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<p>The influence of local field correction functions (LFCFs) within the pseudopotential formalism on the atomic transport of Liquid 3<i>d</i> transition metals has been studied using hard sphere (HS) theories and universal scaling laws (USLs). We have chosen Bretonnet-Silbert (BS) pseudopotential model with 5 distinct LFCFs proposed by Ichimaru-Utsumi (IU), Vashishta-Singwi (VS), Sarkar et al. (S), Taylor (T) and Farid et al. (F) for variation of effective interionic interaction. Effective HS diameter and excess entropy are basic ingredients of this study which have been determined employing variational modified hypernetted chain integral equation theory along with BS model. Calculated results using USLs are found to be more sensitive to applied LFCFs than those obtained by HS theories. Comparing with available studies, this study shows that HS theories provide more reliable results than USLs. For USLs, S-LFCF provides better results than other LFCFs for most of the systems examined.</p>

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Atomic transport coefficients of liquid 3d transition metals: insights from local field corrections

  • 期刊论文

  • 发表日期：

    2025年10月6日

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  • Addreta Romman,
  • Utshob Bhattacharjee,
  • R. C. Gosh

摘要

The influence of local field correction functions (LFCFs) within the pseudopotential formalism on the atomic transport of Liquid 3d transition metals has been studied using hard sphere (HS) theories and universal scaling laws (USLs). We have chosen Bretonnet-Silbert (BS) pseudopotential model with 5 distinct LFCFs proposed by Ichimaru-Utsumi (IU), Vashishta-Singwi (VS), Sarkar et al. (S), Taylor (T) and Farid et al. (F) for variation of effective interionic interaction. Effective HS diameter and excess entropy are basic ingredients of this study which have been determined employing variational modified hypernetted chain integral equation theory along with BS model. Calculated results using USLs are found to be more sensitive to applied LFCFs than those obtained by HS theories. Comparing with available studies, this study shows that HS theories provide more reliable results than USLs. For USLs, S-LFCF provides better results than other LFCFs for most of the systems examined.