The bioactive mechanism, by which living tissues attach to and integrate with an artificial
implant through stable chemical bonds, is at the core of many current medical applications of …

Magmas are mixtures of melt, crystals and dissolved gasses with or without crystalline
material (Mysen and Richet 2019). They play an important role in igneous processes …

A new empirical pairwise potential model for ionic and semi-ionic oxides has been
developed. Its transferability and reliability have been demonstrated by testing the potentials …

The structure of xNa2O (100− x) SiO2 (x= 0–50) glasses have been studied by molecular
dynamics simulation. Local structures around sodium and silicon agree well with neutron …

Vibrational spectroscopy has been widely used to investigate various structural aspects of
the glass network, and there are a plethora of papers reporting subtle but consistent …

Although molecular dynamics (MD) simulations are commonly used to predict the structure
and properties of glasses, they are intrinsically limited to short time scales, necessitating the …

An efficient algorithm for finding primitive rings in a topological network has been developed.
The calculation of complete ring statistics, with virtually no upper limit on ring size, becomes …

The application of the molecular dynamics computer simulation technique to the problem of
elucidating alkali ion migration mechanisms in alkali silicate glasses is reviewed. Some new …

We present the development of a ReaxFF reactive force field for Na/Si/O/H interactions,
which enables reactive molecular dynamics simulation of the sodium silicate–water …

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