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Abstract CO2 curing can greatly enhance the properties of concrete while actively sequestering CO2. However, the influencing mechanisms of CO2 curing on the passivation film of steel bars in concrete remains unclear. In ...

Abstract Confinement epitaxy beneath graphene stabilizes exotic material phases by restricting vertical growth and altering lateral diffusion, conditions unattainable on bare substrates. However, achieving long-range int...

Abstract Predictive atomistic simulations have propelled materials discovery, yet routine setup and debugging still demand computer specialists. This know-how gap limits the use of Integrated Computational Materials Engi...

Abstract Understanding and controlling the marine degradation of biodegradable polymers is crucial for sustainable materials engineering and pollution prevention. However, a unified interpretive method that links multisc...

Abstract Machine learning surrogate models of Kohn-Sham Density Functional Theory Hamiltonians provide a powerful tool for accelerating the prediction of electronic properties of materials, such as electronic band struct...