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<p>The ITZ in a cementitious composite governs its mechanical and transport properties, making accurate characterisation of ITZ essential for understanding macroscale behaviour. However, the formation of ITZ is governed by complex interactions between several factors, such as cement particle size and domain scale, making predictive modelling of ITZ characteristics challenging. This study presents a computational framework for developing analytical predictive models of ITZ thickness. Monte Carlo simulations were conducted across varying representative area geometries and cement phase properties. The influence of various parameters was studied using OFAT sensitivity analysis and coefficient of variation, followed by dimensional analysis using Buckingham’s Pi theorem to formulate seven governing dimensionless parameters. This research provides physical insights into ITZ formation and scale-dependent predictive models for ITZ characterisation. Multi-scale analysis revealed three distinct behavioural regimes, viz., boundary-dominated, critical transition, and representative. Regime-specific power law models achieved <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(R^2\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mi>R</mi> <mn>2</mn> </msup> </math></EquationSource> </InlineEquation> values between 0.67 and 0.71, and predictions ranged between <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\sim\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>∼</mo> </math></EquationSource> </InlineEquation>3–49&#xa0;μm, which lies well within the experimentally reported range.</p>

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Dimensional analysis-based predictive modeling of interfacial transition zone thickness in cement composites

  • 期刊论文

  • 发表日期：

    2026年6月23日

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  • Dinesh Samal,
  • Sonalisa Ray,
  • Hemalatha Thiyagarajan

摘要

The ITZ in a cementitious composite governs its mechanical and transport properties, making accurate characterisation of ITZ essential for understanding macroscale behaviour. However, the formation of ITZ is governed by complex interactions between several factors, such as cement particle size and domain scale, making predictive modelling of ITZ characteristics challenging. This study presents a computational framework for developing analytical predictive models of ITZ thickness. Monte Carlo simulations were conducted across varying representative area geometries and cement phase properties. The influence of various parameters was studied using OFAT sensitivity analysis and coefficient of variation, followed by dimensional analysis using Buckingham’s Pi theorem to formulate seven governing dimensionless parameters. This research provides physical insights into ITZ formation and scale-dependent predictive models for ITZ characterisation. Multi-scale analysis revealed three distinct behavioural regimes, viz., boundary-dominated, critical transition, and representative. Regime-specific power law models achieved \(R^2\) R 2 values between 0.67 and 0.71, and predictions ranged between \(\sim\) ∼ 3–49 μm, which lies well within the experimentally reported range.