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

IF 10.9 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research Pub Date : 2024-12-10 DOI:10.1016/j.cemconres.2024.107769

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

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引用次数: 0

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.

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碱活化材料（AAMs）的建模与仿真：综述

碱活化材料（AAMs）是一类潜在的环保建筑材料，可以通过提供波特兰水泥（PC）的替代品来减少建筑部门对环境的影响。随着对碱活化反应过程的计算能力和理论见解的快速发展，世界范围内的研究活动激增，导致对能够描述AAMs不同特征的计算方法的需求不断增长。本文总结了近二十年来在这一问题上所做的努力，重点介绍了在原子模拟、热力学模拟、基于微观结构的模拟和多尺度模拟等方面最相关的结果和进展。通过与pc基材料的比较，指出了目前aam数值研究的不足和挑战。本综述旨在对AAMs的建模和仿真技术进行综述，同时概述未来发展的潜在途径。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Cement and Concrete Research 工程技术-材料科学：综合

CiteScore

20.90

自引率

12.30%

发文量

318

审稿时长

53 days

期刊介绍： Cement and Concrete Research is dedicated to publishing top-notch research on the materials science and engineering of cement, cement composites, mortars, concrete, and related materials incorporating cement or other mineral binders. The journal prioritizes reporting significant findings in research on the properties and performance of cementitious materials. It also covers novel experimental techniques, the latest analytical and modeling methods, examination and diagnosis of actual cement and concrete structures, and the exploration of potential improvements in materials.