Density-Diffusion Relationship in Soda-Lime Phosphosilicate

Bioactive glasses release ions such as sodium when implanted in the human body. However, an excess of released can cause problems related to cytotoxicity. The ion control is considered one primary challenges developing new bioactive glasses. Here, we use molecular dynamics simulations investigate effect density on atoms’ archetypal phosphosilicate system. diffusion coefficient displays three main regimes with increasing density. mobility modifiers significantly affected by increase density, especially Na, compared other elements. We a modified Arrhenian model access complex dynamic behavior 45S5 melts and correlate it structural changes evaluating network connectivity pair-excess entropy. Overall, our results present step toward rational design key controlling