Modified thermal periodic Poiseuille and Lees-Edwards boundary conditions for energy conservative dissipative particle dynamics

Jiayi Zhao, Shuo Chen, Liming Zhu, Yang Liu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

1 Citation (Scopus)

Abstract

Two kinds of thermal boundary conditions without wall particles in energy conservative dissipative particle dynamics method are investigated in present paper. Firstly, the original thermal periodic Poiseuille flow (PPF) was improved to avoid the unreasonable temperature shift by rebuilding the thermal equilibrium. Then a novel thermal Lees-Edwards (LE) boundary condition was proposed. The constant temperature gradient and uniform density distribution are obtained by rescaling the interaction between particle pairs, and the velocity components of particles for particles re-entering the boundaries. Finally, both the temperature and velocity gradient are integrated into the thermal LE to simulate a constant temperature different in a shear flow. The thermal LE provides a new way to study the thermal-mechanical coupled problems with less computational cost and artificial fluctuation of properties compared with traditional wall particle boundary conditions. Furthermore, it can also be easily extended to related particle-based methods, such as molecular dynamics and Brownian dynamics, etc.

Original languageEnglish
Article number105173
JournalInternational Communications in Heat and Mass Transfer
Volume123
DOIs
Publication statusPublished - Apr 2021

Keywords

  • Energy conservative dissipative particle dynamics
  • Lees-Edwards boundary condition
  • Thermal boundary condition

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Chemical Engineering(all)
  • Condensed Matter Physics

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