36 citations · 36 across the 1 of their papers we have counts for
5 papers
Giant Wave-Drag Enhancement of Friction in Sliding Carbon Nanotubes
Paul Tangney, Marvin L. Cohen, Steven G. Louie
Molecular dynamics simulations of coaxial carbon nanotubes in relative sliding motion reveal a striking enhancement of friction when phonons whose group velocity is close to the sl…
On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter
Paul Tangney
The theory underlying the Car-Parrinello extended-lagrangian approach to {\em ab initio} molecular dynamics (CPMD) is reviewed and reexamined using 'heavy' ice as a test system. It…
Temperature Dependence of the Band Gap of Semiconducting Carbon Nanotubes
Rodrigo B. Capaz, Catalin D. Spataru, Paul Tangney +2
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-…
Hydrostatic Pressure Effects on the Structural and Electronic Properties of Carbon Nanotubes
Rodrigo B. Capaz, Catalin D. Spataru, Paul Tangney +2
We study the structural and electronic properties of isolated single-wall carbon nanotubes (SWNTs) under hydrostatic pressure using a combination of theoretical techniques: Continu…
A many-body interatomic potential for ionic systems: application to MgO
Paul Tangney, Sandro Scandolo
An analytic representation of the short-range repulsion energy in ionic systems is described that allows for the fact that ions may change their size and shape depending on their e…