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Title: Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1283427
Grant/Contract Number:
AC05-76RL01830
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 94; Journal Issue: 2; Related Information: CHORUS Timestamp: 2016-08-05 18:12:54; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Lei, Huan, Baker, Nathan A., Wu, Lei, Schenter, Gregory K., Mundy, Christopher J., and Tartakovsky, Alexandre M.. Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations. United States: N. p., 2016. Web. doi:10.1103/PhysRevE.94.023304.
Lei, Huan, Baker, Nathan A., Wu, Lei, Schenter, Gregory K., Mundy, Christopher J., & Tartakovsky, Alexandre M.. Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations. United States. doi:10.1103/PhysRevE.94.023304.
Lei, Huan, Baker, Nathan A., Wu, Lei, Schenter, Gregory K., Mundy, Christopher J., and Tartakovsky, Alexandre M.. 2016. "Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations". United States. doi:10.1103/PhysRevE.94.023304.
@article{osti_1283427,
title = {Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations},
author = {Lei, Huan and Baker, Nathan A. and Wu, Lei and Schenter, Gregory K. and Mundy, Christopher J. and Tartakovsky, Alexandre M.},
abstractNote = {},
doi = {10.1103/PhysRevE.94.023304},
journal = {Physical Review E},
number = 2,
volume = 94,
place = {United States},
year = 2016,
month = 8
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevE.94.023304

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  • Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension,more » we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.« less
  • We present a novel formulation of the Pairwise Force Smoothed Particle Hydrodynamics Model (PF-SPH) and use it to simulate two- and three-phase flows in bounded domains. In the PF-SPH model, the Navier-Stokes equations are discretized with the Smoothed Particle Hydrodynamics (SPH) method and the Young-Laplace boundary condition at the fluid-fluid interface and the Young boundary condition at the fluid-fluid-solid interface are replaced with pairwise forces added into the Navier-Stokes equations. We derive a relationship between the parameters in the pairwise forces and the surface tension and static contact angle. Next, we demonstrate the accuracy of the model under static andmore » dynamic conditions. Finally, to demonstrate the capabilities and robustness of the model we use it to simulate flow of three fluids in a porous material.« less
  • Cited by 4
  • We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic DPD framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between particles, and an analytical formula is proposed to relate the mesoscopic concentration friction to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPDmore » simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.« less
  • Cited by 10