MD simulations of shock propagation and spallation in polymers
Our article on MD simulations of shock propagation and spallation in polymers has been published in the Journal of Applied Mechanics.
Nuwan Dewapriya's blog
Energy absorption mechanisms of nanoscopic multilayer structures under ballistic impact loading
Our latest article on the ballistic performance of polymer/metal nanostructures is freely available for 50 days from today: https://authors.elsevier.com/a/1cy9c3In-urcWx
Atomic-Scale Investigation on the Mechanical Behavior of Ultrathin Multilayers Under Shock Loading
Recent advances in microprojectile impact tests have opened a new route to explore the behaviors of nanomaterials under extreme dynamic conditions. For example, impact tests have revealed that the specific penetration energies of ultrathin polymer films are remarkably high compared to the energies of conventional protective materials. The current experimental techniques are, however, unable to elucidate some of the complex atomistic mechanisms associated with the penetration process, which can only be realized through atomistic simulations.
Molecular Dynamics Simulation of a Polymer-Metal Interface in LAMMPS
We are currently investigating the impact resistance of multilayers using molecular dynamics. This project showed us that modeling material interfaces could be challenging even for someone with a background in atomic simulations. Therefore, we thought of sharing some useful information and the LAMMPS input files to model the aluminum-polyurethane interface (shown above). Please see here: https://github.com/nuwan-d/polymer_metal_interface
Characterizing fracture stress of defective graphene samples using shallow and deep artificial neural networks
Abstract: Advanced machine learning methods could be useful to obtain novel insights into some challenging nanomechanical problems. In this work, we employed artificial neural networks to predict the fracture stress of defective graphene samples. First, shallow neural networks were used to predict the fracture stress, which depends on the temperature, vacancy concentration, strain rate, and loading direction.
Performing Uniaxial Tensile Tests of Graphene in LAMMPS
I would like to share the codes required to perform an end-to-end molecular dynamics simulation, which will be useful to the novice researchers in the filed of atomistic simulations. I focus on simulating uniaxial tensile tests of a graphene sample in the LAMMPS molecular dynamics simulator, and I have attached two MATLAB scripts to create the input files for LAMMPS and to extract data from the LAMMPS output file.