Atomistic modeling of structure and mechanical properties of silica

Abstract

The second scientific question is how to tune the mechanical anomaly of silica glass. Given that the localized reversible structural transition is the underlying mechanism, any means that can prevent such transitions would diminish or eradicate the mechanical anomaly completely. By using pressure-quenching or helium-stuffing to reduce the free volume needed for local structural transitions, the pressure dependent elastic moduli of silica glass changes from abnormal to normal with increasing the quenching pressure and the amount of helium atoms stuffed in the glass matrix. Our study showed that the microscopic structure of silica glass can be tuned in a controllable manner, so are the elastic properties.