A novel mesh algorithm to improve the packing efficiency of irregular-shaped particles in simulating cement paste's microstructure

IF 4.5 2区 工程技术 Q2 ENGINEERING, CHEMICAL Powder Technology Pub Date : 2024-11-07 DOI:10.1016/j.powtec.2024.120415
Peng Gao , Hongjie Liu , Jingzhe Li , Yang Yu , Faquan Xie , Haijun Lu , Yanbo Hu , Yonggan Yang , Binggen Zhan , Qijun Yu
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Abstract

Irregular-shaped particle packing is important to simulate the cement paste microstructure. However, the efficiency of current packing models is relatively low. This study proposes a novel packing algorithm named the Mesh Optimization Packing (MOP) model inspired by the VOX and extent overlap box (EOB) methods. The MOP model's performance in terms of accuracy, uniformity, and randomness were evaluated. Meanwhile, compared to the Anm model 2.0 and the VOX model, the MOP model excels in simulating the initial microstructure of cement paste with high cement volume fractions. When the cement volume fraction is 56.03 %, the VOX model requires 124.68 h, while the MOP model only takes 18.80 h. By adding uniform-thickness shells to irregular-shaped particles, the MOP model integrates with the HYMOSTRUC3D-E model to simulate the evolution and uniaxial stretching process of the cement paste microstructure. This innovative modelling approach offers a promising solution for future simulations of cement paste microstructure.

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在模拟水泥浆微观结构时提高不规则形状颗粒堆积效率的新型网格算法
不规则形状的颗粒填料对于模拟水泥浆微观结构非常重要。然而,目前的填料模型效率相对较低。本研究受 VOX 和程度重叠盒(EOB)方法的启发,提出了一种名为网格优化填料(MOP)模型的新型填料算法。研究评估了 MOP 模型在精度、均匀性和随机性方面的性能。同时,与 Anm 模型 2.0 和 VOX 模型相比,MOP 模型在模拟高水泥体积分数的水泥浆初始微观结构方面表现出色。当水泥体积分数为 56.03 % 时,VOX 模型需要 124.68 小时,而 MOP 模型仅需 18.80 小时。通过为不规则形状的颗粒添加均匀厚度的外壳,MOP 模型与 HYMOSTRUC3D-E 模型相结合,模拟了水泥浆微观结构的演变和单轴拉伸过程。这种创新的建模方法为未来的水泥浆微观结构模拟提供了一种前景广阔的解决方案。
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来源期刊
Powder Technology
Powder Technology 工程技术-工程:化工
CiteScore
9.90
自引率
15.40%
发文量
1047
审稿时长
46 days
期刊介绍: Powder Technology is an International Journal on the Science and Technology of Wet and Dry Particulate Systems. Powder Technology publishes papers on all aspects of the formation of particles and their characterisation and on the study of systems containing particulate solids. No limitation is imposed on the size of the particles, which may range from nanometre scale, as in pigments or aerosols, to that of mined or quarried materials. The following list of topics is not intended to be comprehensive, but rather to indicate typical subjects which fall within the scope of the journal's interests: Formation and synthesis of particles by precipitation and other methods. Modification of particles by agglomeration, coating, comminution and attrition. Characterisation of the size, shape, surface area, pore structure and strength of particles and agglomerates (including the origins and effects of inter particle forces). Packing, failure, flow and permeability of assemblies of particles. Particle-particle interactions and suspension rheology. Handling and processing operations such as slurry flow, fluidization, pneumatic conveying. Interactions between particles and their environment, including delivery of particulate products to the body. Applications of particle technology in production of pharmaceuticals, chemicals, foods, pigments, structural, and functional materials and in environmental and energy related matters. For materials-oriented contributions we are looking for articles revealing the effect of particle/powder characteristics (size, morphology and composition, in that order) on material performance or functionality and, ideally, comparison to any industrial standard.
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