Efficient modelling approaches capable of predicting the behavior and effects of nanoparticles in cement-based materials are required for conducting relevant experiments. From the microstructural characterization of a cement-nanoparticle system, this paper investigates the potential of cell-based weighted random-walk method to establish statistically significant relationships between chemical bonding and diffusion processes of nanoparticles within cement matrix. LaSr_0.5C_0.5O₃ (LSCO) nanoparticles were employed to develop a discrete event system that accounts for the behavior of individual cells where nanoparticles and cement components were expected to interact. The stochastic model is based on annihilation (loss) and creation (gain) of a bond in the cell. The model considers both chemical reactions and transport mechanism of nanoparticles from cementitious cells, along with cement hydration process. This approach may be useful for simulating nanoparticle transport in complex 2D cement-based materials systems.

进行相关实验需要能够预测纳米粒子在水泥基材料中的行为和影响的有效建模方法。从水泥-纳米颗粒系统的微观结构表征，本文研究了基于单元的加权随机游走方法在水泥基质中纳米颗粒的化学键合和扩散过程之间建立统计学上显着关系的潜力。LaSr _0.5 C _0.5 O ₃(LSCO) 纳米粒子被用来开发一个离散事件系统，该系统解释了预期纳米粒子和水泥成分相互作用的单个细胞的行为。随机模型基于细胞中键的湮灭（损失）和创造（获得）。该模型考虑了来自胶凝细胞的纳米粒子的化学反应和传输机制，以及水泥水化过程。这种方法可用于模拟复杂的 2D 水泥基材料系统中的纳米颗粒传输。