Molecular dynamics study on molecule-to-molecule energy transfer in fluid water

Taku Ohara, Hiroshi Odagiri

Research output: Contribution to journalArticlepeer-review


Energy transfer from a molecule to another one is an elementary process of heat conduction. To analyze its characteristics, a molecular dynamics study has been performed for liquid water at normal temperature using the SPC/E potential function. Contributions of individual molecules to increase of kinetic energy of molecules were evaluated by the newly defined intermolecular energy transfer rate (IETR). Magnitude of the instantaneous energy transfer rate is well correlated with the intermolecular distance. Hydrogen bond between molecules has a significant influence on the thermal phenomenon if the duration of the phenomenon is sufficiently long (>1 ps).

Original languageEnglish
Pages (from-to)31-35
Number of pages5
JournalInternational Journal of Heat and Technology
Issue numberSUPPL. 1
Publication statusPublished - 2000


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