When ice grows, the growth rates are unequal along different growth directions and some layers contain planar defective regions. With the aim of helping to understand these phenomena, we report the molecular dynamics simulations of ice growth on the basal and prismatic faces of initial hexagonal ice, using the TIP5P-E water model. By presenting the time evolution of the two-dimensional density profiles of water molecules in each layer and the kinetics of layer formation during ice growth at the temperature of 11 K supercooling, we show that two forms of ice arrangements, hexagonal and cubic, develop competitively within the same ice layer on the basal face, whereas such in-layer stacking-competition is insignificant on the prismatic face. It is shown that, on the basal face, the occurrence of significant in-layer stacking competition in one of the layers significantly delays the layer formation in several overlying layers and explains the overall delay in ice growth on the basal face compared to that on the prismatic face. In addition, it is observed that large planar defects form on the basal face, as a consequence of the long-lasting in-layer stacking competition when the overlying layer grows rapidly.
Skip Nav Destination
Article navigation
7 January 2014
Research Article|
January 02 2014
In-layer stacking competition during ice growth
Saehyun Choi;
Saehyun Choi
a)
Department of Chemistry and Nano Science, Ewha Global Top 5 Program,
Ewha Womans University
, Seoul 120-750, South Korea
Search for other works by this author on:
Eunseon Jang;
Eunseon Jang
a)
Department of Chemistry and Nano Science, Ewha Global Top 5 Program,
Ewha Womans University
, Seoul 120-750, South Korea
Search for other works by this author on:
Jun Soo Kim
Jun Soo Kim
b)
Department of Chemistry and Nano Science, Ewha Global Top 5 Program,
Ewha Womans University
, Seoul 120-750, South Korea
Search for other works by this author on:
a)
S. Choi and E. Jang contributed equally to this work.
b)
Electronic mail: [email protected]
J. Chem. Phys. 140, 014701 (2014)
Article history
Received:
November 04 2013
Accepted:
December 06 2013
Connected Content
A correction has been published:
Publisher's Note: “In-layer stacking competition during ice growth” [J. Chem. Phys. 140, 014701 (2014)]
Citation
Saehyun Choi, Eunseon Jang, Jun Soo Kim; In-layer stacking competition during ice growth. J. Chem. Phys. 7 January 2014; 140 (1): 014701. https://doi.org/10.1063/1.4852180
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Dielectric profile at the Pt(111)/water interface
Jia-Xin Zhu, Jun Cheng, et al.