Autogenous healing in cement: A kinetic Monte Carlo simulation of CaCO3 precipitation

Advancements in bacteria based self-healing concrete and the promise of modelling

“…In a recent development, chemical transformations between aqueous and solid phases, modelling microstructural evolution, have been implemented alongside mechanical interactions in particle-based simulations, exploiting the Kinetic Monte Carlo framework [148]. Thus far, these new chemo-mechanical simulations have addressed C -S -H precipitation [149], dissolution of tricalcium silicate [150], and recently carbonation of a C-S-H / Ca (OH) 2 system [125], as a first example of autogenous self-healing mechanisms in concrete. In all these endeavours, however, the biological component is still absent.…”

“…(A) A molecular model of calciumsilicatehydrate (C-S-H): the blue and white spheres are oxygen and hydrogen atoms of water molecules, respectively; the green and gray spheres are inter and intra-layer calcium ions, respectively; yellow and red sticks are silicon and oxygen atoms in silica tetrahedra (reproduced with permission from [124]). (B) Kinetic Monte Carlo simulation of autogenous healing (blue C -S -H; red CH; yellow CaCO 3 ) (reproduced with permission from [125]). (C) Molecular dynamic simulation for the outer membrane of Gram-negative bacteria (reproduced with permission from [126]).…”

Prediction of Aggregate Packing with Tubular Macrocapsules in the Inert Structure of Self-Healing Concrete Based on Dewar’s Particle Packing Model

“…Research on self-healing concrete is steadily growing with the emergence of innovations in terms of newly developed agents [1][2][3], standardisation of tests for self-healing materials [4,5], self-healing modelling [6,7], and commercialisation pathways [8,9]. The application of self-healing materials in concrete matrices is, however, rather limited, while they are mostly applied in paste and mortar matrices [10].…”