Fig. 1. Coarse-grained computational MD simulations of SNF/HAP assembly and deposition.

Elastic network models are built on mechanics and geometry feature of the unit building blocks. HAP-SNF surface energy γ (J/m²) is not certain because it depends on the molecular structure and the hierarchy structure of the interface in contact. This is important in forming the layered structure. For the SNF/HAP model, HAP and SNF particles were randomly distributed initially and then subjected to a gravity field that accounts for the drag force from the water flow. (A to C) Snapshots of the HAP/SNF assembly process during deposition, with γ set as 0 (A), 0.217 J/m² (B), and 0.53 J/m² (C).