Radiation attenuation and microstructure characteristics of Co 20 Ni 20 Cr 16 B 15 Si 10 Fe (19-x) Mo x (x=0,4,8,12,16) HEAs: theoretical and computational perspectives

İngilizce (OpenAlex)

In consideration of the growing number of application-related cases involving elevated scales of radiation, the progression of novel technologies aimed at mitigating the unwanted consequences of radiation exposure assumes critical importance. In the field of the nuclear industry, there is a particular requirement to produce materials capable of withstanding elevated temperatures. The investigation focused on the radiation protection characteristics of high entropy alloys (Co20Ni20Cr16Fe19B15Si10, Co20Ni20Cr16Fe15Mo4B15Si10, Co20Ni20Cr16Fe11Mo8B15Si10, Co20Ni20Cr16Fe7Mo12B15Si10, Co20Ni20Cr16Fe3Mo16B15Si10), specifically the linear and mass attenuation coefficients, effective atomic number, mean free path, half value layer, fast neutron removal cross section, buildup factors, atomic and electronic cross sections, KERMA, the mass stopping power, projected range and radiation yield. The Phy-X/PSD, SRIM, PAGEX and ESTAR softwares were employed to analyze these parameters. In addition, molecular dynamics calculations such as partial pair correlation function (PCF), diffusion coefficients, X-ray diffraction patterns and ionic conductivity behaviors of HEA for 0 and 16 at.% were conducted. From PCF analysis, while the wide first g(r)B-B peak occurs at about 3.5-4 Å for Mo0, the very sharp first peak of g(r)B-B changes at 1.57 Å for Mo16. Moreover, as the Mo content increased, the diffusion coefficients of all atoms decreased, but the diffusion coefficient of B increased from 0.577 to 0.91 (×10−9 m.s−1). Ionic conductivity of all atoms in HEA firstly tends to enhance and then rapidly decreases with increasing Mo content due to improvement of corrosion resistance.