Multiscale simulations of graphite-capped polyethylene melts: brownian dynamics/kinetic Monte Carlo compared to atomistic calculations and experiment

Chemistry

• Time 100%
• Polymer 83%
• Simulation 66%
• Molecular Dynamics 66%
• Chemical Kinetics Characteristics 50%
• Procedure 33%
• Concentration 33%
• Polymer Chain 33%
• Graphite 33%
• Macromolecule 33%
• Atomistic Simulation 33%
• Rate Constant 33%
• Analytical Method 16%
• Diffusion 16%
• Energy 16%
• Solid 16%
• Residence Time 16%
• Sample 16%
• Length 16%
• Reaction Yield 16%
• Sorption 16%
• Relaxation 16%
• Analytic Solution 16%
• Slope 16%
• Molar Mass 16%
• Stiffness 16%
• Cumulative 16%
• Interfacial Structure 16%

Physics

• Simulation 66%
• Model 50%
• Kinetics 50%
• Interface Property 50%
• Monte Carlo 33%
• Polyethylene 33%
• Graphite 33%
• Impact 16%
• Diffusivity 16%
• Information 16%
• Particle 16%
• Solid State 16%
• Solid Surfaces 16%
• Distance 16%
• Calculation 16%
• Substrates 16%
• Adsorption 16%
• Autocorrelation 16%
• Relaxation Time 16%

Material Science

• Solid Interface 100%
• Polymer 83%
• Solid 16%