Study Of Lattice Dynamics In Yttrium Doped NdMnO3 Using Raman Spectroscopy

A systematic study of Raman spectra on Yttrium doped NdMnO3 polycrystalline samples was undertaken to understand the lattice dynamics in this compound. Raman active phonons were analyzed and the observed peak were assigned to elucidate various phonon modes in the range (200 - 800) cm(-1). It was observed that at 325 cm(-1) phonon frequency shifts upward as much as upto 4 % with increase in Yttrium content. Lattice distortions manifest themselves by frequency shifts in both bending and tilt modes of MnO6 octahedra, resulting in increase of Raman band line-widths.

Cooling a Band Insulator with a Metal: Fermionic Superfluid in a Dimerized Holographic Lattice

A cold atomic realization of a quantum correlated state of many fermions on a lattice, eg. superfluid, has eluded experimental realization due to the entropy problem. Here we propose a route to realize such a state using holographic lattice and confining potentials. The potentials are designed to produces aband insulating state (low heat capacity) at the trap center, and a metallic state (high heat capacity) at the periphery. The metal ``cools'' the central band insulator by extracting out the excess entropy. The central band insulator can be turned into a superfluid by tuning an attractive interaction between the fermions. Crucially, the holographic lattice allows the emergent superfluid to have a high transition temperature - even twice that of the effective trap temperature. The scheme provides a promising route to a laboratory realization of a fermionic lattice superfluid, even while being adaptable to simulate other many body states.

A constant factor approximation algorithm for boxicity of circular arc graphs

The boxicity (resp. cubicity) of a graph G(V, E) is the minimum integer k such that G can be represented as the intersection graph of axis parallel boxes (resp. cubes) in R-k. Equivalently, it is the minimum number of interval graphs (resp. unit interval graphs) on the vertex set V, such that the intersection of their edge sets is E. The problem of computing boxicity (resp. cubicity) is known to be inapproximable, even for restricted graph classes like bipartite, co-bipartite and split graphs, within an O(n(1-epsilon))-factor for any epsilon > 0 in polynomial time, unless NP = ZPP. For any well known graph class of unbounded boxicity, there is no known approximation algorithm that gives n(1-epsilon)-factor approximation algorithm for computing boxicity in polynomial time, for any epsilon > 0. In this paper, we consider the problem of approximating the boxicity (cubicity) of circular arc graphs intersection graphs of arcs of a circle. Circular arc graphs are known to have unbounded boxicity, which could be as large as Omega(n). We give a (2 + 1/k) -factor (resp. (2 + log n]/k)-factor) polynomial time approximation algorithm for computing the boxicity (resp. cubicity) of any circular arc graph, where k >= 1 is the value of the optimum solution. For normal circular arc (NCA) graphs, with an NCA model given, this can be improved to an additive two approximation algorithm. The time complexity of the algorithms to approximately compute the boxicity (resp. cubicity) is O(mn + n(2)) in both these cases, and in O(mn + kn(2)) = O(n(3)) time we also get their corresponding box (resp. cube) representations, where n is the number of vertices of the graph and m is its number of edges. Our additive two approximation algorithm directly works for any proper circular arc graph, since their NCA models can be computed in polynomial time. (C) 2014 Elsevier B.V. All rights reserved.

Impact of Stone-Wales and lattice vacancy defects on the electro-thermal transport of the free standing structure of metallic ZGNR

We report the effect of topological as well as lattice vacancy defects on the electro-thermal transport properties of the metallic zigzag graphene nano ribbons at their ballistic limit. We employ the density function theory-Non equilibrium green's function combination to calculate the transmission details. We then present an elaborated study considering the variation in the electrical current and the heat current transport with the change in temperature as well as the voltage gradient across the nano ribbons. The comparative analysis shows, that in the case of topological defects, such as the Stone-Wales defect, the electrical current transport is minimum. Besides, for the voltage gradient of 0.5 Volt and the temperature gradient of 300 K, the heat current transport reduces by similar to 62 % and similar to 50% for the cases of Stones-Wales defect and lattice vacancy defect respectively, compared to that of the perfect one.

