Multifunctional property predictions of nano-engineered cementitious composites for high-performance concrete structures using hybrid machine learning techniques

Abstract

The interest in nano-engineered cements basically brought by the demands on increasing the performance of concrete structures in challenging applications, such as extreme thermal, electrical, and electromagnetic environments. Traditional cementitious materials lack technological capabilities regarding thermal conductivity, electrical resistivity, mechanical strength, and electromagnetic shielding. Such limitations prevent their application in high-performance and multifunctional concrete structures, which are increasingly required in modern construction. The high-dimensional complexity of multivariable optimization of multiple properties makes most of the current approaches unsuitable, and so requires new ways to predict, model, and optimize the performance of such advanced materials. In the present contribution, we introduce a holistic approach to the optimization of nano-engineered cements composites incorporating epoxy resin, nano titanium dioxide, carbon nanotubes, and portland cement. Advanced techniques of machine learning used include random forest regressor for multi-output property prediction and eXtreme gradient boosting, an implementation of the gradient-boosting algorithm that proved particularly useful in multi-objective optimization, for electrical codes’ thermal and mechanical properties. Bayesian optimization is also employed to decrease the experimental trials and fine-tune the processing parameters; high-dimensional input space is reduced using principal component analysis to attain optimal model performance. Graph neural networks are utilized for modeling structure-property relations, and Gaussian processes serve as a surrogate model mimicking the outcome of finite element analysis simulation effectively reducing delays at the computational level. The model yields noteworthy improvements: resistivity decreases by 30%–40%, thermal conductivity increases by 25%–30%, and tensile strength increases by 15%–20%. These enhancements make nano-engineered cements composites highly promising for multifunctional applications such as vibration absorption and electromagnetic shielding, which presents the need for smart, high-performance concrete structures for advanced applications in construction.

Graphical abstract

Keywords

nano-engineered cements / epoxy resin / nano titanium dioxide / carbon nanotubes / machine learning / Bayesian optimization

References

[1] Tangtakabi A , Ramesht M H , Pahlaviani A G , Pourrostam T . Investigation on chloride-induced corrosion reduction strategies for offshore reinforced concrete structures. Transactions of Civil Engineering, 2024, 48(3): 1245–1260

[2] Saradar A , Rezakhani Y , Rahmati K , Johari Majd F , Mohtasham Moein M , Karakouzian M . Investigating the properties and microstructure of high-performance cement composites with nano-silica, silica fume, and ultra-fine TiO₂. Innovative Infrastructure Solutions, 2024, 9(4): 84

[3] Zhao Z , El-Naggar A , Kau J , Olson C , Tomlinson D , Chang S X . Biochar affects compressive strength of portland cement composites: a meta-analysis. Biochar, 2024, 6(1): 21

[4] Sidek M N M , Saman H M , Arshad M F . The effect of nano engineered material (NEM) in enhancing the engineering properties of ultra high-performance concrete (UHPC). Journal of Building Pathology and Rehabilitation, 2024, 9(1): 58

[5] Humur G H , Çevik A . Magnesium sulfate resistance of strain-hardening fiber reinforced slag and fly ash-based engineered geopolymer composites. Arabian Journal for Science and Engineering, 2024, 49(4): 5909–5925

[6] Ślosarczyk A , Klapiszewska I , Parus A , Balicki S , Kornaus K , Gapiński B , Wieczorowski M , Wilk K A , Jesionowski T , Klapiszewski Ł . Antimicrobial action and chemical and physical properties of CuO-doped engineered cementitious composites. Scientific Reports, 2023, 13(1): 10404

[7] Ziada M . The effect of nano-TiO₂ and nano-Al₂O₃ on mechanical, microstructure properties and high-temperature resistance of geopolymer mortars. Arabian Journal for Science and Engineering, 2025, 50(16): 12977–12996

[8] Sasmal S , Rao R , Gautham S . Nano-scale investigations and engineering to develop smart cementitious composite with embedded sensing capability for multi-metric structural health monitoring. Transactions of the Indian National Academy of Engineering, 2023, 8(4): 585–606

[9] Reddy N A , Chandana P S . Microstructural analysis and densification of ordinary Portland cement mortars incorporated with minimal nano-TiO₂: Intermixing and surface coating on both fresh and hardened surfaces. Discover Materials, 2024, 4(1): 28

[10] Salami B A , Ibrahim M , Al-Osta M A , Nasir M , Ali M R , Bahraq A A , Wasiu A . Engineered and green natural pozzolan-nano silica-based alkali-activated concrete: Shrinkage characteristics and life cycle assessment. Environmental Science and Pollution Research International, 2023, 30(7): 17840–17853

[11] Sheoran R . , Lakra, N, Luhach A, Saharan B S, Debnath N, Sharma P. Nano-engineered solutions for sustainable environmental cleanup. BioNanoScience, 2024, 14(4): 4083–4107

