Dresden 2017 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 16: Poster: Modelling and Simulation of Soft Matter
CPP 16.6: Poster
Montag, 20. März 2017, 18:30–21:00, P1C
Application of molecular dynamics simulations to the elasto plastic model — •Lawrence Smith and Andreas Heuer — Institute of Physical Chemistry, WWU Münster, Germany
We are studying the rheology of amorphous solids through the coupling of minimal systems in the athermal limit. This ansatz is based on an exisiting elasto plastic model [1] while reducing the abstraction by using real molecular dynamics (MD) simulations as microscopic states.
For the microscopic systems, a well investigated Lennard-Jones model of N=130 particles is employed. This size approximately corresponds to the number of particles known to participate in a plastic rearrangement. Multiple instances of this system are arranged on a lattice and interact during plastic events by distributing shear stresses. This distribution follows the standard elastic propagator cos(4θ)/r2.
We study the relevant ingredients of this model to identify plasticity during running MD simulations. Of key interest are the impact of the coupling on stress drop distributions and spatial correlations of plasticity as well as on the behaviour of the system during row.
[1] Nicolas, A., Martens, K. and Barrat, J. L. EPL 107, 44003 (2014)