About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
|
Thermodynamics of Materials in Extreme Environments
|
Presentation Title |
Phase Diagrams of Metal-Nitrogen Compounds at High Pressure and High Temperature |
Author(s) |
Peter Kroll |
On-Site Speaker (Planned) |
Peter Kroll |
Abstract Scope |
The quest for hard materials and compounds with high energy density drives high-pressure research of nitrogen-rich compounds, with implications for planetary science. Predicting the formation of nitrogen-rich compounds at high pressure and high temperature requires knowledge of the chemical potential of nitrogen under extreme conditions. We have developed models and provided intelligible data for the chemical potential of nitrogen at temperature and pressure conditions relevant for experiments in Laser–heated diamond anvil cells. In combination with first-principles calculations, we derive pressure−temperature phase diagrams readily accessible to guide experimental efforts. We demonstrate the validity of our approach for characteristic systems, including pure nitrogen and already discovered nitrogen-rich metal-nitrogen phases. We then provide predictions for new metal-nitrogen compounds – binary and ternary – awaiting their synthesis at high pressure and high temperature. |