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Reunión de Usuarios y Desarrolladores de Métodos de Simulación de Aragón

Molecular hydrodynamics meets fluctuating particle hydrodynamics

Prof. Rafael Delgado-Buscalioni,
Prof. Pep Español,
Prof. Ignacio Pagonabarraga Mora,

DATE OF EVENT : 04/05/2015       DURATION : 5 day(s)

LOCATION : ZCAM Campus Actur C/ Mariano Esquillor s/n Edificio I+D 50018 Zaragoza
URL : http://www.cecam.org/workshop-1192.html


In the realm of molecular hydrodynamics, we seek two sort of intertwined discussions:

-Theoretical: a modern revision of the classic subject of molecular hydrodynamics, and coarse-graining theories, where new scientist are now actively working with physics and mathematical grounds.
-Computational: how to implement these theoretical approaches on schemes for fluctuating particle hydrodynamics, including Eulerian-Lagrangian methods using immersed boundaries (finite volume, Lattice Boltzmann) and full-Lagrangian methods (SPH) of colloidal dispersions and polymer solutions.

These discussions will focus on the following problems:

-Translating the dynamics of medium size molecules and their small aggregates in a specific solvent to a hydrodynamic description where the solvent effect is implicit.
-Conceptual approaches that allow for a systematic and consistent derivation of effective potentials and effective friction at different levels of description without loosing connection with macroscopic
properties (e.g. intrinsic viscosity).
-Extensions to non-equilibrium states: the interplay between molecular and hydrodynamics effects on flow of nanoparticles (10-100 nm) at finite Peclet number.

Concerning multi-scheme approachs and hybrids. We will focus on different scales micro (Amstrongs to 100nm), meso (100nm-tens of microns) and macro (centimeters to meters).