GitHub - tmawyin/SensitivityMaterials: Sensitivity of material properties using molecular dynamics simulations

Sensitivity Analysis of Materials simulated via Molecular Dynamics

Two material systems are in use: graphene and aluminum The MD code is divided for the two material system:

The two folders provide the python code to generate:

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
Graphene		Graphene
Metals		Metals
Al_Ecohesive_LatticeParam.in		Al_Ecohesive_LatticeParam.in
Al_InterstitialEnergy.in		Al_InterstitialEnergy.in
Al_Sigma5.in		Al_Sigma5.in
Al_StackingFault.in		Al_StackingFault.in
Al_SurfaceEnergy.in		Al_SurfaceEnergy.in
Al_TensileTesting.in		Al_TensileTesting.in
Al_VacancyEnergy.in		Al_VacancyEnergy.in
Readme.md		Readme.md
graphene_E_Pristine.in		graphene_E_Pristine.in
graphene_Eform_555777.in		graphene_Eform_555777.in
graphene_Eform_5577.in		graphene_Eform_5577.in
graphene_Eform_585.in		graphene_Eform_585.in
graphene_Eform_59.in		graphene_Eform_59.in
graphene_Egb_Sigma37.in		graphene_Egb_Sigma37.in