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This chapter explores the atomistic mechanisms underlying the crystal growth and sublimation of alkali halides, using carbon nanotubes (CNTs) as “nano-flasks.” Atomic-resolution millisecond imaging of NaCl nanocrystals (NCs) during crystal growth revealed that transiently formed surface clusters exhibited a disordered structure and dynamic behavior. These clusters, referred to as “floating islands (FIs),” were found to exhibit dynamicity arising from size-dependent bond shrinkage in small clusters. The role of heterogeneous environments and mechanical stimuli in promoting the formation and transformation of FIs was clarified. In contrast, during the sublimation of NaI NCs, no FIs were observed, highlighting a nanoscopic mechanistic asymmetry between crystal growth and sublimation.

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Transitions Between Molecules and Crystals: Molecular Dynamics in Crystal Growth and Sublimation on the Surface

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  • 发表日期：

    2026年

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  • Masaya Sakakibara

摘要

This chapter explores the atomistic mechanisms underlying the crystal growth and sublimation of alkali halides, using carbon nanotubes (CNTs) as “nano-flasks.” Atomic-resolution millisecond imaging of NaCl nanocrystals (NCs) during crystal growth revealed that transiently formed surface clusters exhibited a disordered structure and dynamic behavior. These clusters, referred to as “floating islands (FIs),” were found to exhibit dynamicity arising from size-dependent bond shrinkage in small clusters. The role of heterogeneous environments and mechanical stimuli in promoting the formation and transformation of FIs was clarified. In contrast, during the sublimation of NaI NCs, no FIs were observed, highlighting a nanoscopic mechanistic asymmetry between crystal growth and sublimation.