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 (ΔSmix), enthalpy of mixing (ΔHmix), 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 (Zeff), and exposure buildup factor (EBF), were assessed using various simulations. Alloy 12, with its superior MAC, lowest HVL, and high ΣR 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.