A nuclear qunatum effect on the transport properties of liquid hydrogen

Hiroki Nagashima, Shin Ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, Koichi A. Hayashi, Takashi Tokumasu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In this paper the quantum effect of hydrogen molecule on its transport property is analyzed. Especially thermal conductivity of liquid hydrogen is evaluated using Molecular Dynamics (MD) method. Since the usual classical MD method cannot reproduce the quantum effect of hydrogen molecule, the path integral centroid MD (CMD) method [Cao and Voth 1999] is applied for the analysis. Non-equilibrium MD (NEMD) simulation method in which a heat flux is generated artificially in a system is used for the calculation of thermal conductivity to find out the quantum effect on the molecular mechanism of the energy transport. The thermal conductivity is derived by the Fourier’s law using the heat flux and temperature gradient. The calculation results are compared with those of classical MD results and experimental data. As a result, it is confirmed that taking account of the quantum effect produces the smaller thermal conductivity than classical MD case, whose tendency corresponds to the experimental data. Moreover, from a comparison of the molecular mechanism of the energy transport, it is clarified that the potential energy transport by molecular motion and the energy transport by intermolecular interaction decrease by the quantum effect of hydrogen molecule. The difference of energy transport mechanism can be considered to be caused by the change of the intermolecular interaction of hydrogen molecule due to the quantum effect.

Original languageEnglish
Title of host publicationProceedings of CONV-14
Subtitle of host publicationInternational Symposium on Convective Heat and Mass Transfer, 2014
PublisherBegell House Inc.
Pages491-499
Number of pages9
ISBN (Print)9781567003567
DOIs
Publication statusPublished - 2014
EventInternational Symposium on Convective Heat and Mass Transfer, CONV 2014 - Kusadasi, Turkey
Duration: 2014 Jun 82014 Jun 13

Publication series

NameInternational Symposium on Advances in Computational Heat Transfer
ISSN (Print)2578-5486

Conference

ConferenceInternational Symposium on Convective Heat and Mass Transfer, CONV 2014
Country/TerritoryTurkey
CityKusadasi
Period14/6/814/6/13

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Mechanical Engineering
  • Condensed Matter Physics
  • Computer Science Applications

Fingerprint

Dive into the research topics of 'A nuclear qunatum effect on the transport properties of liquid hydrogen'. Together they form a unique fingerprint.

Cite this