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MD-kMC Applications

Modeling of thin film deposition, Physical vapor deposition, Chemical vapor deposition, atomistic modeling, empirical models, multiphysics, multiscale modeling, SiO2, high-k, semiconductor, dielectric, carrier mobility, field-effect, thin film, transistor, material design,

  

Modeling of thin film deposition

Physical vapor deposition
Chemical vapor deposition

Interface engineering, Equilibrium interface structures, MD-kMC, molecular dynamics, physical modeling software, nanotechnology

Interface engineering

Equilibrium interface structures

Carbon nanostructure growth, Evolution of nanostructures, graphite sheet, graphene, Stone-Wales rearrangement, DFT,

 

Carbon nanostructure growth

Evolution of nanostructures

Nanoelectromechanical devices (NEMS), Tribological properties at nanoscale, CNT, SWNT, MWNT, carbon nanotubes, chirality, single-walled, multi-walled

 

Nanoelectromechanical devices (NEMS)

Tribological properties at nanoscale

carbon nanotube, thermal conductivity, nonequilibrium molecular dynamics, nano, nanostructure, material, engineering, advanced materials, physical properties, predictive modeling

 

Nonequilibrium molecular dynamics method for thermal conductivity

Calculation of thermal conductivity of ideal and defective CNT

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