Investigation of Raman Modes and Born‐Effective Charges in AgNb1/2Ta1/2O3: A Density‐Functional and Raman Scattering Study

Using ab initio density‐functional theory, the Born‐effective charge tensors and zone‐center phonon mode frequencies are computed for AgNb_1/2Ta_1/2O₃ in monoclinic P2/m and orthorombic Pbcm symmetries. The experimental mode frequencies are obtained from deconvolution of Raman spectrum of prepared AgNb_1/2Ta_1/2O₃ samples and are compared with computed mode frequencies. The Raman modes with high (>350 cm^?1) and low frequencies (<90 cm^?1) correspond to Ag and O vibrations, respectively. The modes in intermediate frequency band (120–350 cm^?1) are dominated by Nb(Ta)–O vibrations. The computed effective charge tensors of cations at A (Ag) and B (Nb, Ta) sites are found to be diagonal. The off‐diagonal components of charge tensor are found sizeable only for O ions in orthorhombic AgNb_1/2Ta_1/2O₃ with Pbcm symmetry. Further, charge tensor structure of O ions is found to depend on site symmetry in the unit cell. Charge tensor components for Nb, Ta, and O ions differ significantly from their nominal ionic values suggesting (1) large local dipole moments induced by off‐centering of Nb(Ta) ions and tilting(rotations) of Nb(Ta)O₆ octahedra, (2) hybridization between d‐orbitals of Nb(Ta) and p‐orbitals of O atoms. Furthermore, the electronic structure, directional dependence of effective charges and performance of LDA (GGA) exchange‐correlation functionals with regard to computed values are also discussed.     

Fabrication and characterization of exfoliated chitosan–gelatin–montmorillonite nanocomposite nanofibers

Polymeric nanofibers as one of the most known nanotechnology products have huge potential applications in many fields due to their high aspect ratio and porosity, being capable of formation of three-dimensional structures and having great mechanical and biological properties. Chitosan is a natural abundant polymer which has attracted huge interests in biomedical and biological industries due to its biocompatible, biodegradable, and non-toxicity properties. However, electrospinning of chitosan is found to be a great challenge, blending it with other polymers such as gelatin was explored as means to improve the morphological deficiencies of chitosan nanofibers and facilitate its electrospinnability. On the other hand, montmorillonite (MMT) has been attracted great attention due to its remarkable improvement in properties of polymeric composites nanofibers. The main objective of this work was on effect of concretion of gelatin–chitosan blends and MMT on morphology of resulted nanocomposite nanofibers. The x-ray diffraction data demonstrated the exfoliation of MMT layers. The morphology of electrospun chiosan–gelatin–MMT composite nanofibers was characterized using scanning electron microscope (SEM). The miscibility of blend was determined using SEM and Fourier transform infrared spectrometer/attenuated total reflectance.     

Fixed-Parameter Tractability of Satisfying Beyond the Number of Variables

We consider a CNF formula F as a multiset of clauses: F={c ₁,…,c _m }. The set of variables of F will be denoted by V(F). Let B _F denote the bipartite graph with partite sets V(F) and F and with an edge between v∈V(F) and c∈F if v∈c or $\bar{v} \in c$ . The matching number ν(F) of F is the size of a maximum matching in B _F . In our main result, we prove that the following parameterization of MaxSat (denoted by (ν(F)+k)-SAT) is fixed-parameter tractable: Given a formula F, decide whether we can satisfy at least ν(F)+k clauses in F, where k is the parameter. A formula F is called variable-matched if ν(F)=|V(F)|. Let δ(F)=|F|?|V(F)| and δ ^?(F)=max _F′?F δ(F′). Our main result implies fixed-parameter tractability of MaxSat parameterized by δ(F) for variable-matched formulas F; this complements related results of Kullmann (IEEE Conference on Computational Complexity, pp. 116–124, 2000) and Szeider (J. Comput. Syst. Sci. 69(4):656–674, 2004) for MaxSat parameterized by δ ^?(F). To obtain our main result, we reduce (ν(F)+k)-SAT into the following parameterization of the Hitting Set problem (denoted by (m?k)-Hitting Set): given a collection $\mathcal{C}$ of m subsets of a ground set U of n elements, decide whether there is X?U such that C∩X≠? for each $C\in \mathcal{C}$ and |X|≤m?k, where k is the parameter. Gutin, Jones and Yeo (Theor. Comput. Sci. 412(41):5744–5751, 2011) proved that (m?k)-Hitting Set is fixed-parameter tractable by obtaining an exponential kernel for the problem. We obtain two algorithms for (m?k)-Hitting Set: a deterministic algorithm of runtime $O((2e)^{2k+O(\log^{2} k)} (m+n)^{O(1)})$ and a randomized algorithm of expected runtime $O(8^{k+O(\sqrt{k})} (m+n)^{O(1)})$ . Our deterministic algorithm improves an algorithm that follows from the kernelization result of Gutin, Jones and Yeo (Theor. Comput. Sci. 412(41):5744–5751, 2011).     

