Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows

International Journal for Numerical Methods in Fluids - Tập 91 Số 5 - Trang 228-246 - 2019
Zixiang Liu1,2, Yuanzheng Zhu1, Jonathan Clausen3, Jeremy B. Lechman3, Rekha R. Rao3, Cyrus K. Aidun4,1,2
1George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia
2Parker H. Petit Institute for Bioengineering and Bioscience, Georgia Institute of Technology, Atlanta, Georgia
3Sandia National Laboratories, Albuquerque, New Mexico
4Cyrus K. Aidun, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332.

Tóm tắt

SummaryA hybrid computational method coupling the lattice‐Boltzmann (LB) method and a Langevin‐dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long‐range many‐body hydrodynamic interactions (HIs). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two‐way coupled to the nonfluctuating LB fluid through a discrete LB forcing source distribution to capture the long‐range HI. To ensure intrinsically linear scalability with respect to the number of particles, a Eulerian‐host algorithm for short‐distance particle neighbor search and interaction is developed and embedded to LB‐LD framework. The validity and accuracy of the LB‐LD approach are demonstrated through several sample problems. The simulation results show good agreements with theory and experiment. The LB‐LD approach can be favorably incorporated into complex multiscale computational frameworks for efficiently simulating multiscale multicomponent particulate suspension systems such as complex blood suspensions.

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International Journal for Numerical Methods in Fluids

Tập 91 Số 5

228-246

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