Mengyi Wang

TL;DR: In this paper, the compositional dependence of the average coordination number of boron atoms, glass density, overall short-range and medium-range order structure, and shear viscosity values for several borosilicate glasses and liquids is analyzed.

TL;DR: In this article, the authors evaluate the ability of reactive potentials to offer an accuracy equivalent or superior to that of classical potentials in describing the structure and properties of glassy silicates and show that ReaxFF produces a realistic disordered structure, both at the short and medium-range order.

TL;DR: In this article, the relationship between composition, structure, and resistance to fracture remains poorly understood, and the authors report that sodium silicate glasses and calcium-silicate-hydrates feature an anomalous maximum in fracture toughness.

TL;DR: A novel atomistic simulation method is reported allowing us to directly access the long-term dynamics of glass relaxation at room temperature, and finds that the potential energy relaxation follows a stretched exponential decay, with a stretching exponent β=3/5, as predicted by Phillips's diffusion-trap model.

TL;DR: This study comprehensively assess the ionization behavior of nanoporous polyamide selective layers in state-of-the-art nanofiltration (NF) membranes and reports that interior carboxyl ionization could improve the water–salt permselectivity of NF membranes over fourfold, suggesting that interior charge density could be an important tool to enhance the selectivity of polyamide membranes.