A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow

@article{Nie2004ACA,
  title={A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow},
  author={Xiaobo Nie and Shiyi Chen and Mark O. Robbins},
  journal={Journal of Fluid Mechanics},
  year={2004},
  volume={500},
  pages={55 - 64}
}
A hybrid multiscale method is developed for simulating micro- and nano-scale fluid flows. The continuum Navier–Stokes equation is used in one flow region and atomistic molecular dynamics in another. The spatial coupling between continuum equations and molecular dynamics is achieved through constrained dynamics in an overlap region. The proposed multiscale method is used to simulate sudden-start Couette flow and channel flow with nano-scale rough walls, showing quantitative agreement with… 
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297 Citations
Highly Influential Citations
18
Background Citations
50
Methods Citations
60
Results Citations
3

297 Citations

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References

SHOWING 1-10 OF 18 REFERENCES
Hybrid model for combined particle and continuum dynamics
Differential equations for continuum fields describe many macroscopic phe- nomena. Hydrodynamics, for example, is described by the Navier-Stokes equations, and their solutions depend on boundary…
Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems
We present a formulation and numerical solution procedure for heterogeneous atomistic-continuum representations of fluid flows. The ingredients from atomistic and continuum perspectives are…
Continuum Deductions from Molecular Hydrodynamics
Since a fluid is composed of molecules, one always has the option of calculating its static or dynamic properties by computing the motion of these constituents. For most purposes such a procedure is…
Computational Methods in Fluid Flow
Molecular dynamics simulation for polymers in the presence of a heat bath.
  • Grest, Kremer
  • Materials Science
    Physical review. A, General physics
  • 1986
TLDR
An efficient and general algorithm for simulating polymers, which can be used for single, large chains as well as many-chain systems, and confirmed two theoretical results, namely the anomalous behavior of S(q) for rings and the ${t}^{0.54}$ power law for the motion of a monomer in a self-avoiding chain undergoing Rouse relaxation.
Hydrodynamic Model of Steady Movement of a Solid / Liquid / Fluid Contact Line
A general boundary condition for liquid flow at solid surfaces
Modelling fluid flows past a surface is a general problem in science and engineering, and requires some assumption about the nature of the fluid motion (the boundary condition) at the solid…
MICRO-ELECTRO-MECHANICAL-SYSTEMS (MEMS) AND FLUID FLOWS
TLDR
The micromachining technology that emerged in the late 1980s can provide micron-sized sensors and actuators that can be integrated with signal conditioning and processing circuitry to form micro-electromechanical-systems (MEMS) that can perform real-time distributed control.
LIQUIDS ON SOLID SURFACES: STATIC AND DYNAMIC CONTACT LINES
A contact line is formed at the intersection of two immiscible fluids and a solid. That the mutual interaction between the three materials in the immediate vicinity of a contact line can…
Stability in systems with moving contact lines
An energy stability theory is formulated for systems having moving contact lines. The method derives from criteria obtained from the integral mechanical-energy balance manipulated to reflect general…
...
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