A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison, +3

Journal of Physics Condensed Matter

EngineeringComputational ChemistrySolid CarbonChemistryPotential Energy Expression +14

A Combined Computational and Experimental Study of Ion-Beam Modification of Carbon Nanotube Bundles

Boris Ni, Rodney Andrews, David A. Jacques, +5

The Journal of Physical Chemistry B

Carbon Nanotube BundlesEngineeringComputational ChemistryChemistryMolecular Dynamics +22

A reactive empirical bond order (REBO) potential for hydrocarbon–oxygen interactions

Boris Ni, Kiho Lee, Susan B. Sinnott

Journal of Physics Condensed Matter

EngineeringSeveral MoleculesComputational ChemistryChemistryMolecular Dynamics +15

Tribological properties of carbon nanotube bundles predicted from atomistic simulations

Boris Ni, Susan B. Sinnott

Surface Science

Materials ScienceNanotribologyCarbon Nanotube BundlesEngineeringCarbon-based Material +9

Chemical functionalization of carbon nanotubes through energetic radical collisions

Boris Ni, Susan B. Sinnott

Physical review. B, Condensed matter

EngineeringEnergetic Radical CollisionsComputational Nanostructure ModelingComputational ChemistryChemistry +17

Effect of polyatomic ion structure on thin-film growth: Experiments and molecular dynamics simulations

Muthu B. J. Wijesundara, Yuan Ji, Boris Ni, +2

Journal of Applied Physics

EngineeringDifferent FluorocarbonComputational ChemistryChemistryMolecular Dynamics +17

Thermal transport in polyethylene and at polyethylene–diamond interfaces investigated using molecular dynamics simulation

Boris Ni, Taku Watanabe, Simon R. Phillpot

Journal of Physics Condensed Matter

EngineeringMechanical EngineeringMolecular Dynamics SimulationSoft MatterMolecular Dynamics +18

Thermal conductance across grain boundaries in diamond from molecular dynamics simulation

Taku Watanabe, Boris Ni, Simon R. Phillpot, +2

Journal of Applied Physics

EngineeringDiamond Grain BoundariesMolecular Dynamics SimulationInterfacial ConductanceMolecular Dynamics +17

Effects of unique ion chemistry on thin-film growth by plasma–surface interactions

Muthu B. J. Wijesundara, Luke Hanley, Boris Ni, +1

Proceedings of the National Academy of Sciences

Thin Film PhysicsEngineeringChemistryPlasma ProcessingPolymer Processing +17

Protonolysis of the Hg−C Bond of Chloromethylmercury and Dimethylmercury. A DFT and QTAIM Study

Boris Ni, James R. Kramer, Russell A. Bell, +1

The Journal of Physical Chemistry A

Hg−c BondEngineeringThiolate ComplexesProton-coupled Electron TransferOrganic Chemistry +15