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contributor authorPan Shi
contributor authorYuxuan Lin
contributor authorTong Guo
contributor authorMengxiang Fang
contributor authorChao Wang
contributor authorYongming Tu
contributor authorGabriel Sas
contributor authorLennart Elfgren
date accessioned2023-11-27T23:40:45Z
date available2023-11-27T23:40:45Z
date issued5/25/2023 12:00:00 AM
date issued2023-05-25
identifier otherJMCEE7.MTENG-15003.pdf
identifier urihttp://yetl.yabesh.ir/yetl1/handle/yetl/4293765
description abstractCalcium silicate aluminate hydrate (C-A-S-H) is the main hydration product of cement mixed with industrial wastes. The purpose of this study is to understand the dynamic mechanical behavior and structural transformations of molecular-scale C-A-S-H induced by shock waves. Three C-A-S-H models with Al/Si ratios of 0.0, 0.1, and 0.2 are constructed and reactive molecular dynamics simulations are used to perform shock compressions with different shock velocities from 0.1  km/s to 3.6  km/s. The distributions of particle velocity, pressure, and density along the shock direction are calculated using the binning analysis method, allowing Hugoniot pressure-specific volume curves to be derived. The results reveal that shock waves may induce elastic, elastic-plastic, or shock Hugoniot responses in molecular-scale C-A-S-H, depending on the Al/Si ratio and the shock velocity. Below the Hugoniot elastic limit (HEL), higher Al/Si ratios cause the elastic wave to propagate farther due to the cross-linking effect of aluminate units. Above the HEL, higher Al/Si ratios give rise to a distinct two-wave structure characteristic comprising a plastic front and an elastic precursor. This characteristic becomes less pronounced as the shock velocity increases. Analysis of the molecular structural transformations of C-A-S-H revealed that the main atomic deformation behavior below the HEL involves a reduction of interatomic distances; above the HEL the main response is a densification of water molecules followed by a general collapse of the layered structure as the shock velocity increases.
publisherASCE
titleShock Wave–Induced Dynamic Mechanical Behavior of Calcium Silicate Aluminate Hydrate at the Molecular Scale
typeJournal Article
journal volume35
journal issue8
journal titleJournal of Materials in Civil Engineering
identifier doi10.1061/JMCEE7.MTENG-15003
journal fristpage04023232-1
journal lastpage04023232-10
page10
treeJournal of Materials in Civil Engineering:;2023:;Volume ( 035 ):;issue: 008
contenttypeFulltext


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