凝集を通じた結晶成長の原子レベルのメカニズムを解明(New Study Unveils Atomic-Level Mechanisms of Crystal Growth Through Coalescence)

2025-07-24 中国科学院(CAS)

中国科学院新疆物理化学工科研究所、米国ローレンス・リバモア国立研究所、ポルトガル国際イベリアナノテクノロジー研究所の共同研究チームは、結晶成長の原子レベルでのメカニズムを解明した。電子顕微鏡を用いた観察により、五つ子双晶構造(5-FT)を持つ金ナノ結晶が融合(コアレス)して成長する際の過程を詳細に記録した。6–11nmの小結晶同士の融合では「脱双晶化」により欠陥が減少し、大きさや欠陥密度、接近経路が成長率と構造に影響することが判明。また、臨界サイズを超えると多重双晶構造が形成されやすくなることも明らかになった。これらの成果は、材料科学や欠陥工学への応用に寄与する。

<関連情報>

五重対称性双晶媒介の融合における原子スケールダイナミクス:経路依存性と欠陥支配の非古典的成長メカニズム Atomic-Scale Dynamics of Five-Fold Twin Mediated Coalescence: Pathway-Dependent and Defect-Governed Nonclassical Growth Mechanisms

Hongshan Wang,Miriding Mutailipu,Loukya Boddapati,Amit Samanta,Francis Leonard Deepak,and Junjie Li
Journal of the American Chemical Society  Published: June 9, 2025
DOI:https://doi.org/10.1021/jacs.5c06375

Abstract

凝集を通じた結晶成長の原子レベルのメカニズムを解明(New Study Unveils Atomic-Level Mechanisms of Crystal Growth Through Coalescence)

Defective crystals with distinct properties have been discovered in many systems. However, the growth mechanism of defective crystals is still poorly understood. Here, using a 5-fold twinned gold (Au) nanocrystal (NC) as a model system, three new coalescence pathways involving detwinning or twinning have been uncovered through atomic-scale dynamic observations in an aberration-corrected transmission electron microscope coupled with atomistic simulations. This demonstrates that beyond crystal size, coalescence growth dynamics involving 5-fold twins (5-FTs) are highly dependent on crystal defect density and the approach pathways of the crystals. When a 5-FT encounters a smaller 5-FT or a smaller NC in a face-to-face way, a new, larger 5-FT is produced at a relatively fast coalescence growth rate; while in a corner-to-corner way, the coalescence dynamics are more retarded and sluggish, which is conducive to the formation of complex multitwined structures rather than 5-FTs. This highlights that the planar defect density and crystal approach pathway influence the coalescence dynamics of crystals containing 5-FT. Moreover, a column-by-column grain boundary (GB) migration mechanism, which results in bent GBs, was also unveiled during the crystal coalescence process. These results enrich the general understanding of the crystal growth theory and provide new insights into the controllable fabrication of 5-FTs by crystal coalescence mechanisms.

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