Güler, Ömer; Özkul, İskender; Almisned, Ghada; Sen Baykal, Duygu; Alkarrani, Hessa; Kilic, G.; Mesbahi, A.; Tekin, H.O.

This study explores the development and characterization of 18 novel ZrWNb[(X)(Y)] (where XY are Hf, Ta, Mo, V, Ti) refractory high entropy alloys (RHEAs) designed to enhance mechanical robustness, thermodynamic stability, and radiation shielding effectiveness. Through a rigorous analysis, we evaluated the elastic modulus, entropy, and enthalpy of mixing, atomic size difference, valence electron concentration, and the omega parameter to understand the alloys’ phase behavior and structural integrity. Our findings revealed a broad range of elastic modulus values, indicating diverse mechanical adaptability suitable for high-stress applications. The thermodynamic assessment highlighted several RHEAs with favorable phase stability, particularly ZrWNbTaHf and ZrWNbTiTaHf, which are poised for high-performance usage due to their balanced mixing entropy and enthalpy. This study also benchmarks the RHEAs against conventional alloys, with sample R1 exhibiting the lowest fast neutron effective removal cross section, underscoring its superior neutron shielding capabilities. Additionally, R1 demonstrated exceptional photon attenuation, as evidenced by its competitive half-value layer performance across an extensive energy spectrum. Collectively, these results position R1 as a standout candidate, offering a significant advancement in materials science for applications demanding stringent radiation shielding, such as in nuclear reactor environments and space exploration.

AtıfScopus4·OpenAlex5

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Tekin, H.O.; Güler, Ömer; Özkul, İskender; AlMisned, Ghada; Baykal, Duygu Sen; Alkarrani, Hessa; Kilic, G.; Mesbahi, A.

High Entropy Alloys (HEAs) hold considerable potential for sophisticated nuclear applications, offering a vast spectrum of compositional tuning to enhance mechanical properties at high temperatures, as well as to increase resistance to radiation and corrosion. This study explores the suitability of Cantor HEAs, specifically the CoCrFeMnNi matrix enriched with elements such as Zr, Nb, Mo, Hf, Ta, and W, for nuclear applications. These elements were selected for their high atomic numbers and neutron capture cross-sections, vital for enhancing gamma-ray and neutron shielding properties. Utilizing advanced computational and theoretical methods, the elastic modulus of these alloys was theoretically estimated while their radiation attenuation capabilities were evaluated through different Monte Carlo simulation codes. CoCrFeMnNiW demonstrated the highest elastic modulus (340.9 GPa), indicating significant mechanical robustness. The addition of W resulted in superior gamma-ray attenuation, with the lowest gamma-ray transmission factors and highest neutron shielding effectiveness among the studied alloys. The calculated mass attenuation coefficients and effective removal cross-sections values demonstrate the potential of these HEAs to provide effective radiation shielding. Our results showed a clear correlation between the elastic modulus and radiation attenuation properties, suggesting that mechanical stiffness does not compromise shielding capabilities. The comprehensive analysis of thermodynamic and structural parameters, including entropy of mixing, mixing enthalpy, and Valence Electron Concentration (VEC), provided essential insights into phase stability and microstructural characteristics. It can be concluded that CoCrFeMnNiW and its related Cantor HEAs as promising materials for advancing nuclear technology, offering a new horizon for safer and more efficient nuclear systems.

AtıfScopus9·OpenAlex13

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ALMisned, Ghada; Güler, Ömer; Özkul, İskender; Baykal, Duygu Sen; Alkarrani, Hessa; Kilic, G.; Mesbahi, A.; Tekin, H.O.

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.

İncele

ALMisned, Ghada; Guler, Omer; Ozkul, Iskender; Sen Baykal, Duygu; Alkarrani, Hessa; Kilic, G.; Mesbahi, A.; Tekin, H.O.

To qualify for nuclear applications, materials must meet specific criteria, including mechanical properties, high-temperature behavior, corrosion resistance, and high-temperature oxidation resistance. High Entropy Alloys (HEAs) are particularly suitable for these applications due to their unique properties. Consequently, we conducted a theoretical and simulation-based approaches to assess some critical properties including radiation shielding properties of some quinary FeNiCoCr HEAs. In this study, we focused on quinary FeNiCoCr HEAs, whose corrosion properties have been previously examined in the literature. We investigated the thermodynamic and radiation shielding properties of HEAs with sixteen different compositions. Our methodology included evaluating thermodynamic parameters such as Mixing Entropy (∆Smix) and Mixing Enthalpy (∆Hmix), as well as structural characteristics like Valence Electron Concentration (VEC) and Atomic Size Difference (δ). This allowed us to systematically deduce the phase behavior and stability of various HEAs. Through computational modeling, we assessed the radiation shielding capabilities of these alloys, particularly their effectiveness in attenuating gamma ray and fast neutrons. The results identified FeNiCoCrW as the alloy with the lowest fast neutron removal cross-section values, highlighting its potential for nuclear applications. Its high melting point and the synergistic interplay between its elemental composition and thermodynamic properties suggest broad applicability in extreme environments. Thus, FeNiCoCrW emerges as a promising HEA with multifunctional capabilities, warranting further exploration and potential integration into advanced engineering solutions.

AtıfScopus8·OpenAlex10

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