| About this Abstract |
| Meeting |
MS&T21: Materials Science & Technology
|
| Symposium
|
Ceramics and Glasses Modeling by Simulations and Machine Learning
|
| Presentation Title |
Development of a Transferable Inter-atomic Potential for Boroaluminosilicate Glasses |
| Author(s) |
Rajesh Kumar, N M Anoop Krishnan |
| On-Site Speaker (Planned) |
Rajesh Kumar |
| Abstract Scope |
Boroaluminosilicate glasses are used as a base glass for a variety practical applications ranging from smart phone protective screens to nuclear waste immobilization. Developing a transferable interatomic potential is crucial to study the structure and properties of boroaluminosilicate glasses. The development of such a potential is challenging due to the variable coordination states of boron atom depending on the presence of anions, also known as the boron anomaly. We developed a transferable potential which can be used to simulate the structure aluminoborosilicate and borosilicate glasses. Glass structures simulated exhibit close match with the experimental structure. The densities of a wide range of glasses exhibit excellent match with experimental values. Overall, the inter-atomic potential developed herein will be extremely useful to simulate the structure of a wide range of boroaluminosilicate glasses with applications in nuclear waste immobilization, and bullet-proof glass composites. |