Journal article

Molecular dynamics simulations of the liquid-vapor interface of a molten salt. II. Finite size effects and comparison to experiment

Abstract:: The effects of finite system size on the calculated interfacial properties of the molten salt KI were examined. It was noticed that finite size effects were accounted for by the predictions of capillary wave (CW) theory, for system size beyond 1000 ions. Additional long-range effects arising from the Coulombic interactions did not appear for this reason. System size dependent artefacts were eliminated from sources due to the techniques used to avoid truncation effects in the Coulombic and dispersion interactions.

Publication status:: Published

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APA Style

Aguado, A., Scott, W., & Madden, P. (2001). Molecular dynamics simulations of the liquid-vapor interface of a molten salt. II. Finite size effects and comparison to experiment. JOURNAL OF CHEMICAL PHYSICS, 115(18), 8612–8619.

MLA Style

Aguado, A., et al. “Molecular Dynamics Simulations of the Liquid-Vapor Interface of a Molten Salt. II. Finite Size Effects and Comparison to Experiment.” JOURNAL OF CHEMICAL PHYSICS, vol. 115, no. 18, 2001, pp. 8612–19.

Chicago Style

Aguado, A, W Scott, and P Madden. 2001. “Molecular Dynamics Simulations of the Liquid-Vapor Interface of a Molten Salt. II. Finite Size Effects and Comparison to Experiment.” JOURNAL OF CHEMICAL PHYSICS 115 (18): 8612–19.
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Publisher copy:: 10.1063/1.1410394

Authors

+ Aguado, A More by this author

Role:: Author

+ Scott, W More by this author

Role:: Author

+ Madden, P More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Materials
Role:: Author

Journal:: JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:: 115
Issue:: 18
Pages:: 8612-8619
Publication date:: 2001-11-01
DOI:: 10.1063/1.1410394
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:369776
UUID:: uuid:7872e799-efcf-48b9-bb5c-945c1d7d7b22
Local pid:: pubs:369776
Source identifiers:: 369776
Deposit date:: 2013-11-16

Terms of use

Copyright date:: 2001

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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