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A new series of Telluroborate glasses doped with Pr3+ ions, featuring a chemical composition of (50–x) B2O3·20TeO2·15Mg2CO3·15K2CO3·xPr6O11 (where x= 0, 0.4, 0.5, 1, and 1.5 in wt%) have been synthesized by the conventional melt quenching technique and subsequently subjected the prepared glass samples to comprehensive characterization, including Raman, FTIR, and photoluminescence measurements. The Raman spectra show the presence of various vibrational bonds of borate and tellurite network. The FTIR spectra reveal the diverse bending and stretching vibrations of the bonds within the current glass samples. The CIE chromaticity coordinates, (x,y) and (u,v) and the correlated color temperature (CCT) were calculated from the luminescence spectra to investigate the predominant emission color of the aforementioned glasses. The results of this analysis have been thoroughly discussed and are presented in detail. [ABSTRACT FROM AUTHOR]

In the present paper we derive the plasma dispersion equation under the effect of ionization rate in a dust plasma to investigate the electrostatic ion cyclotron instability, where dust charge fluctuation is absent. It has one of the lowest threshold drift velocities among all the current-driven instabilities in isothermal plasma. The Electrostatic ion cyclotron instability in a dusty plasma containing electrons, light ions, and massive negatively charged dust grains which can be investigated both experimentally and theoretically. [ABSTRACT FROM AUTHOR]

The essence of experimental ultra-relativistic heavy ion collision physics is the production and study of strongly interacting matter at extreme energy densities, temperatures and consequent search for equation of state of nuclear matter. The focus of the analysis has been to examine pseudo-rapidity distributions obtained for the γ-like particles in pre-shower photon multiplicity detector. This allows the extension of scaled factorial moment analysis to bin sizes smaller than those accessible to other experimental techniques. Scaled factorial moments are calculated using horizontal corrected and vertical analysis. The results are compared with simulation analysis using VENUS event generator. [ABSTRACT FROM AUTHOR]

Nanofluid is becoming a promising heat transfer fluids due to its improved thermo-physical properties and heat transfer performance. Micro channel heat transfer has potential application in the cooling high power density microchips in CPU system, micro power systems and many such miniature thermal systems which need advanced cooling capacity. Use of nanofluids enhances the effectiveness of t=scu systems. Computational Fluid Dynamics (CFD) is a very powerful tool in computational analysis of the various physical processes. It application to the situations of flow and heat transfer analysis of the nano fluids is catching up very fast. Present research paper gives a brief account of the methodology of the CFD and also summarizes its application on nano fluid and heat transfer for microchannel cases. [ABSTRACT FROM AUTHOR]

FTIR spectra of RhodamineB dye in powder form and in different solvents are reported. Positions of some of the observed FTIR bands show noticeable change in solvents. The bands, which shift, have contributions from the vibrational motion of nitrogen atoms of the diethylamine groups, oxygen atom of the carboxylic group attached to the phenyl ring and oxygen atom of the Xanthene ring. [ABSTRACT FROM AUTHOR]

Imidazole is incorporated into many important biological molecules. The most obvious is the amino acid histidine, which has an imidazole side chain. Histidine is present in many proteins and enzymes and plays a vital part in the structure and binding functions of hemoglobin. Therefore it is important to study its proton transfer property. In the present work proton transfer from imidazole to chloranil is investigated by Fourier Transform Infra red Spectroscopy. [ABSTRACT FROM AUTHOR]

Solar power generation has accelerated worldwide during the last decade. Often the regions of high intensity of solar radiation are in the desert areas which are prone to Haboobs (Arabic word meaning “wind”). Haboobs are sandstorms caused by strong horizontal winds. They occur regularly in arid regions throughout the world. Impact of these events has been examined from various angles such as health, aviation, transportation, agriculture as they affect a billion people around the world. Here it is shown that these events can decrease the yield of a solar photovoltaic plant significantly. Analysis of measured solar radiation during a sand storm is carried out to assess its impact on solar power generation. [ABSTRACT FROM AUTHOR]

