Modeling and simulation of alkali-activated materials (AAMs): A critical review

Yibing Zuo*, Yun Chen, Chen Liu, Yidong Gan, Luise Göbel, Guang Ye, John L. Provis

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

Abstract

Alkali-activated materials (AAMs) are a class of potentially eco-friendly construction materials that can contribute to reduce the environmental impact of the construction sector by offering an alternative to Portland cement (PC). With the rapid development of both computational capabilities and theoretical insights into alkali-activation reaction processes, there has been a surge in research activities worldwide, leading to a growing demand for computational methods that can describe different characteristics of AAMs. This review summarizes the collective efforts made in the past two decades on this topic, and highlights the most relevant results and advances in the aspects of atomistic simulation, thermodynamic modeling, microstructure/−based simulation, and multi-scale modeling. The gaps and challenges in current numerical research on AAMs are pointed out and discussed in comparison with PC-based materials. This review aims to provide a critical overview of the state-of-the-art in modeling and simulating AAMs, while also outlining potential avenues for future development.

Original languageEnglish
Article number107769
Number of pages19
JournalCement and Concrete Research
Volume189
DOIs
Publication statusPublished - 2024

Bibliographical note

Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

Keywords

  • Alkali-activated material
  • Atomistic simulation
  • Microstructure
  • Multi-scale modeling
  • Thermodynamics

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