Active guests in the MoS2/MoSe2 host lattice: efficient hydrogen evolution using few-layer alloys of MoS2(1-x)Se2x

Few-layer transition metal dichalcogenide alloys based on molybdenum sulphoselenides MoS2(1-x)Se2x] possess higher hydrogen evolution (HER) activity compared to pristine few-layer MoS2 and MoSe2. Variation of the sulphur or selenium content in the parent dichalcogenides reveals a systematic structure-activity relationship for different compositions of alloys, and it is found that the composition MoS1.0Se1.0 shows the highest HER activity amongst the catalysts studied. The tunable electronic structure of MoS2/MoSe2 upon Se/S incorporation probably assists in the realization of high HER activity.

Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility

Current organic semiconductors for organic photovoltaics (OPV) have relative dielectric constants (relative permittivities, epsilon(r)) in the range of 2-4. As a consequence, Coulombically bound electron-hole pairs (excitons) are produced upon absorption of light, giving rise to limited power conversion efficiencies. We introduce a strategy to enhance epsilon(r) of well-known donors and acceptors without breaking conjugation, degrading charge carrier mobility or altering the transport gap. The ability of ethylene glycol (EG) repeating units to rapidly reorient their dipoles with the charge redistributions in the environment was proven via density functional theory (DFT) calculations. Fullerene derivatives functionalized with triethylene glycol side chains were studied for the enhancement of epsilon(r) together with poly(p-phenylene vinylene) and diketo-pyrrolopyrrole based polymers functionalized with similar side chains. The polymers showed a doubling of epsilon(r) with respect to their reference polymers in identical backbone. Fullerene derivatives presented enhancements up to 6 compared with phenyl-C-61-butyric acid methyl ester (PCBM) as the reference. Importantly, the applied modifications did not affect the mobility of electrons and holes and provided excellent solubility in common organic solvents.

Structural, Magnetic, and Electrical Properties of Microwave-Sintered Cr3+-Doped Sr Hexaferrites

SrCrxFe12-xO19 (x = 0.0, 0.1, 0.3, 0.5, 0.7, 0.9) hexaferrites were prepared by a microwave-hydrothermal method and subsequently sintered at 950 degrees C for 90 min using the microwave sintering method. The results show that, with increasing Cr3+ content, the lattice parameters changed anisotropically. The average grain sizes of sintered samples were in the range of 280 nm to 660 nm. The saturation magnetization systematically decreased with increasing Cr3+ doping, but the coercivity values increased. The electrical resistivity (log rho) decreased linearly with increasing temperature up to a certain temperature known as the transition temperature (T-c), and T-c decreased with further increase (x>0.5) of the Cr3+ content. This decrease in log rho and the activation energy (E-g) is due to electron hopping and occupancy of doped ions at different lattice sites. We found that the dielectric constant and dielectric loss for all the samples decreased with the Cr3+ content. The structural, magnetic, and electrical properties of Cr3+-doped SrFe12O19 hexaferrites have thus been investigated.

On flame-turbulence interaction in constant-pressure expanding flames

In this paper we present one of the first high-speed particle image velocimetry measurements to quantify flame-turbulence interaction in centrally-ignited constant-pressure premixed flames expanding in nearisotropic turbulence. Measurements of mean flow velocity and rms of fluctuating flow velocity are provided over a range of conditions both in the presence and absence of the flame. The distributions of stretch rate contributions from different terms such as tangential straining, normal straining and curvature are also provided. It is found that the normal straining displays non-Gaussian pdf tails whereas the tangential straining shows near Gaussian behavior. We have further tracked the motion of the edge points that reside and co-move with the edge of the flame kernel during its evolution in time, and found that within the measurement conditions, on average the persistence time scales of stretch due to pure curvature exceed that due to tangential straining by at least a factor of two. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Effect of Ni-Zr codoping on dielectric and magnetic properties of SrFe12O19 via sol-gel route

Nanocrystalline strontium hexaferrites SrFe12-2x (Ni2+-Zr4+)(x)O-19] nanoparticles were successfully synthesized by sal gel process. For densification the powders were sintered at 950 degrees C/4 h. The sintered samples were characterized by X-ray diffraction (XRD), surface area measurement, and field emission scanning electron microscope (FESEM). The lattice parameter a is almost constant but c increased with x upto 0.8 and then decreased. The frequency dependent complex permittivity (epsilon and epsilon `' and permeability (mu' and mu `') and magnetic properties such as saturation magnetization (M-s), coercive field (H-c) were studied. If is observed that saturation magnetization increased gradually from 57.82 emuig to 67.2 emufg as x increased from 0.2 to 0.4 and then decreased from 672 emufg to 31.63 ernufg for x=1.0. In present study, x=0.4 shows high value of M-s 67.2 emu/g. The real part of permittivity (epsilon') remains constant upto a frequency 1 GHz and increases further with an increase of frequency, a resonance and anti resonance peak was observed above 1 GHz for all the samples. In real part of permeability (mu') the relaxation frequency is observed above 1 GHz for all the samples and it is attributed to the domain wall motion. It is well known that the permeability for polycrystalline ferrites can be described as the superposition of two different magnetizing mechanisms: spin rotation and domain wall motion. These low coercive strontium hexaferrites are suitable for magnetic recording applications in hard disks, floppy disks, video tapes, etc. (C) 2015 Elsevier B.V. All rights reserved.