This paper work reveals certain aspects of magnetic properties of bcc ferromagnetic films. Variations in next nearest neighbor interaction drastically alter Curie temperature (Tc) of the film. A lattice size of 50×50×50 has been taken with one spin site each at the centers of the unit cells. Metropolis algorithm has been exploited with periodic boundary conditions along the three directions i.e. X, Y and Z. The phase diagram plotted between Curie temperature (Tc) and next nearest neighbor interactions (Jnn) shows a linear response. It helps to correlate and explore the underlying physics of spontaneous magnetization process in bcc Ising ferromagnetic films. [ABSTRACT FROM AUTHOR]

A theoretical model to study the optical sensitivity of a metal-semiconductor field effect transistor has been proposed for a relatively high drain field. An analytical expression of drain current of the device has been derived for a MESFET under optical illumination considering field dependent mobility of electrons across the channel. The variation of drain current with and without optical illumination has been studied with drain and gate voltages. The optical sensitivity of the drain current has been studied for different biasing conditions and gate lengths. In addition, the shift in threshold voltage of a MESFET under optical illumination is determined and optical sensitivity of the device in terms of its threshold voltage has been studied. [ABSTRACT FROM AUTHOR]

In this paper, CCW method has been used to study the behavior of dusty real gas on adiabatic propagation of cylindrical imploding strong shock waves. The strength of overtaking waves is estimated under the assumption that both C+ and C- disturbances propagate in non-uniform region of same density distribution. It is assumed that the dusty gas is the mixture of a real gas and a large number of small spherical solid particles of uniform size. The solid particles are uniformly distributed in the medium. Maintaining equilibrium flow conditions, the expressions for shock strength has been derived both for freely propagation as well as under the effect of overtaking disturbances. The variation of all flow variables with propagation distance, mass concentration of solid particles in the mixture and the ratio of solid particles to the initial density of gas have been computed and discussed through graphs. It is found that the presence of dust particles in the gases medium has significant effects on the variation of flow variables and the shock is strengthened under the influence of overtaking disturbances. The results accomplished here been compared with those for ideal gas. [ABSTRACT FROM AUTHOR]

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (ӨD), Grǘneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grǘneisen parameter instead of temperature. Debye temperature and Grǘneisen parameter both remains almost constant for the temperature range (0-300K) while Grǘneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly. [ABSTRACT FROM AUTHOR]

Using quantum theory, we study the variation of magnetization of a ferromagnetic substance with temperature under the influence of an external field. From a theoretical standpoint the variation of magnetization with temperature is also studied in connection with spontaneous magnetization. An attempt is also made to find the maximum allowable distance between two spherically shaped ferromagnetic nanoclusters to retain magnetic ordering at a particular temperature. Different sizes of nanoclusters are used to find the relevant cluster separation to retain magnetic ordering and a theoretical expression relating the cluster separation with the cluster size is established. [ABSTRACT FROM AUTHOR]

This work presents a theoretical-mathematical model for the ferromagnetic hysteresis. Theoretical understanding on ferromagnetism can be achieved through addressing the self-interaction propensity between the magnetic dipole moments associated with the magnetic domains, in conjunction with the pinning effects of the dipoles with the defects in the domain sites. An expression which relates ferromagnetic magnetization to the effective magnetic field was established in our previous work (AIP Conference Proceedings 1665, 130042 (2015)). Using this relation and solving for the reversible and the irreversible components of the magnetization, we successfully show that the magnetic saturation and the magnetic remanence can be achieved theoretically. This work also estimates the range of the external field that can be used to trace a reversible M-H curve. [ABSTRACT FROM AUTHOR]

The electronic structures of tetragonal structure of PbTiO3 are analyzed by density functional theory using the PBE exchange–correlation functional and the local density approximation (LDA) in Quantum Espresso simulation package. The calculated relaxed lattice parameters are a = 3.79 Å and c = 3.85 Å, yielding a c/a ratio of 1.015 and indirect band gap of 1.63 eV. We find that PbTiO3 preserves the tetragonal P4mm structure. Our results show that it is effective technique to find lattice parameters and tune the band gap. [ABSTRACT FROM AUTHOR]

