X-ray Absorption Linear Dichroism at the Ti K-edge of TiO2 anatase single crystal

Anatase TiO2 (a-TiO2) exhibits a strong X-ray absorption linear dichroism with the X-ray incidence angle in the pre-edge, the XANES and the EXAFS at the titanium K-edge. In the pre-edge region the behaviour of the A1-A3 and B peaks, originating from the 1s-3d transitions, is due to the strong $p$-orbital polarization and strong $p-d$ orbital mixing. An unambiguous assignment of the pre-edge peak transitions is made in the monoelectronic approximation with the support of ab initio finite difference method calculations and spherical tensor analysis in quantitative agreement with the experiment. It is found that A1 is mostly an on-site 3d-4p hybridized transition, while peaks A3 and B are non-local transitions, with A3 being mostly dipolar and influence by the 3d-4p intersite hybridization, while B is due to interactions at longer range. Finally, peak A2 which was previously assigned to a transition involving pentacoordinated titanium atoms exhibits a quadrupolar angular evolution with incidence angle. These results pave the way to the use of the pre-edge peaks at the K-edge of a-TiO2 to characterize the electronic structure of related materials and in the field of ultrafast XAS where the linear dichroism can be used to compare the photophysics along different axes.Comment: 43 pages, 19 figure

Plasmon Evolution and Charge-Density Wave Suppression in Potassium Intercalated Tantalum Diselenide

We have investigated the influence of potassium intercalation on the formation of the charge-density wave (CDW) instability in 2H-tantalum diselenide by means of Electron Energy-Loss Spectroscopy and density functional theory. Our observations are consistent with a filling of the conduction band as indicated by a substantial decrease of the plasma frequency in experiment and theory. In addition, elastic scattering clearly points to a destruction of the CDW upon intercalation as can be seen by a vanishing of the corresponding superstructures. This is accompanied by a new superstructure, which can be attributed to the intercalated potassium. Based on the behavior of the c-axis upon intercalation we argue in favor of interlayer-sites for the alkali-metal and that the lattice remains in the 2H-modification

Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction

Ultrafast electron diffraction is a powerful technique that can resolve molecular structures with femtosecond and angstrom resolutions. We demonstrate theoretically how it can be used to monitor conical intersection dynamics in molecules. Specific contributions to the signal are identified which vanish in the absence of vibronic coherence and offer a direct window into conical intersection paths. A special focus is on hybrid scattering from nuclei and electrons, a process that is unique to electron (rather than X-ray) diffraction and monitors the strongly coupled nuclear and electronic motions in the vicinity of conical intersections. An application is made to the cis to trans isomerization of azobenzene, computed with exact quantum dynamics wavepacket propagation in a reactive two-dimensional nuclear space

Development of titanium dioxide nanowire incorporated poly(vinylidene fluoride–trifluoroethylene) scaffolds for bone tissue engineering applications

Critical size bone defects that do not heal spontaneously are among the major reasons for the disability in majority of people with locomotor disabilities. Tissue engineering has become a promising approach for repairing such large tissue injuries including critical size bone defects. Three-dimension (3D) porous scaffolds based on piezoelectric polymers like poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) have received a lot of attention in bone tissue engineering due to their favorable osteogenic properties. Owing to the favourable redox properties, titanium dioxide (TiO2) nanostructures have gained a great deal of attention in bone tissue engineering. In this paper, tissue engineering scaffolds based on P(VDF-TrFE) loaded with TiO2 nanowires (TNW) were developed and evaluated for bone tissue engineering. Wet-chemical method was used for the synthesis of TNW. Obtained TNW were thoroughly characterized for the physicochemical and morphological properties using techniques such as X-Ray diffraction (XRD) analysis and transmission electron microscopy (TEM). Electrospinning was used to produce TNW incorporated P(VDF-TrFE) scaffolds. Developed scaffolds were characterized by state of art techniques such as Scanning Electron Microscopy (SEM), XRD and Differential scanning calorimetry (DSC) analyses. TEM analysis revealed that the obtained TiO2 nanostructures possess nanofibrous morphology with an average diameter of 26 ± 4 nm. Results of characterization of nanocomposite scaffolds confirmed the effective loading of TNW in P(VDF-TrFE) matrix. Fabricated P(VDF-TrFE)/TNW scaffolds possessed good mechanical strength and cytocompatibility. Osteoblast like cells showed higher adhesion and proliferation on the nanocomposite scaffolds. This investigation revealed that the developed P(VDF-TrFE) scaffolds containing TNW can be used as potential scaffolds for bone tissue engineering applications.This work was supported by the French PIA project « Lorraine university d’excellence » reference ANR-15-IDEX-04-LUE. This article was also made possible by the NPRP9-144-3-021 grant funded by Qatar National Research Fund (a part of Qatar Foundation). The statements made here are the sole responsibility of the authors. Open Access funding was provided by the Qatar National Library

