The low swelling property of magnesium oxide concrete is a significant feature that can be used to control the cracking of mass concrete. Based on the characteristics of the chemical reaction, this work proposes a coupled hydro-thermo-mechanical model that can be implemented with the finite element method for predicting the autogenous volumetric deformation of magnesium concrete. By introducing the degree of the hydration reaction of magnesia and the degree of the hydration reaction of cementitious materials as intermediate variables of the chemical reaction system, a prediction model of the concrete temperature and chemical fields is established, and using this model, the effect of the temperature on the reaction rate can be considered in real time. In addition, by combining the relationship between the degree of the hydration reaction of magnesium oxide and the comprehensive expansion of concrete, a mathematical model for calculating the expansion stress of magnesia concrete was established. The algorithms were derived by mathematical equations, and the simulation results were compared to the experimental temperature and autogenous volumetric strain curves, which showed that the hydration model provides a relatively high accuracy. The model was also applied to an arch dam, and the coupled thermo-chemical-mechanical responses of mass concrete during construction were investigated. Simulation results show that the increase in temperature (hydration of cementitious material) and expansion volumetric deformation (hydration of MgO) of the concrete on the upstream and downstream surfaces lags obviously behind that of the inner regions. Quantitative analysis for differences of internal and external expansion is worthy of further attention and study on a basis of further experimental data as well as monitored data.

When the shock load is applied, materials experience incredibly high temperature and pressure conditions on picosecond timescales, usually accompanied by remarkable physical or chemical phenomena. Understanding the underlying physics that governs the kinetics of shocked materials is of great importance for both physics and materials science. Here, combining experiment and large-scale molecular dynamics simulation, the ultrafast nanoscale crystal nucleation process in shocked soda-lime silicate glass is investigated. By adopting topological constraints theory, this study finds that the propensity of nucleation is governed by the connectivity of the atomic network. The densification of local networks, which appears once the crystal starts to grow, results in the underconstrained shell around the crystal and prevents further crystallization. These results shed light on the nanoscale crystallization mechanism of shocked materials from the viewpoint of topological constraint theory.