Kinetics of carbon monoxide oxidation with Sn(0.95)M(0.05)O(2-delta) (M = Cu, Fe, Mn, Co) catalysts

Base metal substituted Sn(0.95)M(0.05)O(2-delta) (M = Cu, Fe, Mn, Co) catalysts were synthesized by the solution combustion method and characterized by XRD, XPS, TEM and BET surface area analysis. The catalytic activities of these materials were investigated by performing CO oxidation. The rates and the apparent activation energies of the reaction for CO oxidation were determined for each catalyst. All the substituted catalysts showed high rates and lower activation energies for the oxidation of CO as compared to unsubstituted SnO(2). The rate was found to be much higher over copper substituted SnO(2) as compared to other studied catalysts. 100% CO conversion was obtained below 225 degrees C over this catalyst. A bifunctional reaction mechanism was developed that accounts for CO adsorption on base metal and support ions and O(2) dissociation on the oxide ion vacancy. The kinetic parameters were determined by fitting the model to the experimental data. The high rates of the CO oxidation reactions at low temperatures were rationalized by the high dissociative chemisorption of adsorbed O(2) over these catalysts.

Perovskite phase transformation in 0.65Pb(Mg1/3Nb2/3)O-3-0.35PbTiO(3) nanoparticles derived by sol-gel

Fabrication of 0.65Pb(Mg1/3Nb2./3)O-3-0.35PbTiO(3) (PMN-PT) nanoparticles with an average size of about 40 nm and their phase transformation behavior from pyrochlore to perovskite phase is investigated. A novel sol-gel method was used for the synthesis of air-stable and precipitate-free diol-based sol of PMN-PT which was dried and partially calcined at 450 degrees C for 1 h to decompose organics and bring down the free energy barrier for perovskite crystallization and then finally annealed in the temperature range 600 to 700 degrees C. Annealed at around 700 degrees C for 1 h, PMN-PT gel powder exhibited nanocrystalline morphology with perovskite phase as confirmed by the transmission electron microscopy and X-ray diffraction techniques. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3677974]

Fragment Finder 2.0: a computing server to identify structurally similar fragments

Fragment Finder 2.0 is a web-based interactive computing server which can be used to retrieve structurally similar protein fragments from 25 and 90% nonredundant data sets. The computing server identifies structurally similar fragments using the protein backbone C alpha angles. In addition, the identified fragments can be superimposed using either of the two structural superposition programs, STAMP and PROFIT, provided in the server. The freely available Java plug-in Jmol has been interfaced with the server for the visualization of the query and superposed fragments. The server is the updated version of a previously developed search engine and employs an in-house-developed fast pattern matching algorithm. This server can be accessed freely over the World Wide Web through the URL http://cluster.physics.iisc.ernet.in/ff/.

Tuning of phonon anharmonicity in pyrochlore titanates: temperature-dependent Raman studies of Sm2Ti2-xZrxO7 (x=0, 1/2, 3/4, and 2)and stuffed spin-ice Ho2+xTi2-xO7-x/2 (x=0, 1/3, and 2/3)

Anomalous temperature dependence of Raman phonon wavenumbers attributed to phononphonon anharmonic interactions has been studied in two different families of pyrochlore titanates. We bring out the role of the ionic size of titanium and the inherent vacancies of pyrochlore in these anomalies by studying the effect of replacement of Ti4?+ by Zr4?+ in Sm2Ti2O7 and by stuffing Ho3?+ in place of Ti4?+ in Ho2Ti2O7 with appropriate oxygen stoichiometry. Our results show that an increase in the concentration of the larger ion, i.e. Zr4?+ or Ho3?+, reduces the phonon anomalies, thus implying a decrease in the phononphonon anharmonic interactions. In addition, we find signatures of coupling between a phonon and crystal field transition in Sm2Ti2O7, manifested as an unusual increase in the phonon intensity with increasing temperature. Copyright (c) 2011 John Wiley & Sons, Ltd.

Studies on Field Dependent Domain Structures in Multi-Grained 0.85PbMg(1/3)Nb(2/3)O3-0.15PbTiO(3) Thin Films by Scanning Force Microscopy

0.85PbMg(1/3)Nb(2/3)O(3)-0.15PbTiO(3) (0.85PMN-0.15PT) ferroelectric relaxor thin films have been deposited on La0.5Sr0.5CoO3/(111) Pt/TiO2/SiO2/Si by pulsed laser ablation by varying the oxygen partial pressures from 50 mTorr to 400 mTorr. The X-ray diffraction pattern reveals a pyrochlore free polycrystalline film. The grain morphology of the deposited films was studied using scanning electron microscopy and was found to be affected by oxygen pressure. By employing dynamic contact-electrostatic force microscopy we found that the distribution of polar nanoregions is majorly affected by oxygen pressure. Finally, the electric field induced switching in these films is discussed in terms of domain wall pinning.

