Jahn-Teller distortion in polyoligomeric silsesquioxane (POSS) cations.

We investigated the symmetry breaking mechanism in cubic octa-tert-butyl silsesquioxane and octachloro silsesquioxane monocations (Si8O12(C(CH3)3)8(+) and Si8O12Cl8(+)) using density functional theory (DFT) and group theory. Under Oh symmetry, these ions possess (2)T2g and (2)Eg electronic states and undergo different symmetry breaking mechanisms. The ground states of Si8O12(C(CH3)3)8(+) and Si8O12Cl8(+) belong to the C3v and D4h point groups and are characterized by Jahn-Teller stabilization energies of 3959 and 1328 cm(-1), respectively, at the B3LYP/def2-SVP level of theory.

A comparative study between the dynamic method and passive can technique of radon exhalation measurements from samples.

A comparative study has been carried out between the SSNTD based 'can' technique and active monitors based dynamic method using nine different samples, eight of granite and one of phosphogypsum. Besides radon ((222)Rn) exhalation, thoron((220)Rn) exhalation and (226)Ra and (232)Th content were also measured. The results are: (i) presence of significant thoron exhalation from samples and (ii) observation of thoron interference and leak (~0.

Quantification of oxide particle composition in model oxide dispersion strengthened steel alloys.

Oxide dispersion strengthened ferritic steels (ODS) are being considered for structural components of future designs of fission and fusion reactors because of their impressive high-temperature mechanical properties and resistance to radiation damage, both of which arise from the nanoscale oxide particles they contain. Because of the critical importance of these nanoscale phases, significant research activity has been dedicated to analysing their precise size, shape and composition (Odette et al., Annu.

Effect of hydrophilic silica nanoparticles on the magnetorheological properties of ferrofluids: a study using opto-magnetorheometer.

For many technological applications of ferrofluids, the magnetorheological properties require being precisely controlled. We study the effect of hydrophilic silica on the magnetorheology of an oil-based ferrofluid containing Fe3O4 nanoparticles of size ∼10 nm. We observe that the presence of silica nanoparticles lowers the yield stresses, viscoelastic moduli, and shear thinning behavior of the ferrofluid because of the weakening of dipolar interactions, which was evident from the observed lower yield stresses exponent (<2).

Level monitoring system with pulsating sensor--application to online level monitoring of dashpots in a fast breeder reactor.

An innovative continuous type liquid level monitoring system constructed by using a new class of sensor, viz., pulsating sensor, is presented. This device is of industrial grade and it is exclusively used for level monitoring of any non conducting liquid.

Structural investigations in BaFe(2-x)Ru(x)As2 as a function of Ru and temperature.

We present the results of synchrotron X-ray diffraction (XRD) measurements on powdered single-crystal samples of BaFe(2-x)Ru(x)As2, as a function of Ru content, and as a function of temperature, across the spin-density wave transition in BaFe(1.9)Ru(0.1)As2.

Groundwater nitrate contamination and use of Cl/Br ratio for source appointment.

Source appointment for groundwater nitrate contamination is critical in prioritizing effective strategy for its mitigation. Here, we assessed the use of Cl/Br ratio and statistical correlation of hydro-chemical parameters to identify the nitrate source to the groundwater. A total of 228 samples from 19 domestic wells distributed throughout the study area were collected during June 2011-May 2012 and analyzed for various physicochemical parameters.

Numerical simulation of the transport of a radionuclide chain in a rock medium.

For the safe disposal of High Level Waste (HLW), a common practice is to bury the sealed container called canister containing the concentrated and vitrified waste deep inside the earth surface within a rocky medium. In the event of an accidental breach of such a canister, the sealed waste may come in contact of pore water. If this happens, then the parent nuclides present in the HLW and their daughters generated by the radioactive decay reaction start migrating through the surrounding rock medium due to the combined effect of advection and diffusion.

Conformations of n-butyl imidazole: matrix isolation infrared and DFT studies.

