Procedures and Algorithms for: A 3D three-phase meso-scale model for simulation of chloride diffusion in concrete

1. Introduction This program is associated with the paper called ‘A 3D three-phase meso-scale model for simulation of chloride diffusion in concrete’ as research data. It serves as an example to validate the proposed model in this paper based on the experimental data of the chloride diffusion test in concrete at 60 d in literature. 2. Program listing: MATLAB: (1) Mainroutine_Matlab.m %% Program for generating the aggregates information including coordinates, diameters, number. (2) fuller_3D.m %% This is a function used to generate aggregate diameter randomly. (3) agg_volu.m %% Program for calculating the volume of aggregates embedded in each layer. (4) rec_agg_volu.m %% Program for generating the volume of mortar embedded in each layer. (5) draw_patch.m %% This program is used to display geometries of the propose 3D three-phase mesoscale model in this paper. (6) mat_postprocess.m % This program is used to draw the results of the proposed model against the experimental data and analytical solution. ANSYS APDL: !! FEM programming regarding simulating the chloride diffusion in mesoscopic concrete through the redevelopment of APDL in the ANSYS software (1) Mainroutine.mac (2) Datapre.mac !! Initiation of parameters and variables (3) Preprocess.mac !! Preprocessor (generate geometries, elements and materials; meshing) (4) Solve.mac !! Solve (impose boundary conditions and loads (the initial chloride concentration); Finite element solution) (5) Postprocess.mac !! Postprocessor (postprocessing) Txt files: (1) coordinates.txt Record aggregates information: the first column is for serial numbers; the second, third, fourth columns are for the coordinates of x, y, z (m), respectively; the fifth column is for aggregate radii (m). (2) ratio_exp.txt Experimental data in literature. The first column corresponds to depth/mm. The second, third, fourth, fifth, sixth columns correspond to measured chloride concentration (%) at 60 days, 120 days, 240 days, 360 days and 480 days respectively in literature.1. 引言 本数据集为论文《用于混凝土氯离子扩散模拟的三相细观尺度（meso-scale）三维模型》（A 3D three-phase meso-scale model for simulation of chloride diffusion in concrete）的配套研究数据，旨在基于文献中60天龄期混凝土氯离子扩散试验的实测数据，作为示例对本文提出的模型进行验证。 2. 程序清单 MATLAB： (1) Mainroutine_Matlab.m %% 用于生成骨料相关信息（包括坐标、粒径、数量）的主程序 (2) fuller_3D.m %% 用于随机生成骨料粒径的自定义函数 (3) agg_volu.m %% 用于计算各层嵌入骨料体积的程序 (4) rec_agg_volu.m %% 用于生成各层嵌入砂浆体积的程序 (5) draw_patch.m %% 用于可视化本文提出的三相细观尺度三维模型几何形态的程序 (6) mat_postprocess.m %% 用于将本文提出模型的计算结果与实测数据及解析解进行对比绘图的程序 ANSYS APDL： 基于ANSYS软件的APDL二次开发，实现细观混凝土氯离子扩散模拟的有限元编程 (1) Mainroutine.mac (2) Datapre.mac %% 参数与变量初始化程序 (3) Preprocess.mac %% 前处理程序（生成几何模型、单元与材料属性、划分网格） (4) Solve.mac %% 求解程序（施加边界条件与荷载（初始氯离子浓度），执行有限元求解） (5) Postprocess.mac %% 后处理程序 文本文件： (1) coordinates.txt 记录骨料信息：第一列为序列号；第二、三、四列分别为x、y、z轴坐标（单位：米）；第五列为骨料半径（单位：米）。 (2) ratio_exp.txt 收录文献中的实测数据：第一列为测试深度（单位：毫米）；第二至第六列分别对应文献中60天、120天、240天、360天及480天龄期下测得的氯离子浓度（%）。