The Amorphous-Crystal Interface in Silicon: a Tight-Binding Simulation

The structural features of the interface between the cystalline and amorphous phases of Si solid are studied in simulations based on a combination of empirical interatomic potentials and a nonorthogonal tight-binding model. The tight-binding Hamiltonian was created and tested for the types of structures and distortions anticipated to occur at this interface. The simulations indicate the presence of a number of interesting features near the interface. The features that may lead to crystallization upon heating include chains with some defects, most prominently dimers similar to those on the Si(001) 2x1 reconstructed free surface. Within the amorphous region order is lost over very short distances. By examining six different samples with two interfaces each, we find the energy of the amorphous-crystal interface to be 0.49 +/- 0.05 J/m^2Comment: Submitted to Phys. Rev.

Electroweak interactions in a relativistic Fermi gas

We present a relativistic model for computing the neutrino mean free path in neutron matter. Thereby, neutron matter is described as a non-interacting Fermi gas in beta-equilibrium. We present results for the neutrino mean free path for temperatures from 0 up to 50 MeV and a broad range of neutrino energies. We show that relativistic effects cause a considerable enhancement of neutrino-scattering cross-sections in neutron matter. The influence of the $Q^2$-dependence in the electroweak form factors and the inclusion of a weak magnetic term in the hadron current is discussed. The weak-magnetic term in the hadron current is at the origin of some selective spin dependence for the nucleons which are subject to neutrino interactions.Comment: 11 pages, 7 figures, accepted to Phys. Rev. C, minor changes and updates of the figures are mad

High resolution spectroscopy of single NV defects coupled with nearby 13^{13}C nuclear spins in diamond

We report a systematic study of the hyperfine interaction between the electron spin of a single nitrogen-vacancy (NV) defect in diamond and nearby $^{13}$C nuclear spins, by using pulsed electron spin resonance spectroscopy. We isolate a set of discrete values of the hyperfine coupling strength ranging from 14 MHz to 400 kHz and corresponding to $^{13}$C nuclear spins placed at different lattice sites of the diamond matrix. For each lattice site, the hyperfine interaction is further investigated through nuclear spin polarization measurements and by studying the magnetic field dependence of the hyperfine splitting. This work provides informations that are relevant for the development of nuclear-spin based quantum register in diamond.Comment: 8 pages, 5 figure

Transformation laws of the components of classical and quantum fields and Heisenberg relations

The paper recalls and point to the origin of the transformation laws of the components of classical and quantum fields. They are considered from the "standard" and fibre bundle point of view. The results are applied to the derivation of the Heisenberg relations in quite general setting, in particular, in the fibre bundle approach. All conclusions are illustrated in a case of transformations induced by the Poincar\'e group.Comment: 22 LaTeX pages. The packages AMS-LaTeX and amsfonts are required. For other papers on the same topic, view http://theo.inrne.bas.bg/~bozho/ . arXiv admin note: significant text overlap with arXiv:0809.017

Cloning and expression of a human kinesin heavy chain gene: interaction of the COOH-terminal domain with cytoplasmic microtubules in transfected CV-1 cells.

To understand the interactions between the microtubule-based motor protein kinesin and intracellular components, we have expressed the kinesin heavy chain and its different domains in CV-1 monkey kidney epithelial cells and examined their distributions by immunofluorescence microscopy. For this study, we cloned and sequenced cDNAs encoding a kinesin heavy chain from a human placental library. The human kinesin heavy chain exhibits a high level of sequence identity to the previously cloned invertebrate kinesin heavy chains; homologies between the COOH-terminal domain of human and invertebrate kinesins and the nonmotor domain of the Aspergillus kinesin-like protein bimC were also found. The gene encoding the human kinesin heavy chain also contains a small upstream open reading frame in a G-C rich 5' untranslated region, features that are associated with translational regulation in certain mRNAs. After transient expression in CV-1 cells, the kinesin heavy chain showed both a diffuse distribution and a filamentous staining pattern that coaligned with microtubules but not vimentin intermediate filaments. Altering the number and distribution of microtubules with taxol or nocodazole produced corresponding changes in the localization of the expressed kinesin heavy chain. The expressed NH2-terminal motor and the COOH-terminal tail domains, but not the alpha-helical coiled coil rod domain, also colocalized with microtubules. The finding that both the kinesin motor and tail domains can interact with cytoplasmic microtubules raises the possibility that kinesin could crossbridge and induce sliding between microtubules under certain circumstances

From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals

We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical interactions in a small region can affect the macroscopic properties of a material. We discuss how the coupling across different scales can be accomplished efficiently, and we apply the method to multiscale simulations of an edge dislocation in aluminum in the absence and presence of H impurities.Comment: 4 page

Tight-binding study of structure and vibrations of amorphous silicon

We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the Stillinger-Weber empirical potential that correlates with a much noted error in the radial distribution function associated with that potential. We also find that the intrinsic first peak of the radial distribution function is asymmetric, contrary to usual assumptions made in the analysis of diffraction data. We use our results for the normal mode frequencies and polarization vectors to obtain the zero-point broadening effect on the radial distribution function, enabling us to directly compare theory and a high resolution x-ray diffraction experiment