In this paper work, pattern formation in ultra thin polymer film, adsorbed on chemically patterned substrates, is reported under strong confinement. The observations indicate for the strong influence of the surface attraction over evolution of spindoal waves, leading to the flattening of the film. But, the film appears to be torn apart in strip or nano fiber like structures, because of coalescences of the monomers at the free ends of the chains. The beads at the free ends of the chain are relatively more mobile. The chain diffusion towards attractive part of the chemically patterned surfaces is clearly seen. Prewetting or crystallization like phenomena seems to appear resulting into formation of strips with coexistence of molten phase drops at the top of the ruptured film. The investigation mimics spindoal dewetting because of the fact that the rupturing occurs in case of strong attractive surface. The investigation is of technical importance as it highlights the formation of nano scale strips and fibers though in a quasi equilibrium case. [ABSTRACT FROM AUTHOR]

This paper work presents the results of Monte Carlo simulation performed for ultra thin short chained polymer films near melt, under strong confinement. Thin polymer films get ruptured when annealed above their glass transition temperatures. The pattern formations are generally explained on the basis of spinodal mechanism, if the thickness of the film is of the order of few tens of nanometers i.e. <100 nm. In this case, the film seems to tear apart in strips. The free end segments of the chains are more dynamic and coalescence into one another. This process seems to dominate over the spinodal waves resulting into a different type of dynamics. Polymer chains with 30 monomers are taken. 160, 200 and 240 chains are taken for three different cases of the studies. The three cases correspond to three different thickness of the films with 8, 10 and 12 layers of chains along direction perpendicular to the confining substrates. The bottom surface has affinity to monomers, whereas the upper surface has hard wall interaction with the monomers. Different time micrographs of the films are plotted along with density distributions of the monomers to explore the process. [ABSTRACT FROM AUTHOR]

Energy loss (EL) of charged particles in target medium needs special attention, when measurements are required to be done repeatedly over periods of couple of days. It is imperative to ensure that the measurements are not affected by the long term drifts of the accelerator beam energy and the associated electronic modules. For one such situation in measurement of EL of proton beam in thick target, we optimised and standardized the technique of measuring most probable energy loss of 24.774 MeV proton in aluminium target of thickness 330 mg/cm2. The paper described the method that we developed to ensure that our EL measurements were free from effects of drifts due to any associated electronic modules. The details of the energy spectrometer, basic principle and technique for energy loss measurements in target medium are described in this paper. [ABSTRACT FROM AUTHOR]

Photogalvanic effect was studied in Photogalvanic cell containing Rose Extract was used as Natural Dye (Photosensitizer), Nitrilotriacetic acid (NTA) as Reductant. The observed value of photopotential and photocurrent generated by this cell were 872 mV and 176 µA, respectively. The observed power at power point was 82.18 µW and the conversion efficiency was 0.79 %. The fill factor 0.4678 was experimentally determined at the power point of the cell. The photogalvanic cell can be used in dark for 42 min., showing the storage capacity of the cell against charging time was 200 min. The effect of different parameters on electrical output of the cell was observed and a mechanism has also been proposed for the generation of photocurrent in photogalvanic cell. [ABSTRACT FROM AUTHOR]

Organic semiconductors have so far found extensive practical applications similar to inorganic semiconductors. Interest in these compounds has been stimulated by the synthesis of several powerful electron acceptors, such as tetracynoethylene (TCNE), 7, 7, 8, 8, tetracynoquinodimethane (TCNQ) and cyno-p-benzoquinone. In this connection TCNQ is of particular interest, due to presence of four powerful electron accepting groups in its molecule. Nucleophillic addition reactions, which are rarely encountered among unsaturated compounds, as well as addition reactions proceeding via a one electron transfer stage are characteristic of this substance. [ABSTRACT FROM AUTHOR]

The nonlinear optical properties and natural bond analysis properties, different global chemical reactivity properties of the compound 4-hydroxy quinoline-2-carboxylic acid are studied by density function theory. The dipole moment (μ) and linear polarizability are found 1.60259 D and 15.138×10−24esu respectively. A comparatively greater value dipole moment 1.46154 D is obtained in direction of μy. It was observed the interaction energies of acceptor of NBO C1 - C2 and donor C5 - C6, NBO of C13 - N15 and C9 - C12, NBO of C13 - N15 and C18 - O21, NBO of O19 and C18 - O21 are 30.92, 358.86, 320.39, 58.55 Kcal/mol. We are getting the low ionization energy 7.033 electron volt (eV) for the studied molecule, which indicates the high inhibition efficiency. Here we note that, high value of ionisation energy indicating the high stability as well as inertness of that molecule. The HOMO and LUMO energies are found -7.033 eV and -2.5212 eV respectively. [ABSTRACT FROM AUTHOR]

