Angular distribution of field emitted electrons from vertically aligned carbon nanotube arrays

Angular field emission (FE) properties of vertically aligned carbon nanotube arrays have been measured on samples grown by plasma enhanced chemical vapor deposition and characterized by scanning electron microscope and I-V measurements. These properties determine the angular divergence of electron beams, a crucial parameter in order to obtain high brilliance FE based cathodes. From angular distributions of the electron beam transmitted through extraction grids of different mesh size and by using ray-tracing simulations, the maximum emission angle from carbon nanotube tips has been determined to be about ± 30 around the tube main axis. © 2012 American Institute of Physics.

Numerical study of the shielding properties of macroscopic hybrid ferromagnetic/superconductor hollow cylinders

We study the magnetic shielding properties of hybrid ferromagnetic/ superconductor (F/S) structures consisting of two coaxial cylinders, with one of each material. We use an axisymmetric finite-element model in which the electrical properties of the superconducting tube are modeled by a nonlinear E-J power law with a magnetic-field-dependent critical current density whereas the magnetic properties of the ferromagnetic material take saturation into account. We study and compare the penetration of a uniform axial magnetic field in two cases: 1) a ferromagnetic tube placed inside a larger superconducting tube (Ferro-In configuration) and 2) a ferromagnetic tube placed outside the superconducting one (Ferro-Out configuration). In both cases, we assess how the ferromagnetic tube improves the shielding properties of the sole superconducting tube. The influence of the geometrical parameters of the ferromagnetic tube is also studied: It is shown that, upon an optimal choice of the geometrical parameters, the range of magnetic fields that are efficiently shielded by the high-temperature superconductor tube alone can be increased by a factor of up to 7 (2) in a Ferro-Out (Ferro-In) configuration. The optimal configuration uses a 1020 carbon steel with a thickness of 2 mm and a height that is half that of the superconducting cylinder (80 mm). © 2009 IEEE.

Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution.

We present reaction free energy calculations using the adaptive buffered force mixing quantum mechanics/molecular mechanics (bf-QM/MM) method. The bf-QM/MM method combines nonadaptive electrostatic embedding QM/MM calculations with extended and reduced QM regions to calculate accurate forces on all atoms, which can be used in free energy calculation methods that require only the forces and not the energy. We calculate the free energy profiles of two reactions in aqueous solution: the nucleophilic substitution reaction of methyl chloride with a chloride anion and the deprotonation reaction of the tyrosine side chain. We validate the bf-QM/MM method against a full QM simulation, and show that it correctly reproduces both geometrical properties and free energy profiles of the QM model, while the electrostatic embedding QM/MM method using a static QM region comprising only the solute is unable to do so. The bf-QM/MM method is not explicitly dependent on the details of the QM and MM methods, so long as it is possible to compute QM forces in a small region and MM forces in the rest of the system, as in a conventional QM/MM calculation. It is simple, with only a few parameters needed to control the QM calculation sizes, and allows (but does not require) a varying and adapting QM region which is necessary for simulating solutions.

Measuring the composition of AlGaN layers in GaN based structures grown on 150 mm Si substrates using (2 0 5) reciprocal space maps

A critical element for the successful growth of GaN device layers on Si is accurate control of the AlGaN buffer layers used to manage strain. Here we present a method for measuring the composition of the AlGaN buffer layers in device structures which makes use of a one-dimensional x-ray detector to provide efficient measurement of a reciprocal space map which covers the full compositional range from AlN to GaN. Combining this with a suitable x-ray reflection with low strain sensitivity it is possible to accurately determine the Al fraction of the buffer layers independent of their relaxation state. © 2013 IOP Publishing Ltd.