Bioactive glasses were the first synthetic materials to show bonding to bone, and they are
successfully used for bone regeneration. They can degrade in the body at a rate matching …

The question of silicate glass chemical durability is at the heart of many industrial and
environmental issues, with certain glasses, such as bioglasses, needing to transform rapidly …

Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …

Three dimensional scaffolds with controlled pore architecture were prepared from 45S5
Bioglass® powders by robocasting (direct-writing) using carboxymethyl cellulose (CMC) as …

The simulation of liquids by ab initio molecular dynamics (AIMD) has been a subject of
intense activity over the last two decades. The significant increase in computational …

The presence of leachable ions in multicomponent silicate glasses complicates the
understanding of their surface structure and chemistry under a humid or aqueous …

Hypothesis Silanol groups at the silica–water interface determine not only the surface
charge, but also have an important role in the binding of ions and biomolecules. As the pH is …

Amorphous materials have no long-range order in their atomic structure. This makes much
of the formalism for the study of crystalline materials irrelevant, and so elucidating their …

Interfacial bonding and adhesion mechanisms are important in determining the final
properties of the polymer composite. Molecular dynamics (MD) simulations have been used …

In this study, we used ReaxFF reactive force field molecular dynamics (MD) simulations to
investigate the dynamics associated with reactivity at the sodium aluminosilicate (NAS) …