2,4-bis{f3-(9H-carbazol-9-yl)-9H-carbazol-9-yl}-6-phenyl-1,3,5-triazine (CC2TA) is a triazine derivatives in which the acceptor phenyltriazine unit is used as the central skeleton and donor bicarbazole units are bonded to both ends of the skeleton. Molecular orbital calculations exhibit that the HOMO and LUMO are locally allocated chiefly in the bicarbazole and phenyltriazine units, respectively. There are a class of organic molecules and polymers which exhibit semiconductor behavior because of nearly free conjugate π-electrons. Hopping of these electrons in molecules forms different excited singlet and triplet states named as excitons. Some of these organic molecules can be set to emit photons by triplet-singlet excitonic transition via a process called Thermally Activated Delayed Fluorescence (TADF) which is exploited for designing the Organic Light Emitting diode (OLED.) CC2TA is one of these reported noble metal-free TADF molecules which offers unique opto electronic properties arising from the reverse intersystem crossing between the lowest singlet (S) and triplet (T) excited states. Its ability to harvest triplet excitons for fluorescence through facilitated reverse intersystem crossing (T→S) could directly impact their properties and performances, which is attractive for a wide variety of low-cost optoelectronic device. In the present study, the CC2TA compounds have been taken up for the investigation of various optoelectronic properties including the thermally activated delayed fluorescence (TADF) by using the Koopmans Method and Density Functional Theory. The present study discusses the utility of the CC2TA organic semiconductor as a suitable TADF material essential for developing an efficient Organic Light Emitting Diode (OLED). [ABSTRACT FROM AUTHOR]

There are a class of organic molecules and polymers which exhibit semiconductor behavior because of nearly free conjugate π-electrons. Hopping of these electrons in molecules forms different excited singlet and triplet states named as excitons. Some of these organic molecules can be set to emit photons by triplet-singlet excitonic transition via a process called Thermally Activated Delayed Fluorescence (TADF) which is exploited for designing the Organic Light Emitting diode (OLED.) Spiro-CN (spirobifluorene skeletons) Spiro is one of these reported noble metal-free TADF molecules which offers unique optical and electronic properties arising from the efficient transition and reverse intersystem crossing between the lowest singlet (S) and triplet (T) excited states. Its ability to harvest triplet excitons for fluorescence through facilitated reverse intersystem crossing (T→S) could directly impact their properties and performances, which is attractive for a wide variety of low-cost optoelectronic device. In the present study, the Spiro-CN compounds have been taken up for the investigation of various optoelectronic properties including the thermally activated delayed fluorescence (TADF) by using the Koopmans Method and Density Functional Theory. The present study discusses the utility of the Spiro-CN organic semiconductor as a suitable TADF material essential for developing an efficient Organic Light Emitting Diode (OLED). [ABSTRACT FROM AUTHOR]

Ever since behavior of photons were explained in terms of the matter-wave duality, mystery about the size of such a photon as it behaves like a particle has never slipped out from the scientific discussions. It is normally believed that the size of the photons is of the order of the wavelength of the electromagnetic wave. This paper addresses this scientific concern and attempts at opening the issue up for discussion after making a completely theoretical but consistent proposition. The argument presented here borrows the idea from the way particles have been conceptualized in quantum mechanics. In quantum mechanics it is argued that a particle gets represented not by a single wave but a group of waves in a way that the group velocity of such a group of waves exactly gives the velocity of the particle. Based on the same argument it is explained how the coherence length instead of the wavelength of the electromagnetic wave, must estimate the linear dimension of a photon. In the end, the discussion on the size of a photon in view of the special theory of relativity is also initiated in this paper. [ABSTRACT FROM AUTHOR]

