Pinned Repositories
ab_initio_md_polymer
VASP input files required to conduct ab initio MD simulation of a short polyurethane chain.
deep_generative_neural_net
Contains trained cGANs, data, and MATLAB scripts used in our recent paper
fracture_of_grahene
A molecular dynamics tutorial for new researchers in the area of nanomechanics.
graphene_tensile_test
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
LAMMPS_tutorials_for_short_courses
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
md_impact_tests
Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).
MD_model_JAM-21-1174
Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
polymer_chain
LAMMPS files to simulate a small polyurethane chain
polymer_metal_interface
Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
SiC_polyurea_interface
Contains LAMMPS and VASP models used to compute nonbonded interaction parameters in Dewapriya and Miller, Extreme Mechanics Letters, vol. 44, 101238 (2021).
nuwan-d's Repositories
nuwan-d/LAMMPS_tutorials_for_short_courses
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
nuwan-d/polymer_metal_interface
Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
nuwan-d/graphene_tensile_test
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
nuwan-d/fracture_of_grahene
A molecular dynamics tutorial for new researchers in the area of nanomechanics.
nuwan-d/MD_model_JAM-21-1174
Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
nuwan-d/md_impact_tests
Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).
nuwan-d/polymer_chain
LAMMPS files to simulate a small polyurethane chain
nuwan-d/SiC_polyurea_interface
Contains LAMMPS and VASP models used to compute nonbonded interaction parameters in Dewapriya and Miller, Extreme Mechanics Letters, vol. 44, 101238 (2021).
nuwan-d/ab_initio_md_polymer
VASP input files required to conduct ab initio MD simulation of a short polyurethane chain.
nuwan-d/deep_generative_neural_net
Contains trained cGANs, data, and MATLAB scripts used in our recent paper
nuwan-d/quantum_md_of_shocked_polymers
Contains MD and DFT models of our recent publication Dewapriya and Miller, Computational Materials Science (2022) Vol. 203, 111166.
nuwan-d/shock_response_pe
Contains MD (LAAMPS) models and the DFT (VASP) model we used in our recent publication Dewapriya & Miller Journal of Applied Physics 131, 025102 (2022).
nuwan-d/dft_vasp_SiC_polymer
VASP input files required to conduct DFT calculations of the interface between silicon carbide and polyurethane.
nuwan-d/neural_networks_tutorials
Contains data and MATLAB scripts to reproduce some results in Dewapriya et al. Carbon, vol. 163, pp. 425-440, (2020).
nuwan-d/shock_response_of_polyurea
Contains MD and DFT models used in our recent publication