Evidence for coupling between collective state and phonons in two-dimensional charge-density-wave systems

We report on a Raman scattering investigation of the charge-density-wave (CDW), quasi two-dimensional rare-earth tri-tellurides $R$Te$_3$ ($R$= La, Ce, Pr, Nd, Sm, Gd and Dy) at ambient pressure, and of LaTe$_3$ and CeTe$_3$ under externally applied pressure. The observed phonon peaks can be ascribed to the Raman active modes for both the undistorted as well as the distorted lattice in the CDW state by means of a first principles calculation. The latter also predicts the Kohn anomaly in the phonon dispersion, driving the CDW transition. The integrated intensity of the two most prominent modes scales as a characteristic power of the CDW-gap amplitude upon compressing the lattice, which provides clear evidence for the tight coupling between the CDW condensate and the vibrational modes

Time-sensitive autonomous architectures

Autonomous and software-defined vehicles (ASDVs) feature highly complex systems, coupling safety-critical and non-critical components such as infotainment. These systems require the highest connectivity, both inside the vehicle and with the outside world. An effective solution for network communication lies in Time-Sensitive Networking (TSN) which enables high-bandwidth and low-latency communications in a mixed-criticality environment. In this work, we present Time-Sensitive Autonomous Architectures (TSAA) to enable TSN in ASDVs. The software architecture is based on a hypervisor providing strong isolation and virtual access to TSN for virtual machines (VMs). TSAA latest iteration includes an autonomous car controlled by two Xilinx accelerators and a multiport TSN switch. We discuss the engineering challenges and the performance evaluation of the project demonstrator. In addition, we propose a Proof-of-Concept design of virtualized TSN to enable multiple VMs executing on a single board taking advantage of the inherent guarantees offered by TSN

Charge-Density-Wave like Behavior in the One-Dimensional Charge-Ordered Semiconductor (NbSe4)3I

We report on broadband dielectric spectroscopy on the one-dimensional semiconductor (NbSe4)3I. Below the structural phase transition close to 270 K we observe colossal dielectric constants with a frequency and temperature dependence very similar to what is observed in canonical charge-density wave systems. Guided by structural details we interpret this structural phase transition as driven by complex charge-order processes.Comment: 4 pages, 3 figure

Synthesis of Single Phase Hg-1223 High Tc Superconducting Films With Multistep Electrolytic Process

We report the multistep electrolytic process for the synthesis of high Tc single phase HgBa2Ca2Cu3O8+ (Hg-1223) superconducting films. The process includes : i) deposition of BaCaCu precursor alloy, ii) oxidation of BaCaCu films, iii) electrolytic intercalation of Hg in precursor BaCaCuO films and iv) electrochemical oxidation and annealing of Hg-intercalated BaCaCuO films to convert into Hg1Ba2Ca2Cu3O8+ (Hg-1223). Films were characterized by thermo-gravimetric analysis (TGA) and differential thermal analysis (DTA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The electrolytic intercalation of Hg in BaCaCuO precursor is proved to be a novel alternative to high temperature-high pressure mercuration process. The films are single phase Hg-1223 with Tc = 121.5 K and Jc = 4.3 x 104 A/cm2.Comment: 17 Pages, 10 Figures. Submitted to Superconductor Science and Technolog

Chiral Four-Wave-Mixing signals with circularly-polarized X-ray pulses

Chiral four-wave-mixing signals are calculated using the irreducible tensor formalism. Different polarization and crossing angle configurations allow to single out the magnetic dipole and the electric quadrupole interactions. Other configurations can reveal that the chiral interaction occurs at a given step within the nonlinear interaction pathways contributing to the signal. Applications are made to the study of valence excitations of S-ibuprofen by chiral Stimulated X-ray Raman signals at the Carbon K-edge and by chiral visible 2D Electronic Spectroscopy.teraction pathways contributing to the signal.Comment: 33 pages, 10 figure