Conformations of n-butyl imidazole (B-IMID) were studied using matrix isolation infrared spectroscopy by trapping in argon, xenon and nitrogen matrixes using an effusive nozzle source. The experimental studies were supported by DFT computations performed at the B3LYP/6-311++G(d,p) level. Computations identified nine unique minima for B-IMID, corresponding to conformers with tg(±)tt, tg(±)g(∓)t, tg(±)g(±)t, tg(±)tg(±), tg(±)tg(∓), tg(±)g(∓)g(∓), tg(±)g(±)g(±), tg(±)g(∓)g(±) and tg(±)g(±)g(∓) structures, given in order of increasing energy.

Development of a semi-adiabatic isoperibol solution calorimeter.

A semi-adiabatic isoperibol solution calorimeter has been indigenously developed. The measurement system comprises modules for sensitive temperature measurement probe, signal processing, data collection, and joule calibration. The sensitivity of the temperature measurement module was enhanced by using a sensitive thermistor coupled with a lock-in amplifier based signal processor.

Ligand sensitized luminescence of uranyl by benzoic acid in acetonitrile medium: a new luminescent uranyl benzoate specie.

Benzoic acid (BA) is shown to sensitize and enhance the luminescence of uranyl ion in acetonitrile medium. Luminescence spectra and especially UV-Vis spectroscopy studies reveal the formation of tri benzoate complex of uranyl i.e.

Ensemble Empirical Mode Decomposition based methodology for ultrasonic testing of coarse grain austenitic stainless steels.

A signal processing methodology is proposed in this paper for effective reconstruction of ultrasonic signals in coarse grained high scattering austenitic stainless steel. The proposed methodology is comprised of the Ensemble Empirical Mode Decomposition (EEMD) processing of ultrasonic signals and application of signal minimisation algorithm on selected Intrinsic Mode Functions (IMFs) obtained by EEMD. The methodology is applied to ultrasonic signals obtained from austenitic stainless steel specimens of different grain size, with and without defects.

Gamma radiation induced cell cycle perturbations and DNA damage in Catla Catla as measured by flow cytometry.

Gamma radiation induced cell cycle perturbations and DNA damage in Catla catla were analyzed in erythrocytes at different time points using flow cytometry (FCM). Protracted exposure to radiation induced damage between days 12 and 45. Disturbances in cell cycle machinery, i.

Assessment of natural radioactivity and function of minerals in soils of Yelagiri hills, Tamilnadu, India by Gamma Ray spectroscopic and Fourier Transform Infrared (FTIR) techniques with statistical approach.

Gamma Ray and Fourier Transform Infrared (FTIR) spectroscopic techniques were used to evaluate the natural radioactivity due to natural radionuclides and mineralogical characterization in soils of Yelagiri hills, Tamilnadu, India. Various radiological parameters were calculated to assess the radiation hazards associated with the soil. The distribution pattern of activity due to natural radionuclides is explained by Kriging method of mapping.

Estimation of martensite feature size in a low-carbon alloy steel by microtexture analysis of boundaries.

A methodology for classifying the hierarchy of martensite boundaries from the EBSD microtexture data of low-carbon steel is presented. Quaternion algebra has been used to calculate the ideal misorientation between product α variants for Kurdjumov-Sachs (KS) and its nearby orientation relationships, and arrive at the misorientation angle-axis set corresponding to packet (12 types), block (3 types) and sub-block boundaries. Analysis of proximity of experimental misorientation between data points from the theoretical misorientation set is found to be useful for identifying the different types of martensite boundaries.

Diglycolamic acid modified silica gel for the separation of hazardous trivalent metal ions from aqueous solution.

The surface of the silica gel was modified with diglycolamic acid moieties and the product (Si-DGAH) was characterized by elemental analysis, TG-DTA, (1)H and (29)Si NMR and scanning electron microscopy (SEM). The adsorption behavior of hazardous americium (III) and europium (III) in Si-DGAH was studied from aqueous nitric acid medium to examine the feasibility using the modified silica for the separation of Am(III) and Eu(III) from aqueous wastes. In this context, the effect of various parameters such as the duration of equilibration, and concentrations of europium, nitric acid, sodium nitrate and diethylenetriaminepentaacetic acid (DTPA) in aqueous phase, on the distribution coefficient (K(d)) of Am(III) and Eu(III) was investigated.

