TY - JOUR
T1 - Can thin disk-like ice clusters be more stable than compact droplet-like ice clusters?
AU - Tanaka, Hideki
AU - Yamamoto, Ryoichi
AU - Koga, Kenichiro
AU - Zeng, X. C.
N1 - Funding Information:
The authors thank Professors I. Ohmine, H. E. Stanley, L.S. Bartell and J. Slovak for helpful discussion. This work was supported by a Grant-in-Aid from the Ministry of Education and by Computer Center of IMS (HT and RY), and by the NSF (XCZ and KK).
PY - 1999/5/7
Y1 - 1999/5/7
N2 - The relative stability of water clusters of two different morphologies has been examined with the size N ranging from 54 to 864; the first one is a circular fragment of bilayer ice (a disk-like cluster), and the second one is a spherical fragment of normal cubic ice (a droplet-like cluster). We found a crossover at Nc ≃ 1000, below which the disk-like cluster becomes more energetically favorable. The crossover arises because the potential energy (per molecule) for the droplet-like cluster decreases linearly with N-1/3 whereas it decreases by N-1/2 for the disk-like cluster.
AB - The relative stability of water clusters of two different morphologies has been examined with the size N ranging from 54 to 864; the first one is a circular fragment of bilayer ice (a disk-like cluster), and the second one is a spherical fragment of normal cubic ice (a droplet-like cluster). We found a crossover at Nc ≃ 1000, below which the disk-like cluster becomes more energetically favorable. The crossover arises because the potential energy (per molecule) for the droplet-like cluster decreases linearly with N-1/3 whereas it decreases by N-1/2 for the disk-like cluster.
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U2 - 10.1016/S0009-2614(99)00293-6
DO - 10.1016/S0009-2614(99)00293-6
M3 - Article
AN - SCOPUS:0011691841
SN - 0009-2614
VL - 304
SP - 378
EP - 384
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -