Comparison of electrical resistivity by geophysical method and neutron probe logging for soil moisture monitoring in a forested watershed

Geophysical methods are becoming more popular nowadays in the field of hydrology due to their time and space efficiency. So an attempt has been made here to relate electrical resistivity with soil moisture content in the field. The experiments were carried out in an experimental watershed `Mulehole' in southern India, which is a forested watershed with approximately 80% red soil. Five auger holes were drilled to perform the soil moisture and electrical resistivity measurements in a toposequence having red and black soils, with sandy weathered soil at the bottom. Soil moisture was measured using neutron probe and electrical resistivity was measured using electrical logging tool. The results indicate that electrical resistivity measurements can be used to measure soil moisture content for red soils only.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. © 2012 Wiley Periodicals, Inc.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. (c) 2012 Wiley Periodicals, Inc.

Determination of electric field at and near the focus of a cylindrical lens for applications in fluorescence microscopy

We present an explicit computable integral solution of the electric field generated at the focal region of a cylindrical lens. This representation is based on vectorial diffraction theory and further enables the computation of the system point spread function of a cylindrical lens. It is assumed that there is no back-scattering and the contribution from the evanescent field is negligible. Stationary phase approximation along with the Fresnel transmission coefficients are employed for evaluating the polarization dependent electric field components. Studies were carried out to determine the polarization effects and to calculate the system resolution. The effect of s -, p - and randomly polarized light is studied on the fixed sample (electric dipole is fixed in space). Proposed approach allows better understanding of electric field effects at the focus of a cylindrical aplanatic system. This opens up future developments in the field of fluorescence microscopy and optical imaging. (C) 2013 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

Phonon scattering limited performance of monolayer MoS2 and WSe2 n-MOSFET

In this paper we show the effect of electron-phonon scattering on the performance of monolayer (1L) MoS2 and WSe2 channel based n-MOSFETs. Electronic properties of the channel materials are evaluated using the local density approximation (LDA) in density functional theory (DFT). For phonon dispersion we employ the small displacement / frozen phonon calculations in DFT. Thereafter using the non-equilibrium Green's function (NEGF) formalism, we study the effect of electron-phonon scattering and the contribution of various phonon modes on the performance of such devices. It is found that the performance of the WSe2 device is less impacted by phonon scattering, showing a ballisticity of 83% for 1L-WSe2 FET for channel length of 10 nm. Though 1L-MoS2 FET of similar dimension shows a lesser ballisticity of 75%. Also in the presence of scattering there exist a a 21-36% increase in the intrinsic delay time (tau) and a 10-18% reduction in peak transconductance (g(m)) for WSe2 and MoS2 devices respectively. (C) 2015 Author(s).

Transition from disc to rod-like shape of 16-3-16 dimeric micelles in aqueous solutions

Small-angle neutron scattering (SANS) measurements from bis-cationic C16H33N+(CH3)(2)-(CH2)(3)-N+ (CH3)(2)C16H33 2Br(-) dimeric surfactant, referred to as 16-3-16, at different concentrations and temperatures, are reported. It is seen that micelles are disc-like for concentrations C = 2.5 and 10 mM at temperature T = 30 degrees C. At low concentration C = 0.5 mM micelles are rod-like. Similarly, there is a disc to rod-like transition of micelles on increasing the temperature. For C = 2.5 mM, micelles are rod-like at T = 45 and 70 degrees C.

Multicarrier conduction and Boltzmann transport analysis of heavy hole mobility in HgCdTe near room temperature

Magnetotransport measurements in pulsed fields up to 15 T have been performed on mercury cadmium telluride (Hg1-xCdxTe, x similar to 0.2) bulk as well as liquid phase epitaxially grown samples to obtain the resistivity and conductivity tensors in the temperature range 220-300 K. Mobilities and densities of various carriers participating in conduction have been extracted using both conventional multicarrier fitting (MCF) and mobility spectrum analysis. The fits to experimental data, particularly at the highest magnetic fields, were substantially improved when MCF is applied to minimize errors simultaneously on both resistivity and conductivity tensors. The semiclassical Boltzmann transport equation has been solved without using adjustable parameters by incorporating the following scattering mechanisms to fit the mobility: ionized impurity, polar and nonpolar optical phonons, acoustic deformation potential, and alloy disorder. Compared to previous estimates based on the relaxation time approximation with outscattering only, polar optical scattering and ionized impurity scattering limited mobilities are shown to be larger due to the correct incorporation of the inscattering term taking into account the overlap integrals in the valence band.

