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- W2806160710 abstract "The prediction of a stable polymorph that gets selected during crystallization of a complex fluid has remained an uphill task. The free energy landscape responsible for crystallization can be complex (with multiple metastable minima) even for relatively simple systems like hard spheres and charged stabilized colloids. In this work, using hard-core repulsive Yukawa model, which is known to show complex phase behavior consisting of fluid, FCC and BCC phases, we studied the interplay between the free energy landscape and polymorph selection during crystallization. When the stability of the BCC phase with respect to the fluid phase is gradually increased by changing the temperature and pressure at a fixed fluid-FCC stability, the final phase formed by crystallization is found to undergo a switch from the FCC to the BCC phase, even though FCC remains thermodynamically the most stable phase. We further show that the nature of local bond-orientational order parameter fluctuations in the metastable fluid phase as well as the composition of the critical cluster depend delicately on the free energy landscape, and play a decisive role in the polymorph selection during crystallization." @default.
- W2806160710 created "2018-06-13" @default.
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- W2806160710 date "2018-06-02" @default.
- W2806160710 modified "2023-09-27" @default.
- W2806160710 title "Polymorph selection in crystallization is coded in the free energy landscape: Signatures in bond-orientational order parameter fluctuations" @default.
- W2806160710 hasPublicationYear "2018" @default.
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