Despite their transformative role in our society, oxide glasses remain brittle. Although extrinsic postprocessing techniques can partially mitigate this drawback, they come with undesirable side effects. Alternatively, topological engineering offers an attractive option to enhance the intrinsic strength and damage resistance of glass. On the basis of this approach, we report here the discovery of a novel melt-quenched lithium aluminoborate glass featuring the highest crack resistance ever reported for a bulk oxide glass. Relying on combined mechanical and structural characterizations, we demonstrate that this unusual damage resistance originates from a significant self-adaptivity of the local atomic topology under stress, which, based on a selection of various oxide glasses, is shown to control crack resistance. This renders the lithium aluminoborate glass a promising candidate for engineering applications, such as ultrathin, yet ultrastrong, protective screens.

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We study a calcium aluminosilicate glass of composition (SiO2)0.60(Al2O3)0.10(CaO)0.30 by means of molecular dynamics. To this end, we conduct parallel simulations, following a consistent methodology, but using three different potentials. Structural and elastic properties are analyzed and compared to available experimental data. This allows assessing the respective abilities of the potentials to produce a realistic glass. We report that, although all these potentials offer a reasonable glass structure, featuring tricluster oxygen atoms, their respective vibrational and elastic predictions differ. This allows us to draw some general conclusions about the crucial role, or otherwise, of the interaction potential in silicate systems.

Despite its ubiquitous presence in the built environment, concrete’s molecular-level properties are only recently being explored using experimental and simulation studies. Increasing societal concerns about concrete’s environmental footprint have provided strong motivation to develop new concrete with greater specific stiffness or strength (for structures with less material). Herein, a combinatorial approach is described to optimize properties of cement hydrates. The method entails screening a computationally generated database of atomic structures of calcium-silicate-hydrate, the binding phase of concrete, against a set of three defect attributes: calcium-to-silicon ratio as compositional index and two correlation distances describing medium-range silicon-oxygen and calcium-oxygen environments. Although structural and mechanical properties correlate well with calcium-to-silicon ratio, the cross-correlation between all three defect attributes reveals an indentation modulus-to-hardness ratio extremum, analogous to identifying optimum network connectivity in glass rheology. We also comment on implications of the present findings for a novel route to optimize the nanoscale mechanical properties of cement hydrate.