, T. S., Zhang, X., Kim, J. S., Chung, S. Y., Lim, J. H., & Linder, C. (2018). Area of lineal-path function for describing the pore microstructures of cement paste and their relations to the mechanical properties simulated from μ-CT microstructures. Cement and Concrete Composites, 89, 1-17.10.1016/j.cemconcomp.2018.02.008 ↗
16. 16) Hong, S. W., Kim, S. Y., Park, K., Terada, K., Lee, H., & Han, T. S. (2024). Mechanical property evaluation of 3D multi-phase cement paste microstructures reconstructed using generative adversarial networks. Cement and Concrete Composites, 152, 105646.10.1016/j.cemconcomp.2024.105646 ↗
17. 17) Huang, Y., Yan, D., Yang, Z., & Liu, G. (2016). 2D and 3D homogenization and fracture analysis of concrete based on in-situ X-ray computed tomography images and Monte Carlo simulations. Engineering Fracture Mechanics, 163, 37-54.10.1016/j.engfracmech.2016.06.018 ↗
18. 18) Kim, H. T., Szilágyi, V., Kis, Z., Szentmiklósi, L., Glinicki, M. A., & Park, K. (2021). Reconstruction of concrete microstructure using complementarity of X-ray and neutron tomography. Cement and Concrete Research, 148, 106540.10.1016/j.cemconres.2021.106540 ↗
19. 19) Kim, J. S., Chung, S. Y., Stephan, D., & Han, T. S. (2019a). Issues on characterization of cement paste microstructures from μ-CT and virtual experiment framework for evaluating mechanical properties. Construction and Building Materials, 202, 82-102.10.1016/j.conbuildmat.2019.01.030 ↗
20. 20) Kim, J. S., Kim, J. H., & Han, T. S. (2019b). Microstructure characterization of cement paste from micro-CT and correlations with mechanical properties evaluated from virtual and real experiments. Materials Characterization, 155, 109807.10.1016/j.matchar.2019.109807 ↗
21. 21) Kim, J. S., Lim, J. H., Stephan, D., Park, K., & Han, T. S. (2022). Mechanical behavior comparison of single and multiple phase models for cement paste using micro-CT images and nanoindentation. Construction and Building Materials, 342, 127938.10.1016/j.conbuildmat.2022.127938 ↗
22. 22) Kim, S. Y., Eum, D., Lee, H., Park, K., Terada, K., & Han, T. S. (2024). Evaluating tensile strength of cement paste using multiscale modeling and in-situ splitting tests with micro-CT. Construction and Building Materials, 411, 134642.10.1016/j.conbuildmat.2023.134642 ↗
23. 23) Kim, S. Y., Kim, J. S., Kang, J. W., & Han, T. S. (2019c). Construction of virtual interfacial transition zone (ITZ) samples of hydrated cement paste using extended stochastic optimization. Cement and Concrete Composites, 102, 84-93.10.1016/j.cemconcomp.2019.04.012 ↗
24. 24) Lu, H., Alymov, E., Shah, S., & Peterson, K. (2017). Measurement of air void system in lightweight concrete by X-ray computed tomography. Construction and Building Materials, 152, 467-483.10.1016/j.conbuildmat.2017.06.180 ↗
25. 25) Liu, C., Chen, Z., Lv, Q., Liang, M., & Zhang, Y. (2025). Multiscale pore structure segmentation of cementitious materials using light-weight and modified VGG-Unet network. Journal of Building Engineering, 111, 113618.10.1016/j.jobe.2025.113618 ↗
26. 26) Liu, M., Qiao, P., & Sun, L. (2021). Dependence of chloride ion diffusivity on evolution of pore-structures in freeze-thawed shotcrete: Multiscale characterization and modeling. Cement and Concrete Composites, 123, 104222.10.1016/j.cemconcomp.2021.104222 ↗
27. 27) Lu, B., & Torquato, S. (1992). Lineal-path function for random heterogeneous materials. Physical Review A, 45(2), 922.10.1103/PhysRevA.45.922 ↗
28. 28) Masad, E., Al Omari, A., & Chen, H. C. (2007). Computations of permeability tensor coefficients and anisotropy of asphalt concrete based on microstructure simulation of fluid flow. Computational Materials Science, 40(4), 449-459.10.1016/j.commatsci.2007.01.015 ↗
29. 29) Miehe, C., Schaenzel, L. M., & Ulmer, H. (2015). Phase field modeling of fracture in multi-physics problems. Part I. Balance of crack surface and failure criteria for brittle crack propagation in thermo-elastic solids. Computer Methods in Applied Mechanics and Engineering, 294, 449-485.10.1016/j.cma.2014.11.016 ↗
30. 30) Miller, M., Bobko, C., Vandamme, M., & Ulm, F. J. (2008). Surface roughness criteria for cement paste nanoindentation. Cement and Concrete Research, 38(4), 467-476.10.1016/j.cemconres.2007.11.014 ↗
31. 31) Obara, Y., Tanikura, I., Jung, J., Shintani, R., & Watanabe, S. (2016). Evaluation of micro-damage of concrete specimens under cyclic uniaxial loading by X-ray CT method. Journal of Advanced Concrete Technology, 14(8), 433-443.10.3151/jact.14.433 ↗
32. 32) Otsu, N. (1975). A threshold selection method from gray-level histograms. Automatica, 11(285-296), 23-27.