Beta alumina ceramic is well known as a polycrystalline ceramic material. The characteristic crystal structure of beta-alumina makes it useful as a separator in sodium sulphur batteries and other electrochemical devices requiring the passage of sodium ions. β”-alumina powders for this study were prepared by zeta process. The pellets were sintered at different microwave power levels and power schedule to optimize the sintering conditions to obtain preferred β” phase with improved microstructure. Phase identification was studied by X-ray diffraction (XRD). XRD analysis shows increase in β’’ phase as the sintering temperature was increased from 1400°C to 1600°C. Surface morphology of the pellets was carried out by Scanning Electron microscopy (SEM). SEM studies revealed the formation and growth of platelet grains with interconnected porosity. [ABSTRACT FROM AUTHOR]

Magnetic properties of thin ferromagnetic films are drastically altered by the presence of magnetic and non-magnetic interfaces. This paper explores thickness dependent spontaneous magnetization in magnetically striped thin films. Below a certain thickness of the film, the spontaneous magnetization process does not occur. The saturation in net magnetization is achieved without showing any critical behavior. The magnetization monotonically increases with decrease in temperature. Specific heat capacity vs temperature for different thickness of the films, are plotted. Specific heat capacity indicates that spin fluctuations in ultra thin films are large. That may result into the absence of spontaneous magnetization because of dimensionality effect. [ABSTRACT FROM AUTHOR]

Upconversion quantum dots of tyrosine doped LaF3:Ce nanoparticles have been synthesized by wet chemical route. The thermal studies (TGA/DTA) confirm the crystallinity and stability of different phases of synthesized nanoparticles. The UV-Visible spectra show multiple absorption edges at 215.60 nm and 243.10 nm indicating quantum dot nature of the synthesized nanoparticles. The PL spectra showed upconversion with sharp emission peak at 615 nm (red colour). The FT-RAMAN spectra of the synthesized nanoparticles show the modification of the surface of the nanoparticles in the form of functional groups and skeletal groups. Upconversion nature of the synthesized nanoparticles indicates their potential application in bioimaging and biotagging. [ABSTRACT FROM AUTHOR]

First principles calculations on Aun and Aun-1Li (n=1-6) clusters are performed to understand the effect of size and composition on their structural and energy parameters. It has been found that binding energy increases continuously with increase in the size of pure Aun and doped Aun-1Li clusters and attains its maximum at n=6. Also, Li doping results in the improvement of relative stabilities of pure gold clusters, owing to higher bond strength (i.e. shorter bond length) of Au- Li bond as compared to Au-Au bonds. Moreover, Aun-1Li clusters are found to be more compact. Structural transformations are observed in case of gold clusters doped with Li atom which may affect their application in the field of catalysis. [ABSTRACT FROM AUTHOR]

In this article the time-moments of the Poynting vector associated with an electromagnetic pulse are used to characterize the traversal time and the pulse width as the pulse propagates through highly dispersive media. The behaviour of these quantities with propagation distance is analyzed in two physical cases: Lorentz absorptive medium, and Raman gain doublet amplifying medium. It is found that the superluminal pulse propagation in these two cases with anomalous dispersion is always accompanied by pulse compression and eventually the pulse becomes subluminal with increasing distance of propagation. [ABSTRACT FROM AUTHOR]

In this manuscript, the dielectric behavior of a variety of ferroelectric polymer dielectrics (FPD), which may bethe materials for future electrostatic energy storage application shave been discussed. The variety of polymer dielectrics, comprising of ferroelectric polymer[polyvinylidene fluoride (PVDF)]/non-polarpolymer [low density polyethylene (LDPE)] and different sizes of metal particles (Ni, quasicrystal of Al-Cu-Fe) as filler, were prepared through different process conditions (cold press/hot press) and are investigated experimentally. Very high values of effective dielectric constants (εeff) with low loss tangent (Tan δ) were observed forall the prepared FPD at their respective percolation thresholds (fc). The enhancement of εeff and Tan δ at the insulator to metal transition (IMT) is explained through the boundary layer capacitor effect and the percolation theory respectively. The non-universal fc/critical exponents across the IMT have been explained through percolation theory andis attributed to the fillerparticle size& shape, interaction between the components, method of their preparation, adhesiveness, connectivity and homogeneity, etc. of the samples. Recent results on developed FPD with high εeff and low Tan δ prepared through cold press have proven themselves to be the better candidates for low frequency and static dielectric applications. [ABSTRACT FROM AUTHOR]

