Concentration dependent structural parameters of liquid Al-Fe alloys

24th Condensed Matter Days National Conference

Lalnuntluanga, C.^1 ; Mishra, Raj Kumar^1

Department of Chemistry, School of Physical Sciences, Mizoram University, Aizawl

796004, India^1

关键词: Concentration-dependent;    Direct correlation functions;    Hard-sphere mixtures;    Mean-spherical models;    Nearest neighbor distance;    Radial distribution functions;    Square-well potentials;    Structural parameter;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/765/1/012009/pdf
DOI  :  10.1088/1742-6596/765/1/012009

来源: IOP

【 摘 要 】

Square well potential is perturbed over Lebowtiz solution of hard sphere mixtures to determine direct correlation function,C(0)ij(r) in repulsive and attractive regions under Mean Spherical Model Approximation [1]. Obtained direct correlation functions were employed to derive partial structure factors and then total structure factor, S(k) in liquid Al-Fe alloy at different atomic percent of Al. Fourier transform of partial and total structure factors gives partial and total radial distribution functions, g(r) from which partial and total coordination numbers and the partial nearest-neighbor distances were computed.