About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
The Origins of Anomalous Specific Heat in Glasses |
| Author(s) |
Grant Roberts, Jaeyun Moon |
| On-Site Speaker (Planned) |
Grant Roberts |
| Abstract Scope |
The specific heat of glasses deviates markedly from that of their crystalline counterparts, particularly at cryogenic temperatures. Over the past several decades, this anomaly has been commonly attributed to the Boson peak in the vibrational density of states. However, most existing explanations are rooted in a harmonic description of atomic vibrations, which can obscure the role of anharmonic effects in determining thermodynamic behavior. In this work, we investigate the heat capacity of amorphous and crystalline solids at the microscopic level while explicitly accounting for anharmonic vibrational effects. By comparing their atomic-scale vibrational and thermodynamic responses, we identify the mechanisms responsible for their distinct heat capacities. Our analysis provides new insight into the physical origins of anomalous specific heat in glasses and offers a broader microscopic framework for understanding thermodynamic properties in amorphous solids. |
| Proceedings Inclusion? |
Planned: |