Dielectric anisotropy and relaxation studies of the homologous series of N-(4-n-alkyloxy-2-hydroxy-benzylidene)-4-carbethoxyaniline

Dielectric properties of the homologous series of newly synthesized nonchiral compounds N-(4-n-alkyloxy-2-hydroxy-benzylidene)-4-carbethoxyaniline, (n = 6, 8, 10, 12) having wide temperature range (∼60°C) smectic A (SmA) phase, have been studied by the impedance spectroscopy in the frequency range of 100 Hz to 1 MHz. Measurements have been carried out for two principal alignments (planar as well as homeotropic) of the SmA phase. Dielectric anisotropy (Δε' = ε'∥ - ε'⊥) for all the members of the series has been found to be negative for the whole temperature range of SmA phase. Magnitude of the dielectric anisotropy (|Δε'|) has been found to decrease with the number of alkyl chains. Relaxation frequencies corresponding to the rotation of the individual molecules about their short axes, lie below 1 MHz and obey the Arrhenius law by which activation energies have been determined. However, the relaxation frequencies corresponding to the rotation of the molecules about their short axes apparently lie above 10 MHz.

Structure of polyamidoamide dendrimers up to limiting generations: A mesoscale description

The polyamidoamide (PAMAM) class of dendrimers was one of the first dendrimers synthesized by Tomalia and co-workers at Dow. Since its discovery the PAMAMs have stimulated many discussions on the structure and dynamics of such hyperbranched polymers. Many questions remain open because the huge conformation disorder combined with very similar local symmetries have made it difficult to characterize experimentally at the atomistic level the structure and dynamics of PAMAM dendrimers. The higher generation dendrimers have also been difficult to characterize computationally because of the large size (294852 atoms for generation 11) and the huge number of conformations. To help provide a practical means of atomistic computational studies, we have developed an atomistically informed coarse-grained description for the PAMAM dendrimer. We find that a two-bead per monomer representation retains the accuracy of atomistic simulations for predicting size and conformational complexity, while reducing the degrees of freedom by tenfold. This mesoscale description has allowed us to study the structural properties of PAMAM dendrimer up to generation 11 for time scale of up to several nanoseconds. The gross properties such as the radius of gyration compare very well with those from full atomistic simulation and with available small angle x-ray experiment and small angle neutron scattering data. The radial monomer density shows very similar behavior with those obtained from the fully atomistic simulation. Our approach to deriving the coarse-grain model is general and straightforward to apply to other classes of dendrimers.

Scaling behavior of plasmon coupling in Au and ReO3 nanoparticles incorporated in polymer matrices

Polymer nanocomposites containing different concentrations of Au nanoparticles have been investigated by small angle X-ray scattering and electronic absorption spectroscopy. The variation in the surface plasmon resonance (SPR) band of Au nanoparticles with concentration is described by a scaling law. The variation in the plasmon band of ReO3 nanoparticles embedded in polymers also follows a similar scaling law. Sistance dependence of plasmon coupling in polymer composites f metal nanoparticles. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Apsidal motion in 4U 0115+63 and orbital parameters of 2S 1417-624 and V0332+53

Be/X-ray binary pulsars have wide eccentric orbits and hence the angle of periastron of the orbit is very well defined in these sources. The presence of an X-ray pulsar allows for accurate measurements of orbital elements. A Be star usually is a rapidly rotating star and hence will deviate from spherical geometry. The tidal interaction between the neutron star and the Be star will add to the distortion of the Be star and alter its mass distribution. Thus a measurable rate of apsidal motion is expected from these systems. In this paper, we present the first conclusive detection of apsidal motion of the binary 4U 0115+63. We also present new and accurate orbital parameters of the Be/X-ray binaries V0332+53 and 2S 1417-624.

