Visualizing water seepage dynamics in grotto relics via atom-based representative model

Abstract Water seepage in grotto relics, i.e., Yungang Grottoes, Dazu Rock Carvings, is a key issue to accurately describe the deterioration and weathering process of rock mass. Considering rainfall infiltration, Finite element simulation was performed for studying water flow through macro-channel fractured 4th cave where group joints with directions S62°E N5°W are widely developed. A 3D atom-based representative model derived from X-ray diffraction (XRD) patterns related semi-quantitative calculation powders, visualizing associated characteristics micro-channel by means molecular dynamics simulation, first time. By analyzing various properties, ranging configuration energetic behaviors dynamic characteristics, calculated flux mass rate were equal 270 ns −1 8.10 × 10 –12 g s , respectively. transport entrance region exit examined it consistent relative concentration profiles at corresponding stage. The tagged O atoms experienced zigzag movement instead linear motion as expected, roughly exhibited same target direction. relics complex evolution three types can be summarized: infiltrates micro-channels low rate; flows fracture relatively high turned into kind analogous pipe inter-connected network, resulting hazard. Current studies provide helpful insights understanding flow-infiltration behavior relics.