Investigation of dielectric relaxation, Jahn-Teller distortion, and magnetic ordering in Y substituted Pr1-xYxMnO3 (0.1 <= x <= 0.4)

We report structural, magnetic, and dielectric properties of the perovskite compound Pr1-xYxMnO3 (0.1 <= x <= 0.4) studied using dc magnetization, ac susceptibility, neutron powder diffraction, and dielectric techniques. These compounds crystallize in orthorhombic space group (Pnma) in the temperature range 5-300 K. The Mn-O-Mn bond angle decreases with the Y substitution along with an increase in the Jahn-Teller distortion. The Jahn-Teller distortion for Pr0.9Y0.1MnO3 shows an anomalous change near 50 K, below which it falls sharply. Neutron powder diffraction patterns of all reported compositions at low temperature constitute additional magnetic Bragg peaks that suggest magnetic ordering. Magnetic reflections were indexed in the nuclear lattice with the propagation vector k = (0, 0, 0). Rietveld refinement of powder patterns conform to A type antiferromagnetic ordering where moments are aligned ferromagnetically in a-c plane and coupled nearly antiferromagnetically along b-axis resulting in a net ferromagnetic component along the b-direction. The antiferromagnetic transition temperature was deduced from dc magnetization and ac susceptibility data. The transition temperature decreases by nearly 22 K (from 81 K to 59 K) as yttrium content (x) increases from 0.1 to 0.4. Measurements reveal strong frequency dispersion in dielectric constant and dielectric loss. Activation energy and relaxation time are estimated from the Arrhenius plot. It is further shown that relaxation behaviour is altered with yttrium doping concentration. (C) 2015 AIP Publishing LLC.

A unique strategy towards high dielectric constant and low loss with multiwall carbon nanotubes anchored onto graphene oxide sheets

Multiwall carbon nanotubes (MWNTs) were anchored onto graphene oxide sheets (GOs) via diazonium and C-C coupling reactions and characterized by spectroscopic and electron microscopic techniques. The thus synthesized MWNT-GO hybrid was then melt mixed with 50/50 polyamide6-maleic anhydride-modified acrylonitrile-butadiene-styrene (PA6-mABS) blend to design materials with high dielectric constant (30) and low dielectric loss. The phase morphology was studied by SEM and it was observed that the MWNT-GO hybrid was selectively localized in the PA6 phase of the blend. The 30 scales with the concentration of MWNT-GO in the blends, which interestingly showed a very low dielectric loss (< 0.2) making them potential candidate for capacitors. In addition, the dynamic storage modulus scales with the fraction of MWNT-GO in the blends, demonstrating their reinforcing capability as well.

Modeling of solar radiation management: a comparison of simulations using reduced solar constant and stratospheric sulphate aerosols

The climatic effects of Solar Radiation Management (SRM) geoengineering have been often modeled by simply reducing the solar constant. This is most likely valid only for space sunshades and not for atmosphere and surface based SRM methods. In this study, a global climate model is used to evaluate the differences in the climate response to SRM by uniform solar constant reduction and stratospheric aerosols. Our analysis shows that when global mean warming from a doubling of CO2 is nearly cancelled by both these methods, they are similar when important surface and tropospheric climate variables are considered. However, a difference of 1 K in the global mean stratospheric (61-9.8 hPa) temperature is simulated between the two SRM methods. Further, while the global mean surface diffuse radiation increases by similar to 23 % and direct radiation decreases by about 9 % in the case of sulphate aerosol SRM method, both direct and diffuse radiation decrease by similar fractional amounts (similar to 1.0 %) when solar constant is reduced. When CO2 fertilization effects from elevated CO2 concentration levels are removed, the contribution from shaded leaves to gross primary productivity (GPP) increases by 1.8 % in aerosol SRM because of increased diffuse light. However, this increase is almost offset by a 15.2 % decline in sunlit contribution due to reduced direct light. Overall both the SRM simulations show similar decrease in GPP (similar to 8 %) and net primary productivity (similar to 3 %). Based on our results we conclude that the climate states produced by a reduction in solar constant and addition of aerosols into the stratosphere can be considered almost similar except for two important aspects: stratospheric temperature change and the consequent implications for the dynamics and the chemistry of the stratosphere and the partitioning of direct versus diffuse radiation reaching the surface. Further, the likely dependence of global hydrological cycle response on aerosol particle size and the latitudinal and height distribution of aerosols is discussed.

