Heterogeneous nucleation of Al melt in symmetrical or asymmetrical confined nanoslits

Xuyan Zhou; Sida Liu; Long Wang; Yifan Li; Weikang Wu; Yunrui Duan; Hui Li

doi:10.1039/c6nr00360e

Heterogeneous nucleation of Al melt in symmetrical or asymmetrical confined nanoslits

Xuyan Zhou
, Sida Liu
, Long Wang
, Yifan Li
, Weikang Wu
, Yunrui Duan
, Hui Li

Shandong University

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

MD simulations are performed to study the solidification of Al melt in confined nanoslits (NSs) constructed by identical or different substrates, as well as on Fe substrates. Compared to the single substrate, the confined NS could promote the crystallization of Al melt, and its size has a significant impact on the solidified structure. In symmetrical NSs, liquid Al atoms would stack based on the atomic arrangement mode of the substrate, however in asymmetrical confined NSs, the atomic arrangement mode of liquid Al is governed by the constitution of asymmetrical substrates. Specifically, for the NS formed by Fe(110) and Fe(111) substrates, the induced region from the Fe(110) substrate is much bigger than that from Fe(111). Moreover, the freezing of liquid Al in asymmetrical NSs constructed from copper and iron has also been studied. These results throw light on heterogeneous nucleation in confined space.

Original language	English
Pages (from-to)	12339-12346
Number of pages	8
Journal	Nanoscale
Volume	8
Issue number	24
DOIs	https://doi.org/10.1039/c6nr00360e
State	Published - 28 Jun 2016
Externally published	Yes

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title = "Heterogeneous nucleation of Al melt in symmetrical or asymmetrical confined nanoslits",

abstract = "MD simulations are performed to study the solidification of Al melt in confined nanoslits (NSs) constructed by identical or different substrates, as well as on Fe substrates. Compared to the single substrate, the confined NS could promote the crystallization of Al melt, and its size has a significant impact on the solidified structure. In symmetrical NSs, liquid Al atoms would stack based on the atomic arrangement mode of the substrate, however in asymmetrical confined NSs, the atomic arrangement mode of liquid Al is governed by the constitution of asymmetrical substrates. Specifically, for the NS formed by Fe(110) and Fe(111) substrates, the induced region from the Fe(110) substrate is much bigger than that from Fe(111). Moreover, the freezing of liquid Al in asymmetrical NSs constructed from copper and iron has also been studied. These results throw light on heterogeneous nucleation in confined space.",

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T1 - Heterogeneous nucleation of Al melt in symmetrical or asymmetrical confined nanoslits

AU - Zhou, Xuyan

AU - Liu, Sida

AU - Wang, Long

AU - Li, Yifan

AU - Wu, Weikang

AU - Duan, Yunrui

AU - Li, Hui

PY - 2016/6/28

Y1 - 2016/6/28

N2 - MD simulations are performed to study the solidification of Al melt in confined nanoslits (NSs) constructed by identical or different substrates, as well as on Fe substrates. Compared to the single substrate, the confined NS could promote the crystallization of Al melt, and its size has a significant impact on the solidified structure. In symmetrical NSs, liquid Al atoms would stack based on the atomic arrangement mode of the substrate, however in asymmetrical confined NSs, the atomic arrangement mode of liquid Al is governed by the constitution of asymmetrical substrates. Specifically, for the NS formed by Fe(110) and Fe(111) substrates, the induced region from the Fe(110) substrate is much bigger than that from Fe(111). Moreover, the freezing of liquid Al in asymmetrical NSs constructed from copper and iron has also been studied. These results throw light on heterogeneous nucleation in confined space.

AB - MD simulations are performed to study the solidification of Al melt in confined nanoslits (NSs) constructed by identical or different substrates, as well as on Fe substrates. Compared to the single substrate, the confined NS could promote the crystallization of Al melt, and its size has a significant impact on the solidified structure. In symmetrical NSs, liquid Al atoms would stack based on the atomic arrangement mode of the substrate, however in asymmetrical confined NSs, the atomic arrangement mode of liquid Al is governed by the constitution of asymmetrical substrates. Specifically, for the NS formed by Fe(110) and Fe(111) substrates, the induced region from the Fe(110) substrate is much bigger than that from Fe(111). Moreover, the freezing of liquid Al in asymmetrical NSs constructed from copper and iron has also been studied. These results throw light on heterogeneous nucleation in confined space.

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Heterogeneous nucleation of Al melt in symmetrical or asymmetrical confined nanoslits

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