In this work we use density functional theory based on the ultra-soft pseudo-potential to calculate thestructural, mechanical and thermal properties of narrow single walled BN, AlN and GaN nanotubes.The electron-electron interactions were expressed within the local density approximation (LDA). Wehave also obtained the Phonon dispersion and elastic constants of these nanotubes using the densityf...

The thermomechanical problem involving simple shearing of a finite slab made of an isotropic and viscoplastic material is studied with the objective of finding the e&t of the strain hardening parameter, strain-rate hardening parameters, thermal softening coeflicient and thermal conductivity on the initiation and growth of adiabatic shear bands. The body is placed in a hard loading device, i.e. ...

Solid He is studied in the pressure and temperature ranges 1-40 TPa and 0-10 000 K using first-principles methods. Anharmonic vibrational properties are calculated within a self-consistent field framework, including the internal and free energies, density-pressure relation, stress tensor, thermal expansion, and the electron-phonon coupling renormalization of the electronic band gap. We find tha...

wileyonlinelibrary.com detectivity of extrinsic photoconductive detectors depends on the ratio of optical carrier generation to thermal carrier generation. Traditionally, extrinsic silicon photodetectors have been limited by either high thermal impurity ionization or low optical carrier generation due to low absorption of sub-band gap radiation. Commonly used group III or V dopants (B, Al, Ga, ...

When adsorbed (at a low temperature) on alkali-metal-exchanged zeolites, CO forms both M(CO) and M(OC) carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bonded adducts are characterized by a C−O stretching IR band at a frequency higher than that of 2143 cm for free CO, while for O-bonded adducts this IR band ...

This paper considers the theory of electron field emission from nanoscale emitters with particular focus on thermal and electrical energy transport. The foundational theory of field emission is explored, and a model is presented that accounts explicitly for the energy band curvature produced by nanoscale tip emitters. The results indicate that the inclusion of band curvature strongly influences...