Phase transitions in BaTiO3_3 from first principles

We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach is applied to BaTiO$_3$, and the resulting Hamiltonian is studied using Monte Carlo simulations. The calculated phase sequence, transition temperatures, latent heats, and spontaneous polarizations are all in good agreement with experiment. The order-disorder vs.\ displacive character of the transitions and the roles played by different interactions are discussed.Comment: 13 page

Human-Machine Interface for Tele-Robotic Operation: Mapping of Tongue Movements Based on Aural Flow Monitoring

2004 IEEE International Conference on Intelligent Robots and Systems (IROS), October, 2004 (Awarded “Best Paper in Conference”

Biological diversity in an Islamic archaeological population: A radiogenic strontium isotope and craniometric analysis of affinity in Ottoman Romania

Objectives: Written accounts, as well as a previous craniometric study, indicate that migrations of non-Europeans and conversions of Europeans to Islam define Ottoman communities in Early Modern Europe. What is less clear are the roles of migration and admixture in generating intra-communal variation. This study combines craniometric with strontium isotope data to compare the cranial affinities of locally born and immigrant individuals. We predict that locally born individuals are more likely than non-locals to show evidence of admixture. Materials and Methods: Radiogenic strontium isotope data for 21 Ottomans were compared against archaeological faunal values. Sixteen individuals with intact crania were also measured and compared against two comparative source populations from Anatolia and Europe. Discriminant function analysis assigned unclassified Ottoans to either comparative group based on typicality probabilities, with potential admixture established via intermediate morphology between the two source populations. Results: Strontium isotope values revealed relatively high proportions of non-locals, consistent with high mobility documented historically. The sexes differed, with more males classifying as “typically Anatolian” than females. Locals and non-locals also had different cranial affinity patterns, with most classifying either as “typically Anatolian” or “typically European.” Contrary to expectation, none of the locals were identified as intermediate, suggesting admixture rates were relatively low. Conclusions: Consistent with historical records, the results revealed high levels of extra-regional migration, with most individuals identifiable as either typically Anatolian or European. Moreover, locals and non-locals differed craniometrically, with no signs of admixture between Anatolian migrants and European converts in locals. This suggests intra-communal divisions were maintained

Ultrafast quasiparticle relaxation dynamics in normal metals and heavy fermion materials

We present a detailed theoretical study of the ultrafast quasiparticle relaxation dynamics observed in normal metals and heavy fermion materials with femtosecond time-resolved optical pump-probe spectroscopy. For normal metals, a nonthermal electron distribution gives rise to a temperature (T) independent electron-phonon relaxation time at low temperatures, in contrast to the T^{-3}-divergent behavior predicted by the two-temperature model. For heavy fermion compounds, we find that the blocking of electron-phonon scattering for heavy electrons within the density-of-states peak near the Fermi energy is crucial to explain the rapid increase of the electron-phonon relaxation time below the Kondo temperature. We propose the hypothesis that the slower Fermi velocity compared to the sound velocity provides a natural blocking mechanism due to energy and momentum conservation laws.Comment: 10 pages, 11 figure

Electronic structure investigation of CeB6 by means of soft X-ray scattering

The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the delocalized valence-band states is studied by identifying the different spectral contributions from inelastic Raman scattering and normal fluorescence. Pronounced energy-loss structures are observed below the elastic peak at both the 3d and 4d thresholds. The origin and character of the inelastic scattering structures are discussed in terms of charge-transfer excitations in connection to the dipole allowed transitions with 4f character. Calculations within the single impurity Anderson model with full multiplet effects are found to yield consistent spectral functions to the experimental data.Comment: 9 pages, 4 figures, 1 table, http://link.aps.org/doi/10.1103/PhysRevB.63.07510

Pressure-dependence of electron-phonon coupling and the superconducting phase in hcp Fe - a linear response study

A recent experiment by Shimizu et al. has provided evidence of a superconducting phase in hcp Fe under pressure. To study the pressure-dependence of this superconducting phase we have calculated the phonon frequencies and the electron-phonon coupling in hcp Fe as a function of the lattice parameter, using the linear response (LR) scheme and the full potential linear muffin-tin orbital (FP-LMTO) method. Calculated phonon spectra and the Eliashberg functions $\alpha^2 F$ indicate that conventional s-wave electron-phonon coupling can definitely account for the appearance of the superconducting phase in hcp Fe. However, the observed change in the transition temperature with increasing pressure is far too rapid compared with the calculated results. For comparison with the linear response results, we have computed the electron-phonon coupling also by using the rigid muffin-tin (RMT) approximation. From both the LR and the RMT results it appears that electron-phonon interaction alone cannot explain the small range of volume over which superconductivity is observed. It is shown that ferromagnetic/antiferromagnetic spin fluctuations as well as scattering from magnetic impurities (spin-ordered clusters) can account for the observed values of the transition temperatures but cannot substantially improve the agreeemnt between the calculated and observed presure/volume range of the superconducting phase. A simplified treatment of p-wave pairing leads to extremely small ($\leq 10^{-2}$ K) transition temperatures. Thus our calculations seem to rule out both $s$- and $p$- wave superconductivity in hcp Fe.Comment: 12 pages, submitted to PR

Back reaction in the formation of a straight cosmic string

A simple model for the formation of a straight cosmic string, wiggly or unperturbed is considered. The gravitational field of such string is computed in the linear approximation. The vacuum expectation value of the stress tensor of a massless scalar quantum field coupled to the string gravitational field is computed to the one loop order. Finally, the back-reaction effect on the gravitational field of the string is obtained by solving perturbatively the semiclassical Einstein's equations.Comment: 29 pages, LaTeX, no figures. A postcript version can be obtained from anonymous ftp at ftp://ftp.ifae.es/preprint.f

Transitions in the Horizontal Transport of Vertically Vibrated Granular Layers

Motivated by recent advances in the investigation of fluctuation-driven ratchets and flows in excited granular media, we have carried out experimental and simulational studies to explore the horizontal transport of granular particles in a vertically vibrated system whose base has a sawtooth-shaped profile. The resulting material flow exhibits novel collective behavior, both as a function of the number of layers of particles and the driving frequency; in particular, under certain conditions, increasing the layer thickness leads to a reversal of the current, while the onset of transport as a function of frequency occurs gradually in a manner reminiscent of a phase transition. Our experimental findings are interpreted here with the help of extensive, event driven Molecular Dynamics simulations. In addition to reproducing the experimental results, the simulations revealed that the current may be reversed as a function of the driving frequency as well. We also give details about the simulations so that similar numerical studies can be carried out in a more straightforward manner in the future.Comment: 12 pages, 18 figure

On the Choice of Shear Correction Factor in Sandwich Structures

The first-order shear deformation theory (FSDT) is a relatively simple tool that has been found to yield accurate results in the non-local problems of sandwich structures, such as buckling and free vibration. However, a key factor in practical application of the theory is determination of the transverse shear correction factor (K), which appears as a coefficient in the expression for the transverse shear stress resultant. The physical basis for this factor is that it is supposed to compensate for the FSDT assumption that the shear strain is uniform through the depth of the cross section. In the present paper, the philosophies and results of K determination for homogeneous rectangular cross sections are first reviewed, followed by a review and discussion for the case of sandwich structures. The analysis presented in the paper results in the conclusion that K should be taken equal to unity, as a first approximation, for both two-skin as well as for multi-skin sandwich structures.Yeshttps://us.sagepub.com/en-us/nam/manuscript-submission-guideline