Comprehensive Computational Assessment of Al-Based High-Entropy Superalloys: Thermodynamic, Mechanical, and Radiation Shielding Characterization for Nuclear Applications

This study investigates the radiation shielding properties of aluminum-based superalloy high-entropy alloys (HEAs) for potential use in advanced nuclear reactor applications. These HEAs, composed of five or more metals in equimolar or near-equimolar ratios, were evaluated for their thermodynamic stability, mechanical strength, and radiation attenuation capabilities. Key parameters such as entropy of mixing (ΔS_mix), enthalpy of mixing (ΔH_mix), valence electron concentration (VEC), and atomic size difference (δ) were analyzed. Radiation shielding properties, including mass attenuation coefficients (MAC), half-value layer (HVL), effective atomic number (Z_eff), and exposure buildup factor (EBF), were assessed using various simulations. Alloy 12, with its superior MAC, lowest HVL, and high Σ_R value, demonstrated exceptional effectiveness in gamma and neutron attenuation. These findings underscore the potential of aluminum-based HEAs, particularly Alloy 12, to enhance the operational capabilities and longevity of nuclear reactors, paving the way for the development of next-generation materials for high-radiation environments.