The aim of this research work is to find the EFGM solutions of the unsteady magnetohydromagnetic natural convection heat transfer flow of a rotating, incompressible, viscous, Boussinesq fluid is presented in this study in the presence of radiative heat transfer. The Rosseland approximation for an optically thick fluid is invoked to describe the radiative flux. Numerical results obtained show that a decrease in the temperature boundary layer occurs when the Prandtl number and the radiation parameter are increased and the flow velocity approaches steady state as the time parameter t is increased. These findings are in quantitative agreement with earlier reported studies. [ABSTRACT FROM AUTHOR]

The unsteady hydromagnetic free convection heat transfer couette flow, viscous incompressible electrically conducting fluid in a rotating system has been considered. A Finite Element Method (FEM) employed to find the numerical solutions of the dimentionless governing copuled PDEs with suitable boundary conditions. The primary, secodary velocity and temperature have been obtained. These are shown graphical form. [ABSTRACT FROM AUTHOR]

Here we are exploring the widespread features or the characteristics of the microscopic transport modeling and also the speculations made for the approach to fit it to the dynamics of high energy heavy ion collisions, when we see its expansion in space-time dimensions. The explanation of initial stages of the hot and high dense region, the hydrodynamics is instigated and further moderate stages of reaction are complemented to microscopic transport. [ABSTRACT FROM AUTHOR]

The composites of ferrite-ferroelectric system (x) Mg0.2Cu0.3Zn0.5Fe2O4+ (1-x) Ba0.8Zr0.2TiO3 (x=15%, 30%, 45%) were synthesized by sintering mixtures of ferroelectric Ba0.8Zr0.2TiO3 (BZT) and ferrite component Mg0.2Cu0.3Zn0.5Fe2O4 (MCZF). The presences of two phases in magneto-electric composites were probed by X-ray diffraction (XRD) studies. The peaks observed in the XRD spectrum indicated spinel cubic structure for MCZF ferrite and tetragonal perovskite structure for BZT and, both spinel and pervoskite structures for synthesized composites. Surface morphology of the samples has been investigated using Field Emission Scanning Electron Microscope (FESEM). Frequency dependent dielectric properties of synthesized composites were measured from 100 Hz to 1 MHz at RT using HIOKI LCR HI-TESTER. The dielectric dispersion is observed at lower frequencies for the synthesized ME composites. The ferroelectric properties of synthesized composites were analyzed using a Precision ferroelectric tester. It is observed that the composites exhibited ferroelectric hysteresis with wide loops indicating lossy nature of composites. [ABSTRACT FROM AUTHOR]

We report charge transport in electronic ’barriers’ constructed by sequence engineering in DNA. Considering the ionization potentials of Thymine-Adenine (AT) and Guanine-Cytosine (GC) base pairs, we treat AT as ’barriers’. The effect of DNA conformation (A and B form) on charge transport is also investigated. Particularly, the effect of width of ’barriers’ on hole transport is investigated. Density functional theory (DFT) calculations are performed on energy minimized DNA structures to obtain the electronic Hamiltonian. The quantum transport calculations are performed using the Landauer-Buttiker framework. Our main findings are contrary to previous studies. We find that a longer A-DNA with more AT base pairs can conduct better than shorter A-DNA with a smaller number of AT base pairs. We also find that some sequences of A-DNA can conduct better than a corresponding B-DNA with the same sequence. The counterions mediated charge transport and long range interactions are speculated to be responsible for counter-intuitive length and AT content dependence of conductance of A-DNA. [ABSTRACT FROM AUTHOR]

This paper presents an analysis of structural and optical properties of cubic titanium dioxide (TiO2) using Orthogonalzed Linear Combinations of Atomic Orbitals (OLCAO) basis set under the framework of Density Functional Theory (DFT). The structural property, specially the lattice constant ‘a’ and the optical properties such as refractive index, extinction coefficient, and reflectivity are investigated and discussed in the energy range of 0-16 eV. Further, the results have compared with previous theoretical as well as with experimental results. It was found that DFT based simulation results are approximation to experimental results. [ABSTRACT FROM AUTHOR]