Computational design of model Re/Ru bearing Ni-base superalloys

It is well established that Re and Ru additions to Ni-base superalloys result in improved creep performance and phase stability. However, the role of Re and Ru and their synergetic effects are not well understood, and the first step in understanding these effects is to design alloys with controlled microstructural parameters. A computational approach was undertaken in the present work for designing model alloys with varying levels of Re and Ru. Thermodynamic and first principles calculations were employed complimentarily to design a set of alloys with varying Re and Ru levels, but which were constrained by constant microstructural parameters, i.e., phase fractions and lattice misfit across the alloys. Three ternary/quaternary alloys of type Ni-Al-xRe-yRu were thus designed. These compositions were subsequently cast, homogenized and aged. Experimental results suggest that while the measured volume fraction matches the predicted value in the Ru containing alloy, volume fraction is significantly higher than the designed value in the Re containing alloys. This is possibly due to errors in the thermodynamic database used to predict phase fraction and composition. These errors are also reflected in the mismatch between predicted and measured values of misfit.

Phase space path integral approach to harmonic oscillator with a time-dependent force constant

The quantum statistical mechanical propagator for a harmonic oscillator with a time-dependent force constant, m omega(2)(t), has been investigated in the past and was found to have only a formal solution in terms of the solutions of certain ordinary differential equations. Such path integrals are frequently encountered in semiclassical path integral evaluations and having exact analytical expressions for such path integrals is of great interest. In a previous work, we had obtained the exact propagator for motion in an arbitrary time-dependent harmonic potential in the overdamped limit of friction using phase space path integrals in the context of Levy flights - a result that can be easily extended to Brownian motion. In this paper, we make a connection between the overdamped Brownian motion and the imaginary time propagator of quantum mechanics and thereby get yet another way to evaluate the latter exactly. We find that explicit analytic solution for the quantum statistical mechanical propagator can be written when the time-dependent force constant has the form omega(2)(t) = lambda(2)(t) - d lambda(t)/dt where lambda(t) is any arbitrary function of t and use it to evaluate path integrals which have not been evaluated previously. We also employ this method to arrive at a formal solution of the propagator for both Levy flights and Brownian subjected to a time-dependent harmonic potential in the underdamped limit of friction. (C) 2015 Elsevier B.V. All rights reserved.

Noble metal ion substituted CeO2 catalysts: Electronic interaction between noble metal ions and CeO2 lattice

In last 40 years, CeO2 has been found to play a major role in the area of auto exhaust catalysis due to its unique redox properties. Catalytic activity is enhanced when CeO2 is added to the noble metals supported Al2O3 catalysts. Reason for increase in catalytic activity is due to higher dispersion of noble metals in the form of ions in CeO2. This has led to the idea of substitution of noble metal ions in CeO2 lattice acting as adsorption sites instead of nanocrystalline noble metal particles on CeO2. In this article, a brief review of synthesis, structure and catalytic properties of noble metal ions dispersed on CeO2 resulting in noble metal ionic catalysts (NMIC) like Ce1-xMxO2-delta, Ce1-x-yTixMyO2-delta, Ce1-x-yZrxMyO2-delta, Ce1-x-ySnxMyO2-delta and Ce1-x-yFexMyO2-delta (M = Pt, Pd, Rh and Ru) are presented. Substitution of Ti, Zr, Sn and Fe in CeO2 increases oxygen storage capacities (OSC) due to structural distortion, whereas dispersion of noble metal ions in Ti, Zr, Sn and Fe substituted CeO2 supports increase both OSC and catalytic activities. Electronic interaction between noble metal ions and CeO2 in NMICs responsible for higher OSC and higher catalytic activities is discussed. (C) 2015 Published by Elsevier B.V.