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Nuwan Dewapriya's picture

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.

Kmomeni's picture

PhD Position in Multiscale Modeling of Hierarchical Materials

A PhD position is open for summer or fall 2017 in Advanced Hierarchical Materials by Design Lab at Louisiana Tech University on multiscale modeling of hierarchical materials with an emphasis on nanocomposites. The candidates must have earned a M.Sc. degree in Mechanical Engineering or related fields and have a solid background in theoretical and computational mechanics, specifically continuum mechanics and finite element modeling, and need to have the knowledge of writing computer code (preferably using C/C++).

Dibakar Datta's picture

FREE Registration : School on Molecular Dynamics for Biomolecules and Nanomaterials

 

Dr. Axel Kohlmeyer , one of the LAMMPS code developers, is organizing FREE School on Molecular Dynamics for Biomolecules and Nanomaterials at Temple University, Philadelphia (August 18th - 22nd, 2014)

 Detail Schedule is Available Here 

Nuwan Dewapriya's picture

Visualizing LAMMPS molecular dynamics trajectories using visual molecular dynamics (VMD)

It is very important to visualize molecular dynamics (MD) trajectories since there are many aspects of MD simulations which are difficult to identify without a proper visualization tool. Improper bounday condition in MD is one of such examples. I use Visual Molecular Dynamics (VMD) to visualize my MD simulations. Some of my movies, created using VMD, are shown below.

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