Determination of mechanical properties by using MD

Virtual mechanical testing of materials was done by using Molecular Dynamics simulations.

For further details, please refer to the following publication:

Le, T. T.; Guilleminot, J.; Soize, C. Stochastic Continuum Modeling of Random Interphases from Atomistic Simulations. Application to a Polymer Nanocomposite. Computer Methods in Applied Mechanics and Engineering 2016, 303, 430–449. Link