33. 33) Pavani, H. P., Tadepalli, T., & Agarwal, A. K. (2019). Estimation of porosity and pore distribution in hydrated Portland cement at elevated temperatures using synchrotron micro tomography. Journal of Advanced Concrete Technology, 17(1), 34-45.10.3151/jact.17.34 ↗
34. 34) Promentilla, M. A. B., & Sugiyama, T. (2010). X-ray microtomography of mortars exposed to freezing-thawing action. Journal of Advanced Concrete Technology, 8(2), 97-111.10.3151/jact.8.97 ↗
35. 35) Promentilla, M. A. B., Sugiyama, T., Hitomi, T., & Takeda, N. (2008). Characterizing the 3D pore structure of hardened cement paste with synchrotron microtomography. Journal of Advanced Concrete Technology, 6(2), 273-286.10.3151/jact.6.273 ↗
36. 36) Shapiro, S. S., & Wilk, M. B. (1965). An analysis of variance test for normality (complete samples). Biometrika, 52(3-4), 591-611.10.1093/biomet/52.3-4.591 ↗
37. 37) Sugiyama, T., & Promentilla, M. A. B. (2021). Advancing concrete durability research through X-ray computed tomography. Journal of Advanced Concrete Technology, 19(6), 730-755.10.3151/jact.19.730 ↗
38. 38) Song, Y., Davy, C. A., Troadec, D., & Bourbon, X. (2019). Pore network of cement hydrates in a high performance concrete by 3D FIB/SEM - Implications for macroscopic fluid transport. Cement and Concrete Research, 115, 308-326.10.1016/j.cemconres.2018.08.004 ↗
39. 39) Torquato, S. (2002). Random heterogeneous materials: Microstructure and macroscopic properties. New York: Springer-Verlag.10.1007/978-1-4757-6355-3 ↗
40. 40) Wu, T., Temizer, I., & Wriggers, P. (2013). Computational thermal homogenization of concrete. Cement and Concrete Composites, 35(1), 59-70.10.1016/j.cemconcomp.2012.08.026 ↗
41. 41) Yang, X., Kuru, E., Gingras, M., & Iremonger, S. (2019). CT-CFD integrated investigation into porosity and permeability of neat early-age well cement at downhole condition. Construction and Building Materials, 205, 73-86.10.1016/j.conbuildmat.2019.02.004 ↗
42. 42) Yu, P., Huang, H., He, S., & Ren, Z. (2024). A multiscale methods for prediction of the elastic properties of portland cement blended with fly ash based on X-CT and hydration model. Journal of Building Engineering, 89, 109179.10.1016/j.jobe.2024.109179 ↗
43. 43) Zhang, H., Šavija, B., Luković, M., & Schlangen, E. (2019). Experimentally informed micromechanical modelling of cement paste: An approach coupling X-ray computed tomography and statistical nanoindentation. Composites Part B: Engineering, 157, 109-122.10.1016/j.compositesb.2018.08.102 ↗
44. 44) Zhang, H., Šavija, B., Chaves Figueiredo, S., Lukovic, M., & Schlangen, E. (2016). Microscale testing and modelling of cement paste as basis for multi-scale modelling. Materials, 9(11), 0907.10.3390/ma9110907 ↗
45. 45) Zhang, H., Šavija, B., & Schlangen, E. (2018a). Combined experimental and numerical study on micro-cube indentation splitting test of cement paste. Engineering Fracture Mechanics, 199, 773-786.10.1016/j.engfracmech.2018.04.018 ↗
46. 46) Zhang, H., Šavija, B., Xu, Y., & Schlangen, E. (2018b). Size effect on splitting strength of hardened cement paste: Experimental and numerical study. Cement and Concrete Composites, 94, 264-276.10.1016/j.cemconcomp.2018.09.018 ↗
47. 47) Zhang, M. (2017). Pore-scale modelling of relative permeability of cementitious materials using X-ray computed microtomography images. Cement and Concrete Research, 95, 18-29.10.1016/j.cemconres.2017.02.005 ↗
48. 48) Zhang, M., & Jivkov, A. P. (2014). Microstructure-informed modelling of damage evolution in cement paste. Construction and Building Materials, 66, 731-742.10.1016/j.conbuildmat.2014.06.017 ↗
49. 49) Zhang, M., He, Y., Ye, G., Lange, D. A., & Van Breugel, K. (2012). Computational investigation on mass diffusivity in Portland cement paste based on X-ray computed microtomography (μCT) image. Construction and Building Materials, 27(1), 472-481.10.1016/j.conbuildmat.2011.07.017 ↗