[12] Liu L , Xu J , Wang Y , Yin T , Chu H . Electrical and piezoresistive properties of steel fiber cement-based composites aligned by a magnetic field. Journal of Wuhan University of Technology. Materials Science Edition, 2022, 37(2): 229–240

[13] Yu X , Zhang Q , Zhang X , Luo M . Microbial self-healing of cracks in cement-based materials and its influencing factors. Frontiers of Structural and Civil Engineering, 2023, 17(11): 1630–1642

[14] Chen Y , Zheng Y , Zhou Y , Zhang W , Li W , She W , Liu J , Miao C . Multi-layered cement-hydrogel composite with high toughness, low thermal conductivity, and self-healing capability. Nature Communications, 2023, 14(1): 3438

[15] Subburaj V , Chokkalingam R B , Prabhu P , Balaji V . Preparation and characterization of biocement mortar containing silane-treated nano-Si₃N₄ prepared from rice husk ash. Silicon, 2023, 15: 1669–1677

[16] Aziz M A , Zubair M , Alotaibi K S , Nasir M , Manzar M S , Hussein T N , Alharthi Y M . Development and evaluation of engineered nanocellulose-based mortar synthesized using hydrolysis of strong and weak acids. Arabian Journal for Science and Engineering, 2023, 48(10): 13605–13614

[17] Cruz G , Dizon J R C , Farzadnia N , Zhou H , Margarito M , Garcia J A , Liza F P , Advincula R C . Performance, applications, and sustainability of 3D-printed cement and other geomaterials. MRS Communications, 2023, 13(3): 385–399

[18] Udebhulu O D , Aladeitan Y , Azevedo R C , De Tomi G . A review of cement sheath integrity evaluation techniques for carbon dioxide storage. Journal of Petroleum Exploration and Production Technology, 2024, 14(1): 1–23

[19] Zhang Y , He M , Wang L , Yan J , Ma B , Zhu X , Ok Y S , Mechtcherine V , Tsang D C W . Biochar as construction materials for achieving carbon neutrality. Biochar, 2022, 4(1): 59

[20] Kumar G S , Rawat P , Goswami A . A review on photocatalytic cementious composites for environment remediation. International Journal of Environmental Science and Technology, 2025, 22(5): 3983–4006

[21] Gao S , Hao D , Zhu Y , Wang Z . Compression and shear properties of unreinforced masonry structures reinforced by ECC/HECC subjected to high temperatures. KSCE Journal of Civil Engineering, 2023, 27(2): 751–768

[22] Ngouloure Z N M , Kamseu E , Moungam L M B , Tchakoute H K , Valentini L , Leonelli C . Design of porous geopolymers for hygrothermal applications: role of nano and meso porosity. Silicon, 2022, 14(15): 10045–10059

[23] Jaf P T , Razzaq A A , Ali J A . The state-of-the-art review on the lost circulation phenomenon, its mechanisms, and the application of nano and natural LCM in the water-based drilling fluid. Arabian Journal of Geosciences, 2023, 16(1): 32

[24] SachitSTTRameshA RBA KBanagarD VBongaleKumar. Studies on mechanical and tribological behaviour of natural and synthetic based hybrid polymer matrix composites. Journal of The Institution of Engineers: Series D, 2024: 1–15

[25] Krishnan M R , Omar H , Almohsin A , Alsharaeh E H . An overview on nanosilica–polymer composites as high-performance functional materials in oil fields. Polymer Bulletin, 2024, 81(5): 3883–3933

[26] Harsh H , Moghal A A B , Rasheed R M , Almajed A . State-of-the-art review on the role and applicability of select nano-compounds in geotechnical and geoenvironmental applications. Arabian Journal for Science and Engineering, 2023, 48(4): 4149–4173

[27] Turker H T . Effect of size on biaxial flexural strength for cement-based materials by using a triangular plate method. Frontiers of Structural and Civil Engineering, 2022, 16(8): 1017–1028

[28] Ahmad S A , Ahmed H U , Rafiq S K , Mohammed B K . Smart predictive modeling for compressive strength in sisal-fiber-reinforced-concrete composites: harnessing SVM, GP, and ANN techniques. Multiscale Science and Engineering, 2024, 6(1): 95–111

[29] Li H , Liebscher M , Yang J , Zhang Y , Mechtcherine V . Influence of electrophoretic deposition of micro- or nanosized silica particles on the microstructure of carbon fibers and their bond behavior with cementitious matrices. Materials and Structures, 2024, 57(5): 107

[30] Zubair M , Manzar M S , El-Qanni A , Haroon H , Alqahtani H A , Al-Ejji M , Mu’azu N D , AlGhamdi J M , Haladu S A , Al-Hashim D . . Biochar-layered double hydroxide composites for the adsorption of tetracycline from water: synthesis, process modeling, and mechanism. Environmental Science and Pollution Research International, 2023, 30(50): 109162–109180

[31] Liang L , Zhang X , Liu Q , Li X , Shang X . Cellulose nanofibrils for the performance improvement of ultra-high ductility cementitious composites. Cellulose, 2022, 29(3): 1705–1725

