5 papers
Thermal Transport in Defective Uranium Nitride: Effects of Point Defects, Anharmonicity, and Electronic Contributions
Beihan Chen, Marat Khafizov, Zilong Hua +2
The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-…
Chemical Short-Range Order Regulates Hydrogen Energetics and Hydrogen-Dislocation Interactions in CoNiV
Beihan Chen, Dalia Sayed Ahmed, Yang Yang +1
Chemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop…
Machine learning interatomic potential for predicting the thermal properties of uranium nitride
Beihan Chen, Zilong Hua, Jennifer K. Watkins +4
We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic…
Evaluation of Structural Properties and Defect Energetics in AlGaN Alloys
Farshid Reza, Beihan Chen, Miaomiao Jin
AlGaN alloys are essential for high-performance optoelectronic and power devices, yet the role of composition on defect energetics remains underexplored, largely due to…
Anomalous Ionic Conductivity along the Coherent 3 Grain Boundary in ThO2
Miaomiao Jin, Jilang Miao, Marat Khafizov +3
Understanding oxygen diffusion along grain boundaries (GBs) is critical for controlling ionic conductivity in oxide ceramics. GBs are typically thought to enhance ionic transport d…