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We report on a first-principles investigation of the electronic structure and of the magnetic properties of the quasi-two-dimensional Mott insulator SrCu2(BO3)(2). Based on the hopping integrals and Coulomb interactions calculated with local-density approx ...
We report on the characterization, active tuning and modeling of the first mode resonance frequency of dielectric electroactive polymer (DEAP) membranes. Unlike other resonance frequency tuning techniques, the tuning procedure presented here requires no ex ...
Institute of Electrical and Electronics Engineers2008
We present a generalization of the Dvali-Gabadadze-Porrati scenario to higher codimensions which, unlike previous attempts, is free of ghost instabilities. The 4D propagator is made regular by embedding our visible 3-brane within a 4-brane, each with their ...
The early stages of the Coulomb explosion of a doubly ionized water molecule immersed in liquid water are investigated with time-dependent density functional theory molecular dynamics (TD-DFT MD) simulations. Our aim is to verify that the double ionization ...
Weakly charged solid substrates can be nano-patterned in liquid-like order with large and well-defined spacing by adsorbing poly(amido amine) (PAMAM) dendrimers; highly charged substrates lead to lower spacing due to electrostatic three-body attractions be ...
New fluorinated host compounds, namely, 2,4,6-tris(4-bromo-3-fluorophenoxy) -1,3,5-triazine, 2,4,6-tris(4-bromo-3,5-difluorophenoxy)-1,3,5-triazine, and 2,4,6-tris(4-bromo-2,6-difluorophenoxy)-1,3,5-triazine, were synthesized to investigate the effect of f ...
The radial electric field in known to be one of the drivers of parallel ion flow in the SOL. It contributes to the ion Pfirsch-Schluter flow and also determines the 'return parallel flow' that can arise to compensate poloidal E x B drift. It was establishe ...
The directed assembly of nanoparticles and nanoscale materials onto specific locations of a surface is one of the major challenges in nanotechnology. Here we present a simple and scalable method and model for the assembly of nanoparticles in between electr ...
The surface site distribution and the dielec. discontinuity effects on the charging process of a spherical nanoparticle (NP) have been investigated. It is well known that electrostatic repulsion between charges on neighboring sites tends to decrease the ef ...
We present a new method to incorporate electrostatic interactions in coarse-grained representations of proteins. The model is based on a topologically reconstructed multipolar expansion of the all-atom centers of charge, specifically of the backbone dipole ...