Domain walls in ferroelectrics

Spontaneous unit-cell deformation accompanies spontaneous polarization in perovskite ferroelectrics, thereby making it energetically favorable for domain walls to form on particular planes that satisfy mechanical compatibility. Historically, domain walls are found analytically, solving for walls with compatible strains within the wall plane. However, analytical solutions do not give any information about relative energetics of nonideal domain walls. Here, the orientation of the most favorable domain walls and the relative energetics of nonideal domain walls are predicted by calculating strain mismatch and charge discontinuity over all possible domain wall orientations. This is done for common ferroelectric phase symmetries of tetragonal, rhombohedral, orthorhombic, and monoclinic type. In tetragonal and rhombohedral symmetry, the domain walls are independent of any external stimulus as long as the symmetry is maintained. In orthorhombic and monoclinic symmetry, the orientation of certain mechanically permissible domain walls changes with temperature and/or electric field as the unit cell distorts, while others do not. Additionally, in monoclinic systems, domain wall planes are shown to exist that are not perfectly permissible but are very close to permissible, thus, these walls were not found by prior analytical methods. The visualization of strain compatibility of all the domain walls makes it easy to see precisely on which planes domain walls are expected or not expected and how the domain walls change their orientation under the effect of external stimulus. Such an analysis can also be used to investigate the relative and changing energetics of nonideal domain walls in systems under thermal, compositional, electrical, and mechanical stimuli.     

A robust software watermarking framework using shellcode

Multimedia Tools and Applications - Watermarks have long been applied to ensure the authenticity of media contents. Computer software is an intellectual outcome in the digital domain. Therefore, it...     

Thermal regimes of Li‐ion conductivity in β‐eucryptite

While it is well‐established that ionic conduction in lithium aluminosilicates proceeds via hopping of Li ions, the nature of the various hoping‐based mechanisms in different temperature regimes has not been fully elucidated. The difficulties associated with investigating the conduction have to do with the presence of grains and grain boundaries of different orientations in these usually polycrystalline materials. Herein, we use electrochemical impedance spectroscopy (EIS) to investigate the ion conduction mechanisms in β‐eucryptite, which is a prototypical lithium aluminosilicate. In the absence of significant structural transitions in grain boundaries, we find that there are three conduction regimes for the one‐dimensional ionic motion along the c axis channels in the grains, and determine the activation energies for each of these temperature regimes. Activation energies computed from molecular statics calculations of the potential energy landscape encountered by Li ions suggest that at temperatures below 440°C conduction proceeds via cooperative or correlated motion, in agreement with established literature. Between 440°C and 500°C, the activation barriers extracted from EIS measurements are large and consistent with those from atomistic calculations for uncorrelated Li ion hopping. Above 500°C the activation barriers decrease significantly, which indicates that after the transition to the Li‐disordered phase of β‐eucryptite, the Li ion motion largely regains the correlated character.     

Improved quality a-SiC:H films prepared by photo chemical vapour decomposition of silane and acetylene

Hydrogenated amorphous and microcrystalline silicon carbon alloy films have been grown by photo-CVD using C₂H₂ as a source gas of carbon. The hydrogenated amorphous silicon carbon (a-SiC:H) film with a band gap of ~2.0 eV prepared at a very low hydrogen (LD) concentration exhibits better photo-electronic properties compared to that at high hydrogen dilution (HD) having a similar optical gap. Notwithstanding a high deposition rate, the high photosensitivity ( 10⁶), the low density of the defect states ( 6 × 10¹⁶cm⁻³) and the Urbach energy parameter (72 meV) for the a-SiC:H film prepared at low hydrogen dilution and pressure are impressive. On the other hand, low pressure along with high hydrogen dilution have been found to be conducive to microcrystalline silicon carbon alloy (μc-Si:H) formation. Interestingly, crystallites are of silicon while carbon remains in the amorphous and grain boundary regions.     

Keggin-type lacunary and transition metal substituted polyoxometalates as heterogeneous catalysts: A recent progress

In this article we discussed synthesis and catalytic applications of heterogeneous catalysts based on lacunary polyoxometalates (LPOMs) and transition metal substituted polyoxometalates (TMSPOMs), however exclusively the focus has been given to the mono LPOMs and mono-TMSPOMs. As the field of supported LPOMs/TMSPOMs is upcoming important field, some aspects about choice of support as well as methods of supporting have also been described. We also include a few of our new research results in order to understand the effect of support and active species as well as choice of organic transformation.     

Microwave-assisted green synthesis of hybrid nanocomposite: removal of Malachite green from waste water

Gum xanthan/psyllium-based nanocomposite was prepared by microwave-assisted synthetic method for the removal of toxic Malachite green (MG) dye from aqueous solutions. The nanocomposite was prepared by in situ incorporation of the K₂Zn₃[Fe(CN)₆]·9H₂O nanoparticles into the semi-IPN matrix in the presence of ammonium persulphate and glutaraldehyde as initiator-crosslinker system. Liquid uptake efficacy of the hybrid superabsorbent was enhanced through the optimization of different reaction conditions, including APS = 0.027 mol L^?1; glutaraldehyde = 0.053 × 10^?3 mol L^?1; solvent = 8.0 mL; acrylic acid = 10.928 mol L^?1; pH 7.0; reaction time = 60 s and microwave power = 100 % and its thermal behavior was evaluated using TGA-DTG-DTA technique. Candidate nanocomposite was characterized by FTIR, SEM, XRD and UV–visible spectroscopic methods. Various optimized parameters for the efficient removal (83 %) of the Malachite green were adsorbent dose of 800 mg, 14 mg L^?1 initial dye concentration and contact time of 28 h. Further, Langmuir and Freundlich adsorption isotherms showed good applicability in adsorption process of MG onto the nanocomposite with maximum adsorption efficiency of 3.21 mg g^?1. However, for Freundlich isotherm, R ² was around 0.9947 and value of 1/n was less than 1 for the synthesized nanocomposite which indicated that the Freundlich isotherm was more favorable than Langmuir isotherm model along with its usability for wide range of dye concentrations. The nanocomposite was found to be a potential product for dye removal from waste water and could prove to be a boon for textile sector.     

Evaluating power saving techniques in passive optical access networks

This work proposes a resilient wheel-based wavelength-division-multiplexed passive optical network optical access network architecture for backhauling network traffic. This proposed resilient architecture can efficiently support not only the fixed users but also the mobile users in the downstream direction under normal and failure operating scenarios, while minimizing the average traffic delivery time and without using extra redundant fibers for protection purposes.

     

Mode-I Fracture Toughness Analysis of n-HAPs Filled Dental Restorative Composites

Silicon - Fracture toughness of dental restoratives is of greater relevance, especially in stress relevance applications, i.e., resistance to crack propagation. This work aims to determine the mode...     

An Investigation of Experimental Dental Restorative Composites Filled with Nano-Hydroxyapatite Treated with Different Silanes

Silicon - In the complex oral atmosphere, these materials undergo drastic variations in the elastic modulus and yield strength over the operation transition range. This research work aims to...