“On the simulation of planar homogeneous flows”
Wednesday 31 March 2021 h. 14:30 - Zoom - Francesca Tedeschi (Dipartimento di Matematica “Tullio Levi-Civita”)
This seminar presents a brief overview on Molecular Dynamics (NEMD) simulations.
The basics of NEMD will be reviewed to make the presentation as accessible as possible.Molecular Dynamics is a deterministic tecnique, used to produce statistical data about the behavior of non-Newtonian fluids or other materials at the microscopic scale. Computational efficiency imposes to consider only a portion of fluid (represented by the simulation box), and to apply periodic boundary conditions, i.e., surrounding that
box with periodic copies of its particles represented by a lattice deformed under the action of the imposed homogeneous flow.
Requirements of compatibility and reproducibility, that guarantee the reliability of the simulation for an indefinite time, will be explained, together with the algorithms to correctly impose the periodic boundary conditions.
The video of the seminar will appear shortly afterwards in this Mediaspace channel.