Oxide Glasses

Atomistic insights into the mixed-alkali effect in phosphosilicate glasses

Oxide glasses have proven useful as bioactive materials, owing to their fast degradation kinetics and tunable properties. Hence, in recent years tailoring the properties of bioactive glasses through compositional design have become the subject of …

Atomistic insights into the structure and elasticity of densified 45S5 bioactive glass

Glasses have applications in regenerative medicine due to their bioactivity, enabling interactions with hard and soft tissues. Soda-lime phosphosilicate glasses, such as 45S5, represent a model system of bioactive glasses. Regardless of their …

Oxide Glasses

Study the properties of oxide glasses

Atomic Structure and Modifiers Clustering in Silicate glasses: Effect of Modifier Cations

Oxide glasses are generally formed by a network of glass former polyhedra, and network modifiers having the role, either to neutralize/ stabilize the charge of the glass former polyhedra or depolymerize the glass network. The effect of the modifier …

Ionic Self-Diffusion and the Glass Transition Anomaly in Aluminosilicates

The glass transition temperature (T$_g$) is the temperature, after which the supercooled liquid undergoes a dynamical arrest. Usually, the glass network modifiers (e.g., Na$_2$O) affect the behavior of T$_g$. However, in aluminosilicate glasses, the …

Ionic Self-Diffusion and the Glass Transition Anomaly in Aluminosilicates

The glass transition temperature (Tg) is the temperature, after which the supercooled liquid undergoes a dynamical arrest. Usually, the glass network modifiers (e.g., Na2O) affect the behavior of Tg. However, in aluminosilicate glasses, the effect of …

Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation

We rely on molecular dynamics simulations to investigate and discuss the effect of alumina content on the thermodynamic, elastic and structural properties of calcium aluminosilicate glasses in the light of available experimental data. The alumina …

Atomistic insights into the impact of charge balancing cations on the structure and properties of aluminosilicate glasses

Ternary aluminosilicate glasses are of great interest in glass and earth sciences. The structural role of the non-network cations is not fully understood until now. Understanding the structural effect of the non-network cations is necessary for …

Computational insights into the structure of barium titanosilicate glasses

Understanding the role of TiO$_2$ in BaO‐TiO$_2$‐SiO$_2$ (BTS) glasses is one of the keys to develop new glasses and glass‐ceramics for different technological applications. For the first time, molecular dynamics simulations were conducted to get new …