Effect of stoichiometry on thermodynamic and thermal transport properties of entropy-stabilized oxide MgCoNiCuZnO₅

B. Timalsina, H. G. Nguyen, K. Esfarjani

Journal of Applied Physics 2026

Investigates how stoichiometry affects thermodynamic and thermal transport properties of entropy-stabilized oxide MgCoNiCuZnO₅ (J14) using computational methods.

[Paper]

Neuroevolution Machine Learning Potential for High-Temperature Deformation Studies of Entropy-Stabilized Oxide MgNiCoCuZnO₅

B. Timalsina, H. G. Nguyen, K. Esfarjani

Journal of Applied Physics 2024

Development of a neuroevolution machine learning potential (NEP) for entropy-stabilized oxide MgNiCoCuZnO₅ (J14) to explore its lattice distortion, elastic properties, and thermal conductivity across a wide temperature range. The NEP potential demonstrates high accuracy compared to density functional theory (DFT) calculations and experimental data.

[Paper] [GPUMD Code] [NEP Code]