Note: theoretical study on the gas pressure dependence of x-ray yield in TE(111) cavity based electron cyclotron resonance x-ray source.

Adopting Langevin methodology, a pressure dependent frictional force term which represents the collisional effect is added to the Lorentz equation. The electrons are assumed to be starting from the uniformly distributed co-ordinates on the central plane. The trajectory of each electron is numerically simulated by solving the modified Lorentz equation for a given pressure.

Evaluation of the nanostructure of cervical third cementum in health and chronic periodontitis: An in vitro study.

Background: During the progression of periodontal disease, the cementum undergoes alterations in its structure and composition. Understanding the nanostructure of cementum, in terms of its mechanical properties, will provide an insight into the milieu that periodontal ligament cells encounter in health and chronic periodontitis. This study aims to analyze the nanomechanical properties of the cervical third of the cementum (transverse section) in health and chronic periodontitis.

Comparison of two anthropomorphic phantoms as a calibration tool for whole-body counter using Monte Carlo simulations.

The whole-body counting facility at the Indira Gandhi Centre for Atomic Research uses an in-house built Masonite cut-sheet phantom for the calibration of whole-body monitors. Recently, an Indian Adult BOMAB phantom was procured as an additional utility to augment the facility. The present study is to generate full-energy peak efficiencies (FEPE) of the shielded chair (SC) whole-body counting system using the new BOMAB phantom through Monte Carlo (MC) simulations.

Cytogenotoxicity assessment of monocrotophos and butachlor at single and combined chronic exposures in the fish Catla catla (Hamilton).

Cytogenotoxic effects in the form of micronuclei and deformed nucleus, nuclear buds, binucleated cells, vacuolated nucleus, vacuolated cytoplasm, echinocytes, and enucleus induced by two compounds belonging to two different chemical classes of agrochemicals (monocrotophos and butachlor) at sublethal concentrations (0.625, 1.3, and 2.

Magnetorheological properties of a magnetic nanofluid with dispersed carbon nanotubes.

We investigate the effect of multiwalled carbon nanotubes (MWCNTs) on the magnetorheological properties of an oil based magnetic nanofluid (ferrofluid). The shear resistant plateau observed in a pure ferrofluid disappears when 0.5 wt% of MWCNT is incorporated.

Thermochemical investigations in the system Cd-Gd.

Vapour pressure measurements were performed in terms of a non-isothermal isopiestic method to determine vapour pressures of Cd in the system Cd-Gd between 693 and 1045 K. From these results thermodynamic activities of Cd were derived as a function of temperature for the composition range 52-86 at.% Cd.

Probing of field-induced structures and their dynamics in ferrofluids using oscillatory rheology.

We probe field-induced structures and their dynamics in ferrofluids using oscillatory rheology. The magnetic field dependence of the relaxation time and crossover modulus showed two distinct regions, indicating the different microstructures in those regions. The observed relaxation at various magnetic field strengths indicates that side chains are attached to the pinned single-sphere-width chains between the rheometer plates.

Multivariate statistical analysis of heavy metal concentration in soils of Yelagiri Hills, Tamilnadu, India--spectroscopical approach.

Anthropogenic activities increase the accumulation of heavy metals in the soil environment. Soil pollution significantly reduces environmental quality and affects the human health. In the present study soil samples were collected at different locations of Yelagiri Hills, Tamilnadu, India for heavy metal analysis.

Growth and characterization of organic material 4-dimethylaminobenzaldehyde single crystal.

The organic material 4-dimethylaminobenzaldehyde single crystals were grown by slow evaporation technique. The grown crystal was confirmed by the single crystal and powder X-ray diffraction analyses. The functional groups of the crystal have been identified from the Fourier Transform Infrared (FTIR) and FT-Raman studies.