Standard

Computer simulations studies of solid-liquid phase transitions in solid water nano particles. / Egorov, Andrei V.; Brodskaya, Elena N.; Laaksonen, Aatto.

In: Journal of Computational and Theoretical Nanoscience, Vol. 5, No. 9, 09.2008, p. 1914-1922.

Research output: Contribution to journal › Review article › peer-review

Harvard

Egorov, AV, Brodskaya, EN & Laaksonen, A 2008, 'Computer simulations studies of solid-liquid phase transitions in solid water nano particles', Journal of Computational and Theoretical Nanoscience, vol. 5, no. 9, pp. 1914-1922. https://doi.org/10.1166/jctn.2008.905

APA

Egorov, A. V., Brodskaya, E. N., & Laaksonen, A. (2008). Computer simulations studies of solid-liquid phase transitions in solid water nano particles. Journal of Computational and Theoretical Nanoscience, 5(9), 1914-1922. https://doi.org/10.1166/jctn.2008.905

Vancouver

Egorov AV, Brodskaya EN, Laaksonen A. Computer simulations studies of solid-liquid phase transitions in solid water nano particles. Journal of Computational and Theoretical Nanoscience. 2008 Sep;5(9):1914-1922. https://doi.org/10.1166/jctn.2008.905

Author

Egorov, Andrei V. ; Brodskaya, Elena N. ; Laaksonen, Aatto. / Computer simulations studies of solid-liquid phase transitions in solid water nano particles. In: Journal of Computational and Theoretical Nanoscience. 2008 ; Vol. 5, No. 9. pp. 1914-1922.

BibTeX

@article{ac04269909814f198a1d583b4d235f18,
title = "Computer simulations studies of solid-liquid phase transitions in solid water nano particles",
abstract = "A comprehensive review of solid-liquid phase transition studies based on molecular computer simulations is given. Topics such as reliable characterization of phase transition temperature, heating and freezing rates used in simulations, the significance of the initial configurations in solid water clusters, polymorphic solid-solid transitions masking the melting point and the question of reliability of current water interaction potentials, originally developed to study liquid bulk water are discussed. Results from melting and freezing studies are discussed, including with the presence of applied electric field. Several simple physical models relating the melting temperature to cluster size and thereby to the number of molecules in the clusters are compared to simulation results. The large bulk of simulations carried out using SPC/E and TIP4P water models allow a systematic comparison.",
keywords = "Computer simulations, Melting, Solid-liquid phase transitions, Water nano clusters",
author = "Egorov, {Andrei V.} and Brodskaya, {Elena N.} and Aatto Laaksonen",
note = "Copyright: Copyright 2009 Elsevier B.V., All rights reserved.",
year = "2008",
month = sep,
doi = "10.1166/jctn.2008.905",
language = "English",
volume = "5",
pages = "1914--1922",
journal = "Journal of Computational and Theoretical Nanoscience",
issn = "1546-1955",
publisher = "American Scientific Publishers",
number = "9",

}

RIS

TY - JOUR

T1 - Computer simulations studies of solid-liquid phase transitions in solid water nano particles

AU - Egorov, Andrei V.

AU - Brodskaya, Elena N.

AU - Laaksonen, Aatto

N1 - Copyright: Copyright 2009 Elsevier B.V., All rights reserved.

PY - 2008/9

Y1 - 2008/9

N2 - A comprehensive review of solid-liquid phase transition studies based on molecular computer simulations is given. Topics such as reliable characterization of phase transition temperature, heating and freezing rates used in simulations, the significance of the initial configurations in solid water clusters, polymorphic solid-solid transitions masking the melting point and the question of reliability of current water interaction potentials, originally developed to study liquid bulk water are discussed. Results from melting and freezing studies are discussed, including with the presence of applied electric field. Several simple physical models relating the melting temperature to cluster size and thereby to the number of molecules in the clusters are compared to simulation results. The large bulk of simulations carried out using SPC/E and TIP4P water models allow a systematic comparison.

AB - A comprehensive review of solid-liquid phase transition studies based on molecular computer simulations is given. Topics such as reliable characterization of phase transition temperature, heating and freezing rates used in simulations, the significance of the initial configurations in solid water clusters, polymorphic solid-solid transitions masking the melting point and the question of reliability of current water interaction potentials, originally developed to study liquid bulk water are discussed. Results from melting and freezing studies are discussed, including with the presence of applied electric field. Several simple physical models relating the melting temperature to cluster size and thereby to the number of molecules in the clusters are compared to simulation results. The large bulk of simulations carried out using SPC/E and TIP4P water models allow a systematic comparison.

KW - Computer simulations

KW - Melting

KW - Solid-liquid phase transitions

KW - Water nano clusters

UR - http://www.scopus.com/inward/record.url?scp=57649234541&partnerID=8YFLogxK

U2 - 10.1166/jctn.2008.905

DO - 10.1166/jctn.2008.905

M3 - Review article

AN - SCOPUS:57649234541

VL - 5

SP - 1914

EP - 1922

JO - Journal of Computational and Theoretical Nanoscience

JF - Journal of Computational and Theoretical Nanoscience

SN - 1546-1955

IS - 9

ER -

ID: 75469388