Studies on the phase transitions in thiourea

Thiourea (CS(NH2)2) is one of the few examples of molecular crystals exhibiting ferroelectric properties. The dielectric constant along the ferroelectric axis [100] shows maxima at 169, 177 and 202 K. An inflection point occurs at 170.5 KZ Following Goldsmith and White the phases are named as I (F.E. below 169 K), II (A.F.E. 169 Kand V (P.E. Above 202 K). The appearance of satellite spots in the x-ray and neutron scattering indicates the presence of structural modulation in phases 11, 111 and IV.4,5 The effect of structural modulation is to destroy the local n glide symmetry, though the overall structure is Pnma. Thiourea also exhibits thermoluminescence after being irradiated with x-rays which is accounted for by defects like NH3+ and NH- formed by the breaking of hydrogen bonds.

A numerical survey of relativistic rotating neutron star structures using the Hartle-Thorne formalism

A broad numerical survey of relativistic rotating neutron star structures was compiled using an exhaustive list of presently available equation of state models for neutron star matter. The structure parameters (spherical deformations in mass and radii, the moment of inertia and quadrupole moment, oblateness, and free precession) are calculated using the formalism proposed by Hartle and Thorne (1968). The results are discussed in relation to the relevant observational information. Binary pulsar data and X-ray burst sources provide information on the bulk properties of neutron stars, enabling the derivation of constraints that can be put on the structure of neutron stars and equation of state models.

Phenyl-Ring-Bearing Cationic Surfactants: Effect of Ring Location on the Micellar Structure

A series of isomeric cationic surfactants (S1-S5) bearing a long alkyl chain that carries a 1,4-phenylene unit and a trimethyl ammonium headgroup was synthesized; the location of the phenyl ring within the alkyl tail was varied in an effort to understand its influence on the amphiphilic properties of the surfactants. The cmc's of the surfactants were estimated using ionic conductivity measurements and isothermal calorimetric titrations (ITC); the values obtained by the two methods were found to be in excellent agreement. The ITC measurements provided additional insight into the various thermodynamic parameters associated with the micellization process. Although all five surfactants have exactly the same molecular formula, their micellar properties were seen to vary dramatically depending on the location of the phenyl ring; the cmc was seen to decrease by almost an order of magnitude when the phenyl ring was moved from the tail end (cmc of S1 is 23 mM) to the headgroup region (cmc of S5 is 3 mM). In all cases, the enthalpy of micellization was negative but the entropy of micellization was positive, suggesting that in all of these systems the formation of micelles is both enthalpically and entropically favored. As expected, the decrease in cmc values upon moving the phenyl ring from the tail end to he headgroup region is accompanied by an increase in the thermodynamic driving force (Delta G) for micellization. To understand further the differences in the micellar structure of these surfactants, small-angle neutron scattering (SANS) measurements were carried out; these measurements reveal that the aggregation number of the micelles increases as the cmc decreases. This increase in the aggregation number is also accompanied by an increase in the asphericity of the micellar aggregate and a decrease in the fractional charge. Geometric packing arguments are presented to account for these changes in aggregation behavior as a function of phenyl ring location.

Mean-field results of the multiple-band extended Hubbard model for the square-planar CuO2 lattice

We obtain metal-insulator phase diagrams at half-filling for the five-band extended Hubbard model of the square-planar CuO2 lattice treated within a Hartree-Fock mean-field approximation, allowing for spiral spin-density waves. We indicate the existence of an insulating phase (covalent insulator) characterized by strong covalency effects, not identified in the earlier Zaanen-Sawatzky-Allen phase diagram. While the insulating phase is always antiferromagnetic, we also obtain an antiferromagnetic metallic phase for a certain range of interaction parameters. Performing a nonperturbative calculation of J(eff), the in-plane antiferromagnetic interaction is presented as a function of the parameters in the model. We also calculate the band gap and magnetic moments at various sites and discuss critically the contrasting interpretation of the electronic structure of high-T(c) materials arising from photoemission and neutron-scattering experiments.