High-entropy alloy, Short-range order, DFT, Monte Carlo simulation, Segregation
high-entropy alloy, Short-range order, DFT, Monte Carlo simulation, Segregation
ammonium formate, O-functional group, dehydrogenation, LOHCs, palladium
Hydrogen storage, TiFe alloy, Activation, Surface oxide, Density functional theory calculation, Atom probe tomography
rGO/Mg nanocomposite, effective thermal conductivity, mesoscopic modeling