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Lattice Boltzmann versus Molecular Dynamics simulation of nano-hydrodynamic flows

posted by Connor Glosser, 06.10.2013, 17:46

Full title:
Lattice Boltzmann versus Molecular Dynamics simulation of nano-hydrodynamic flows

Juergen Horbach[1], Sauro Succi[2]
[1] Institut fur Physik, Johannes-Gutenberg-Universit at Mainz, Staudinger Weg 7, D-55099 Mainz, Germany
[2] Istituto Applicazioni Calcolo, CNR, V.le del Policlinico 1 37, 00161, Roma, Italy

Publication source:
Physical Review Letters 96, 224503 (2006)

DOI: 10.1103/PhysRevLett.96.224503

Publisher's link to the original article:

Link to the open access resource:

Owner of the open access resource:
Juergen Horbach

Nomination text:
As nanostructures and devices become ever more important, particularly in biological domains, it has become apparent that modeling not only the devices but their interactions with a surrounding fluid is critical. While a molecular dynamics approach gives a nearly complete (excepting quantum mechanical effects) physical description of a system, the computational cost makes MD completely infeasible for all but the smallest of systems. By discretion space into a lattice and considering the evolution (via a Boltzmann equation) of a distribution of particles at each lattice point, a Lattice Boltzmann model can capture a surprising amount of the relevant hydrodynamics at a greatly reduced computational cost. The authors present a comparison between MD and LB methods for a simple nanoscale flow and observe a surprising amount of agreement in the results.

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