The temperature measurement of the laser ignited aluminized Nano energetic mixture using spectroscopy has a great scope in in analysing the material characteristic and combustion analysis. The spectroscopic analysis helps to do in depth study of combustion of materials which is difficult to do using standard pyrometric methods. Laser ignition was used because it consumes less energy as compared to electric ignition but ignited material dissipate the same energy as dissipated by electric ignition and also with the same impact. Here, the presented research is primarily focused on the temperature analysis of energetic material which comprises of explosive material mixed with nano-material and is ignited with the help of laser. Spectroscopy technique is used here to estimate the temperature during the ignition process. The Nano energetic mixture used in the research does not comprise of any material that is sensitive to high impact. [ABSTRACT FROM AUTHOR]

In the present paper, the sensitivity of ethanol and methanol molecules on surface of single vacancy defected graphene has been investigated using density functional theory (DFT). The changes in structural and electronic properties before and after adsorption of ethanol and methanol were analyzed and the obtained results show high adsorption energy and charge transfer. High adsorption happens at the active site with monovacancy defect on graphene surface. Present work confirms that the defected graphene increases the surface reactivity towards ethanol and methanol molecules. The presence of molecules near the active site affects the electronic and transport properties of defected graphene which makes it a promising choice for designing methanol and ethanol sensor. [ABSTRACT FROM AUTHOR]

In the present paper, the study of electrostatic electron cyclotron parallel flow velocity shear instability in presence of perpendicular inhomogeneous DC electric field has been carried out in the magnetosphere of Saturn. Dimensionless growth rate variation of electron cyclotron waves has been observed with respect to k⊥ρe for various plasma parameters. Effect of velocity shear scale length (Ae), inhomogeneity (P/a), the ratio of ion to electron temperature (Ti/Te) and density gradient (εnρe) on the growth of electron cyclotron waves in the inner magnetosphere of Saturn has been studied and analyzed. The mathematical formulation and computation of dispersion relation and growth rate have been done by using the method of characteristic solution and kinetic approach. This theoretical analysis has been done taking the relevant data from the Cassini spacecraft in the inner magnetosphere of Saturn. We have considered ambient magnetic field data and other relevant data for this study at the radial distance of ∼4.82-5.00 Rs. In our study velocity shear and ion to electron temperature ratio have been observed to be the major sources of free energy for the electron cyclotron instability. The inhomogeneity of electric field caused a small noticeable impact on the growth rate of electrostatic electron cyclotron instability. Density gradient has been observed playing stabilizing effect on electron cyclotron instability. [ABSTRACT FROM AUTHOR]

In the present paper Oblique propagating electromagnetic ion-cyclotron wave has been analyzed for anisotropic multi ion plasma (H+, He+, O+ ions) in earth magnetosphere for the Dione shell of L=7 i.e., the outer radiation belt of the magnetosphere for Loss-cone distribution function with a spectral index j in the presence of A.C. electric field. Detail for particle trajectories and dispersion relation has been derived by using the method of characteristic solution on the basis of wave particle interaction and transformation of energy. Results for the growth rate have been calculated numerically for various parameters and have been compared for different ions present in magnetosphere. It has been found that for studying the wave over wider spectrum, anisotropy for different values of j should be taken. The effect of frequency of A.C. electric field and angle which propagation vector make with magnetic field, on growth rate has been explained. [ABSTRACT FROM AUTHOR]

In this paper, we deal with the oblique electromagnetic electron cyclotron (EMEC) waves in the Uranus magnetosphere. The expression of the dispersion relation is plotted by using the method of the feature solution. After the kinetic method, the growth rate and the actual frequency of the EMEC wave are studied theoretically in the Uranian system. NASA, Voyager 2, the observed results of the space detectors show that the spin axes of the planets are abnormally oriented and that there are more particles in the high energy tail of the Uranian magnetospheric plasma. Therefore, this paper uses the Kappa distribution instead of the usual Maxwell distribution. The study extends to the tilt propagation of EMEC waves, which has a change in temperature anisotropy and propagation angle with respect to the direction of the magnetic field. These parameters were found to support the growth rate of EMEC waves. However, the response of the actual frequency of these waves is not the same as the rate of growth in all cases. These results apply to the detailed comparison of planetary studies of the space plasma environment and the magnetosphere system. [ABSTRACT FROM AUTHOR]

