Against photon energies extending from 0.015 to 15 MeV, MCNPX, FLUKA and PHITS codes are operated to simulate mass attenuation coefficients (μ/ρ) for a total of ten B2O3-Bi2O3-Li2O glass compositions with added Bi2O3 amount from 10 to 55 mol% (5 mol% growth gradually) as a substitute for total (B2O3 + Li2O) mol% content. All the computed μ/ρ values correctness is examined by Py-MLBUF and WinXCOM programs’ μ/ρ outcomes and we found a good agreement among them. 55Bi2O3-35B2O3-10Li2O (mol%) glass half-value layer (HVL) and mean free path (MFP) quantities are compared with distinct commercial γ-ray attenuating glasses, alloys, polymers, concretes and lead and ceramics corresponding values. Next, equivalent atomic numbers (Zeq) and by employing geometric progression (G–P) fitting method at 1–40 mfp PDs (penetration depths), at 0.015–15 MeV energy range ‘buildup factors’ were calculated. At all chosen twenty-five energies derived radiation protection efficiency (RPE) results assured investigated samples exemplary competence for low energy photons absorption. Applying SRIM codes ΨP and ΦP and ΨA and ΦA (mass stopping powers (MSPs) and projected ranges (PRs) for protons and α-particles), and making use of ESTAR database ΨE (electron MSP) and continuous slowing‐down approximation (CSDA) range for electrons are determined at KE (kinetic energy) range of 0.015–15 MeV. Moreover, fast neutron removal cross-sections (ΣR), for 0.0253 eV energy neutrons absorption cross-sections have been estimated. Deduced ΣR was altered at 0.1105–0.1205 cm−1 range with Bi2O3 inclusion in studied samples. 10Bi2O3-70B2O3-20Li2O (mol%) glass has greater total cross-section (=23.251 cm−1) for thermal neutrons absorption while 55Bi2O3-35B2O3-10Li2O (mol%) sample exhibits quality shielding factors for photons and fast neutrons confirming the included Bi2O3 positive impact. Along with nuclear attenuation features various physical and mechanical aspects are also inspected. Derived Vm (molar volume), OPD (oxygen packing density), Vo (oxygen molar volume), Vt (packing density) and Gt (dissociation energy per unit volume) values indicated glasses rigidity. Following Makishima–Mackenzie's theoretical model primary mechanical features like Y, K, S and L (Young's, bulk, shear and longitudinal modulus) and σ (Poisson's ratio) are evaluated where 10Bi2O3-70B2O3-20Li2O (mol%) glass shows better elastic moduli in all samples.
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