Optimized utilization of COMB3 reactive potentials in LAMMPS

Keyphrases

• Reactive Potential 100%
• COMB3 100%
• LAMMPS 100%
• Relaxation Time 66%
• Interatomic Potential 66%
• Temperature Relaxation 66%
• Viscosity 33%
• Charge Transfer 33%
• Classical Molecular Dynamics Simulations 33%
• Molecular Interactions 33%
• Atomic Layers 33%
• Third Generation 33%
• Water Droplet 33%
• Many-body 33%
• Nanodroplets 33%
• System Temperature 33%
• Solid-liquid Interaction 33%
• Number of Atoms 33%
• (111) Surface 33%
• Langevin Thermostat 33%
• Relaxation Rate 33%
• Bare Copper 33%
• Simulation Time-step 33%
• Water Nanodroplet 33%

Engineering

• Equilibration 100%
• Interatomic Potential 100%
• Fluid Viscosity 50%
• Input Parameter 50%
• Simulation Time 50%
• System Temperature 50%
• Atomic Layer 50%
• Longest Relaxation Time 50%