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Order Parameter Engineering for Random Systems

SwarnavaGhosh's picture

"Order Parameter Engineering for Random Systems" published in High Entropy Alloys and Materials


The chemical short-range order (CSRO) in crystalline materials infuences the properties, and its efect is signifcant in the context of multicomponent materials. We propose a scheme for the CSRO parameter or ∆-parameter in terms of the number of like and unlike bonds in the multicomponent systems. The OPERA or Order Parameter Engineering for RAndom Systems scheme for semi-canonical and canonical ensembles is proposed. The proposed framework of ∆-parameter with OPERA framework can generate the single-phase supercell with desired CSRO without explicit energy calculations and provides a computationally efcient scheme for exploration of the CSRO. We demonstrate the applicability of the ∆-parameter as a scalar quantity for describing the CSRO in multicomponent alloys and oxides (FCC-CoCrNi, BCC-MoNbTaW, and (CoCuMgNiZn)O).


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