A molecular dynamics study on kaolinite-water-CMC mixture for 3D printing applications

IF 3.9 3区 工程技术 Q2 CONSTRUCTION & BUILDING TECHNOLOGY
Ruifeng Di, Anna Lushnikova, Olivier Plé
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Abstract

Clay materials are widely distributed on Earth, but their sensitivity to water has limited their use as building materials (rammed earth, molded or 3D printed earth). As a family of inorganic layered nanomaterials, understanding clay’s atomic-scale mechanical behavior is crucial for uncovering its macroscopic properties, and environmental interactions and using it effectively as a building material. In this study, a hydrated kaolinite model was constructed using molecular dynamics, incorporating carboxymethyl cellulose (CMC) molecules. The microstructure and interfacial stick–slip friction behavior of two atomics models under varying confining pressures were examined. The results indicate that interlayer spacing gradually decreases with increasing confining pressure. At higher water pressures, interlayer water molecules reach an almost stagnant state, while at lower pressures, the water molecules in the kaolinite-CMC system exhibit higher activity. Both models display stick–slip behavior during shear processes, and comparisons of stress–strain curves at different shear rates suggest that CMC reduces the model’s average shear force. The presence of CMC increases the interlayer spacing of kaolinite, thus decreasing cohesion and the friction angle of the model. Additionally, the effectiveness of CMC additions improves with increasing shear rates. Finally, the results of this research could be used to understand the rheology of raw earth with bio-sourced materials mixture in 3D printing applications or rammed earth applications.

3D打印用高岭石-水- cmc混合物的分子动力学研究
粘土材料在地球上广泛分布,但它们对水的敏感性限制了它们作为建筑材料(夯土、模塑土或3D打印土)的使用。作为一种无机层状纳米材料,了解粘土的原子尺度力学行为对于揭示其宏观特性、环境相互作用以及有效地将其用作建筑材料至关重要。在本研究中,采用分子动力学方法建立了一个水合高岭石模型,并加入了羧甲基纤维素(CMC)分子。研究了两种原子模型在不同围压下的微观结构和界面粘滑摩擦行为。结果表明:随着围压的增大,层间间距逐渐减小;在较高的水压力下,层间水分子几乎处于停滞状态,而在较低的压力下,高岭石- cmc体系中的水分子表现出较高的活性。两种模型在剪切过程中均表现出粘滑行为,不同剪切速率下的应力-应变曲线对比表明,CMC降低了模型的平均剪切力。CMC的存在增加了高岭石的层间距,从而降低了模型的黏聚力和摩擦角。此外,CMC添加量的有效性随着剪切速率的增加而提高。最后,本研究的结果可用于了解原料土与生物源材料混合物在3D打印应用或夯土应用中的流变学。
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
Materials and Structures
Materials and Structures 工程技术-材料科学:综合
CiteScore
6.40
自引率
7.90%
发文量
222
审稿时长
5.9 months
期刊介绍: Materials and Structures, the flagship publication of the International Union of Laboratories and Experts in Construction Materials, Systems and Structures (RILEM), provides a unique international and interdisciplinary forum for new research findings on the performance of construction materials. A leader in cutting-edge research, the journal is dedicated to the publication of high quality papers examining the fundamental properties of building materials, their characterization and processing techniques, modeling, standardization of test methods, and the application of research results in building and civil engineering. Materials and Structures also publishes comprehensive reports prepared by the RILEM’s technical committees.
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