We have computed the Mulliken’s populations (MP) and electron momentum densities (EMDs) for TMWO4 (TM=Co, Ni, Cu and Zn) using linear combination of atomic orbitals (LCAO) scheme. The latest hybridization of Hartree-Fock (HF) and density functional theory (DFT) under the framework of LCAO approximations (so called WC1LYP and B1WC) have been employed. The theoretical EMDs have been compared with the available experimental data which show that WC1LYP scheme gives slightly better agreement with the experimental data for all the reported tungstates. Such trend shows the applicability of Lee-Yang-Parr (LYP) correlation energies within hybrid approximations in predicting the electronic properties of these compounds. Further, the MP data show the charge transfer from Co/Ni/Cu/Zn and W to O atoms. In addition, we have plotted the total EMDs at the same normalized area which show almost similar type of localization of 3d electrons (in real space) of Cu and Zn, which is lower than that of Ni and Co atoms in their tungstates environment. [ABSTRACT FROM AUTHOR]

CdTe rectangular nanowire of different diameter in zinc-blende phase is investigated using density functional theory. Enhancement of diameter increased stability and improved electronic qualities suitable for device purpose applications. Cohesive energy per atom enhanced on enlarging diameter advocating the stability. Large diameter nanowire (22.62Å) exhibits bandgap of 1.21eV and electronic effective mass is observed to be 0.51me. The bonding between Cd-Te atoms are predominantly observed as covalent assuring its inertness towards moisture. [ABSTRACT FROM AUTHOR]

The study of effective atomic number of biomedical sample has been carried out by using a non-destructive multiple back-scattering technique. Also radiation characterization method is used to compare the tissue equivalent material as human tissue. Response function of 3″ × 3″ NaI(Tl) scintillation detector is implemented on recorded pulse-height distribution to boost the counts under the photo-peak and help to reduce the uncertainty in the experimental result. Monte Carlo calculation for multiple back-scattered events supports the reported experimental work. [ABSTRACT FROM AUTHOR]

We have studied the behaviour of ionospheric Total Electron Content (TEC) at a mid latitude station Usuda (36.130N, 138.360E), Japan during intense geomagnetic storms which were observed during 23 solar cycle (1998-2006). For the present study we have selected 47 intense geomagnetic storms (Dst≤-100nT), for the given period, which were then categorised into four categories depending upon their solar and interplanetary sources like Magnetic Cloud (MC), Co-rotating Interaction Region (CIR), Sheath driven Interplanetary Coronal Mass Ejection (SH+ICME) and Sheath driven Magnetic cloud (SH+MC). From our study we found that the geomagnetic storms significantly affect the ionosphere having any of the solar origin. However the geomagnetic storms which are either caused by SH+MC or SH+ICME produced maximum effect in TEC. [ABSTRACT FROM AUTHOR]

The calculation is carried out using the FPLAPW method in the DFT framework within mBJ and LDA using the WIEN2k code. The investigation of electronic properties showed Ba2VMoO6 to be semi-metal in spin-up and insulation in spin down. In both spin up and spin down channel, direct band gap along with indirect band gap in ΓX direction was observed. For investigation of the optical transitions in this compound, the real and imaginary parts of the dielectric function, reflectivity, refractive index and optical conductivity of real and imaginary parts are calculated and analysed. [ABSTRACT FROM AUTHOR]

This paper is concerned with analyzing the role of polymer swelling induced surface stress in MEMS chemical sensors. The objective is to determine the impact of surface stress on the chemical discrimination ability of MEMS resonator sensors. We considered a case study of hypoxia detection by MEMS sensor array and performed several types of simulation experiments for detection of oxidative stress volatile organic markers in human breath. Both types of sensor response models that account for the surface stress effect and that did not were considered for the analyses in comparison. It is found that the surface stress (hence the polymer swelling) provides better chemical discrimination ability to polymer coated MEMS sensors. [ABSTRACT FROM AUTHOR]

Fine-structure energy levels belonging to 2p63s2, 2p63s3p, 2p63p2 and 2p63p3d for Mo XXXI have been calculated using the multi-configuration Dirac–Fock method including Quantum electrodynamics (QED) corrections. Most of our calculations of energy levels show good agreement with experimental data available on NIST. Lifetimes for excited levels have also been calculated. [ABSTRACT FROM AUTHOR]