Molecular Dynamics Simulation of Marangoni Flow in a Cavity

Fuchs, Guido; Kuhlmann, Hendrik C.

doi:10.1115/icnmm2007-30137

Cited by 2 publications

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Non‐equilibrium molecular dynamics simulation of the thermocapillary effect

2012

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A very fundamental method is the usage of so-called molecular dynamics (MD) simulations [allen2003]. They model reality on a system of massive and charged particles (typically chosen so as to represent atoms), between which interparticle forces (chosen so as to represent intra-and intermolecular interactions) act, and solve the particle equations of motion under external constraints, that reproduce its interactions with the surroundings. Such a simulation could be considered as a numerical experiment, since the underlying assumptions are so fundamental that the system should, depending on their approximation of reality, also behave realistic on a larger scale in many situations.We go beyond previous MD simulations of interfacial systems by considering also stationary nonequilibrium situations, [marangoni1871]. We shall thus assume its underlying effect (more generally known as the Marangoni effect) in action.We then determine in detail the spatial distributions of different observables, that are related to the thermocapillary effect, and study their influences in parameter variations of the simulation system. Its flows depend, among other things, on the temperature gradient, the system geometry, and the viscosity of the liquids.

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