Ab initio calculation of rarefied flows of helium-neon mixture: classical vs quantum scatterings

Lianhua Zhu, Lei Wu, Yonghao Zhang, Felix Sharipov

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3 Citations (Scopus)
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In order to faithfully simulate rarefied gas flows of light-weight molecules at cryogenic temperatures down to several kelvins, the Boltzmann equation with the differential cross section calculated from the realistic intermolecular potential should be applied. In the present work, the direct simulation Monte Carlo (DSMC) method with ab initio intermolecular potentials is first implemented into the open-source software dsmcFoam+ for the simulation of general rarefied gas flows. Then, Fourier and Couette flows of the helium-neon mixture are studied for the temperature ranging from 10 K to 2000 K, where the differential cross sections calculated from both classical and quantum mechanics have been used. Our simulation results show that the quantum scattering effects on the heat flux and shear stress are non-negligible when the equilibrium temperature is lower than 500 K. Also, for the Fourier flow, the mole fraction distributions calculated from the quantum scattering are significantly different from those of classical scattering.

Original languageEnglish
Article number118765
Number of pages11
JournalInternational Journal of Heat and Mass Transfer
Early online date27 Sep 2019
Publication statusPublished - 31 Dec 2019


  • quantum scattering
  • heat transfer
  • direct simulation Monte Carlo
  • ab-initio potential


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