ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets

Physics & Astronomy

• boron nitrides 55%
• molecular dynamics 37%
• water 29%
• simulation 19%
• porosity 16%
• molecules 15%
• structural stability 13%
• nitrogen atoms 6%
• agglomeration 6%
• hydrogen bonds 6%
• field theory (physics) 5%
• hydrogen atoms 5%
• temperature 5%
• boron 5%
• chemistry 4%
• dissociation 4%
• trajectories 4%
• adsorption 4%
• room temperature 3%
• defects 3%
• atoms 2%
• interactions 2%

Medicine & Life Sciences

• boron nitride 100%
• Molecular Dynamics Simulation 58%
• Water 35%
• Temperature 20%
• Boron 8%
• Hydrogen Bonding 7%
• Hydrogen 6%
• Hydroxyl Radical 6%
• Adsorption 6%
• Nitrogen 5%

Chemical Compounds

• Boron Nitride 59%
• Nanosheet 43%
• Simulation 33%
• Molecule 10%
• Pore Size 9%
• Crystal Vacancy 8%
• Pore 7%
• Agglomeration 5%
• Hydrogen Atom 5%
• Boron Atom 5%
• Nitrogen Atom 4%
• Molecular Dynamics 4%
• Dissociation 4%
• Force 3%
• Hydrogen Bond 3%
• Chemistry 3%
• Ambient Reaction Temperature 3%
• Adsorption 2%
• Application 1%