Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

Willis, L. Connor; Janicki, Tesia D.; Rao, Rekha R.; Liu, Z. Leonardo

doi:10.3390/cryst15020157

Title: Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

Journal Article · 03 February 2025 · Crystals

DOI: https://doi.org/10.3390/cryst15020157 · OSTI ID:2511159

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To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

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Sponsoring Organization:: USDOE

OSTI ID:: 2511159

Journal Information:: Crystals, Journal Name: Crystals Journal Issue: 2 Vol. 15; ISSN CRYSBC; ISSN 2073-4352

Publisher:: MDPI AGCopyright Statement

Country of Publication:: Germany

Language:: English

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