[32] Regkouzas P , Sygellou L , Diamadopoulos E . Production and characterization of graphene oxide-engineered biochars and application for organic micro-pollutant adsorption from aqueous solutions. Environmental Science and Pollution Research International, 2023, 30(37): 87810–87829

[33] Zhang C , Chen M , Liu R , Li X , Yan J , Zhu Z , Fan F . Synergistic effect of PVA fiber and PTB emulsion on mechanical properties of cementitious composites for damage repair in operating tunnels. KSCE Journal of Civil Engineering, 2022, 26(12): 5222–5239

[34] Hendricks N , Olatunji O , Ofori I , Gumbi B P . Occurrence, fate, and impact of engineered metal/carbonaceous nanomaterials in the environment, detection, and quantitation methods. International Journal of Environmental Science and Technology, 2023, 20(11): 12937–12954

[35] SalamM AAlsultanyF HAl-BermanyESabriM MAbdaliKAhmedN M. Impact of graphene oxide nanosheets and polymethyl methacrylate on nano/hybrid-based restoration dental filler composites: ultrasound behavior and antibacterial activity. Journal of Ultrasound, 2024 (in press)

[36] Naguib G , Mously H , Mazhar J , Alkanfari I , Binmahfooz A , Zahran M , Hamed M T . Bond strength and surface roughness assessment of novel antimicrobial polymeric coated dental cement. Discover Nano, 2024, 19(1): 123

[37] Aygun B F , Bastan Z , Bilir T . Review and outlook of self-sensing, self-healing, piezoelectric pozzolans, and piezoelectric fibers in “smart” engineered cementitious composites (ECC). Civil Engineering, 2023, 47(2): 639–662

[38] Yang B , Hu X , Qiao H . Enhancing durability of concrete in saline soil with nano-CaCO₃ modification: Investigation and reliability analysis. KSCE Journal of Civil Engineering, 2024, 28(9): 3791–3804

[39] Hoque M , Kamal S , Raghunath S , Foster E J . Unraveling lignin degradation in fibre cement via multidimensional fluorometry. Scientific Reports, 2023, 13(1): 8385

[40] Uddin M N , Al-Amin S . Revolutionizing engineered cementitious composite materials (ECC): The impact of XGBoost-SHAP analysis on polyvinyl alcohol (PVA) based ECC predictions. Low-carbon Materials and Green Construction, 2024, 2(1): 11

[41] Vairagade V S , Dhale S A , Joshi K V , Waje M G . Leveraging an integrated multivariate analytical approach towards strength enhancement of fly ash-based concrete. Multiscale and Multidisciplinary Modeling, Experiments and Design, 2025, 8(1): 127

[42] Pande P B , Dhengare S W , Raut J M , Bhagat R M , Bahoria B V , Shelke N , Nair S , Vairagade V S . Integrated hybrid machine learning techniques and multiscale modeling towards evaluating the influence of nano-material on strength of concrete. Multiscale and Multidisciplinary Modeling, Experiments and Design, 2025, 8(1): 26

[43] Bahoria B V , Pande P B , Sagar W , Dhengare S W , Raut J M , Bhagat R M , Shelke N M , Uparkar S S , Vairagade V S . Predictive models for properties of hybrid blended modified sustainable concrete incorporating nano-silica, basalt fibers, and recycled aggregates: Application of advanced artificial intelligence techniques. Nano-Structures & Nano-Objects, 2024, 40: 101373

[44] HanBDingSWangJOuJ. Nano-Engineered Cementitious Composites. Singapore: Springer, 2019

[45] Han B , Li Z , Zhang L , Zeng S , Yu X , Han B , Ou J . Reactive powder concrete reinforced with nano SiO₂-coated TiO₂. Construction and Building Materials, 2017, 148: 104–112

[46] VairagadeV SBahoriaB VIsleemH FShelkeNMungleN P. Strength and durability predictions of ternary blended nano-engineered high-performance concrete: Application of hybrid machine learning techniques with bio-inspired optimization. Engineering Applications of Artificial Intelligence, 2025, 148: 110470

[47] Mai H V T , Nguyen M H , Trinh S H , Ly H B . Optimization of machine learning models for predicting the compressive strength of fiber-reinforced self-compacting concrete. Frontiers of Structural and Civil Engineering, 2023, 17(2): 284–305

[48] Noureldin M , Ali T , Kim J . Machine learning-based seismic assessment of framed structures with soil-structure interaction. Frontiers of Structural and Civil Engineering, 2023, 17(2): 205–223

[49] Qiong T , Jha I , Bahrami A , Isleem H F , Kumar R , Samui P . Proposed numerical and machine learning models for fiber-reinforced polymer concrete-steel hollow and solid elliptical columns. Frontiers of Structural and Civil Engineering, 2024, 18(8): 1169–1194

RIGHTS & PERMISSIONS

Higher Education Press