Numerical and Experimental Investigation of Wall Effect in Concrete

This study presents a new numerical approach using tools developed to perform molecular simulation investigate the wall effect on aggregates and mortar distribution in concrete. Aggregates are represented by spheres interacting via generalized truncated Lennard-Jones potential. allows obtaining particle profiles according reference frame of interest (e.g., confined directions). Then particle-based distributions transformed into continuum volume fractions convolution. Based fraction profiles, transport or mechanical properties estimated Mori-Tanaka scheme from classical homogenization. Results compared experimental work. The method could be used for other applications different fields. In civil engineering, perspectives include aggregate conduct finer analysis, results would extremely relevant prediction water content profile evolution pathologies such as carbonation, corrosion, ISR, etc..