Investigation of structural, magnetic and optical properties of rare earth substituted bismuth ferrite

Polycrystalline BiFeO3 and rare earth substituted Bi0.9R0.1FeO3(BRFO,R=Y,Ho and Er) compounds were prepared by rapid solid state sintering technique.Structural phase analysis indicated that all the compounds stabilized in rhombohedral structure(R3c space group) and a small orthorhombic phase fraction was observed in BRFO compounds.From the Raman spectra results,the changes in the phonon frequencies(A 1) and line widths suggested lattice distortion in the BRFO compounds as was evidenced in the XRD analysis.Compared to the linear variation of magnetization with magnetic field(M-H) shown by BFO,an obvious M-H loop was observed in BRFO compounds which could be due to the suppression of space modulated spin structure and was explained on the basis of weak ferromagnetism and field induced spin reorientation.UV-Vis spectroscopy evidenced a change in local FeO6 environment due to shift in the 6A1g → 4T2g energy transition band.BRFO compounds with improved remnant magnetization and coercive field are applicable for magnetoelectric devices.     

Efficient Exact Algorithms through Enumerating Maximal Independent Sets and Other Techniques

We give substantially improved exact exponential-time algorithms for a number of NP-hard problems. These algorithms are obtained using a variety of techniques. These techniques include: obtaining exact algorithms by enumerating maximal independent sets in a graph, obtaining exact algorithms from parameterized algorithms and a variant of the usual branch-and-bound technique which we call the "colored" branch-and-bound technique. These techniques are simple in that they avoid detailed case analyses and yield algorithms that can be easily implemented. We show the power of these techniques by applying them to several NP-hard problems and obtaining new improved upper bounds on the running time. The specific problems that we tackle are: (1) the Odd Cycle Transversal problem in general undirected graphs, (2) the Feedback Vertex Set problem in directed graphs of maximum degree 4, (3) Feedback Arc Set problem in tournaments, (4) the 4-Hitting Set problem and (5) the Minimum Maximal Matching and the Edge Dominating Set problems. The algorithms that we present for these problems are the best known and are a substantial improvement over previous best results. For example, for the Minimum Maximal Matching we give an O^*(1.4425ⁿ) algorithm improving the previous best result of O^*(1.4422^m) [35]. For the Odd Cycle Transversal problem, we give an O^*(1.62ⁿ) algorithm which improves the previous time bound of O^*(1.7724ⁿ) [3].     

An experimental investigation of exergetic performance and emission characteristics of hydrogen supplemented biogas-diesel dual fuel engine

An experimental investigation of a conventional diesel engine with diesel, biogas and hydrogen as fuels has been carried out, while the engine is modified to operate in dual fuel mode using diesel as the pilot fuel and biogas as the main fuel respectively. In order to improve the biogas-diesel dual fuel engine performance and emission characteristics, small percentages of hydrogen supplementations, viz. 5%, 10%, 15% and 20%, in biogas were studied and the comparison was also made to that with the neat biogas-diesel dual fuel operation. Engine performance characterization has been done with exergy based approach, and major sources of irreversibilities in various engine processes are also investigated and compared for the above mentioned cases. The results show that hydrogen supplementations in biogas have lesser effect on the combustion characteristics at low load, while, at high load, the combustion patterns change significantly with higher heat release rates and peak combustion pressures. Furthermore, performance and emission characteristics are found nearly unaffected with 5% of hydrogen addition both at low and high loads. Nevertheless, further addition of hydrogen in biogas causes improvements in performance and emission characteristics of the dual fuel engine.     

Wave energy potential along the northern coasts of the Gulf of Oman, Iran

This study aims to investigate wave power along the northern coasts of the Gulf of Oman. To simulate wave parameters the third generation spectral SWAN model was utilized, and the results were validated with buoy and ADCP data. First, annual energy was calculated in the study region with the hindcast data set covering 23 years (1985-2007). The areas with the highest wave resource were determined and the area proximity to the port of Chabahar is suggested as the best site for the installation of a wave farm. Second, the average monthly wave energy in this area was investigated. The most energetic waves are provided by the southeast Indian Ocean monsoon from June to August. Finally, the wave energy resource was characterized in terms of sea state parameters. It was found that the bulk of annual wave energy occurs for significant wave heights between 1 and 3 m and energy periods between 4 and 8 s in the direction of SSE.     

Closed Form Expressions for Average Capacity and Symbol Error Rates Under Different Diversity Techniques Over EGK Fading Under Interference

To achieve a tradeoff between spectral efficiency (SE) and energy efficiency (EE) experiences, we design an offloading mechanism to maximize the sum of weighted logarithmic utilities with respect to SE and EE for heterogeneous cellular networks, where the weighting parameters are used for adjusting the SE–EE experiences. Unlike the most existing offloading mechanisms that often try to find a tradeoff between SE and EC (energy consumption), we concentrate on a tradeoff between SE–EE experiences in our mechanism. That is to say, our mechanism directly optimizes EE and is weighted in favour of SE–EE fairness. To solve the finally formulated problem in a mixed-integer and nonlinear form, we firstly make some relaxation for the optimization objective to obtain its an upper bound. Then, we perform a decoupling operation to achieve a decomposable form of dual problem. Finally, we develop a feasible algorithm that can be well implemented in a distributed manner. Numerical results show that the designed mechanism can definitely reach a tradeoff between SE–EE experiences.