Synthesis dependent characteristics of Sr1-xMnxTiO3 (x=0.03, 0.05, 0.07 and 0.09)

Sr1-xMnxTiO3 (where x=0.03, 0.05, 0.07 and 0.09) was synthesized via different routes that include solid-state, oxalate precipitation and freeze drying. In oxalate precipitation technique, compositions corresponding to 3 and 5 mol% doping of Mn were monophasic whereas the higher compositions revealed the presence of the secondary phases such as MnO, Mn3O4 etc., as confirmed by high resolution X-ray diffraction (XRD) studies. The decomposition behavior of the precursors prepared using oxalate precipitation method corresponding to the above mentioned compositions was studied. Nanopowders of compositions pertaining to 5 to 9 mol% of Mn doping were obtained using freeze-drying technique. The average crystallite size of these nanopowders was found to be in the 35 to 65 nm range. The microstructural studies carried out on the sintered ceramics, fabricated using powders synthesized by different routes established the fine grained nature ( < 1 mu m) of the one obtained by freeze drying method. Raman scattering studies were carried out in order to complement the observations made from XRD regarding the phase purity. The dielectric properties of the ceramics obtained by different synthesis routes were studied in the 80-300 K temperature range at 100 kHz and the effect of grain size has been discussed. (C) 2012 Elsevier Inc. All rights reserved.

Comments on ``Effects of current density on the formation and microstructure of Sn-9Zn, Sn-8Zn-3Bi and Sn-3Ag-0.5Cu solder joints''

Othman et al. (Intermetallics 2012;22:1-6) recently published a manuscript on ``Effects of current density on the formation and microstructure of Sn-9Zn, Sn-8Zn-3Bi and Sn-3Ag-0.5Cu solder joints''. We found problems in calculation of diffusion parameters. Even the comment on the formation of Cu5Zn8 instead of Cu6Sn5 is not correct. In this comment, we have explained the correct procedure to calculate the diffusion coefficients. Further, we have also explained the reason for the formation of Cu5Zn8 instead of Cu6Sn5 in the Cu/Sn-9Zn system. (C) 2012 Elsevier Ltd. All rights reserved.

Ferrimagnetism, antiferromagnetism, and magnetic frustration in La2-xSrxCuRuO6 (0 <= x <= 1)

We studied structural and magnetic properties of a series of insulating double perovskite compounds, La2-xSrxCuRuO6 (0 <= x <= 1), representing doping via A-site substitution. The end members La2CuRuO6 and LaSrCuRuO6 form in monoclinic structure while the intermediate Sr doped compounds stabilize in triclinic structure. The Cu and Ru ions sit on alternate B sites of the perovskite lattice with similar to 15% antisite defects in the undoped sample while the Sr-doped samples show a tendency to higher ordering at B sites. The undoped (x = 0) compound shows a ferrimagnetic-like behavior at low temperatures. In surprising contrast to the usual expectation of an enhancement of ferromagnetic interaction on doping, an antiferromagnetic-like ground state is realized for all doped samples (x > 0). Heat capacity measurements indicate the absence of any long-range magnetic order in any of these compounds. The magnetic relaxation and memory effects observed in all compounds suggest glassy dynamical properties associated with magnetic disorder and frustration. We show that the observed magnetic properties are dominated by the competition between the nearest-neighbor Ru-O-Cu 180 degrees superexchange interaction and the next-nearest-neighbor Ru-O-O-Ru 90 degrees superexchange interaction as well as by the formation of antisite defects with interchanged Cu and Ru positions. Our calculated exchange interaction parameters from first principles calculations for x = 0 and x = 1 support this interpretation.

Performance of telecommunication modules to 0.5µS-100kHz ring wave surges

This paper presents an experimental investigations performed on various electronic components used in telecommunication networks and those used in avionics for the ring wave surge voltages. IEEE Std C 62.41.1-2002 specifies a stringent requirement of waveforms to be applied for the evaluation of telecom components. To meet the necessary requirements in the absence of commercial equipment for generating the required waveforms, special efforts were made to fabricate a ring wave surge generator as per prescribed standards. The developed surge generator is capable of delivering an output of 0.5 mu s-100kHz which meets the requirements of telecom standards prescribed for evaluation of various modules used in low voltage ac power circuits used in communication networks. The results of the experimental investigations obtained on various modules used in communication networks are presented.

The influence of temperature and strain rate on the deformation response and microstructural evolution during hot compression of a titanium alloy Ti-6Al-4V-0.1B

Hot deformation behavior of a hypoeutectic Ti-6Al-4V-0.1B alloy in (alpha + beta) phase field is investigated in the present study with special reference to flow response, kinetics and microstructural evolution. For a comparison, the base alloy Ti-6Al-4V was also studied under identical conditions. Dynamic recovery of alpha phase occurs at low temperatures while softening due to globularization and/or dynamic recrystallization dominates at high temperatures irrespective of boron addition. Microstructural features for both the alloys display bending and kinking of alpha lamellae for near alpha test temperatures. Unlike Ti-6Al-4V, no sign of instability formation was observed in Ti-6Al-4V-0.1B for any deformation condition except for cavitation around TiB particles, due to deformation incompatibility and strain accumulation at the particle-matrix interface. The absence of macroscopic instabilities and early initiation of softening mechanisms as a result of boron addition has been attributed to microstructural features (e.g. refined prior beta grain and alpha colony size, absence of grain boundary alpha layer, presence of TiB particles at prior beta boundaries, etc.) of the respective alloys prior to deformation. (C) 2012 Elsevier B.V. All rights reserved.

Activation of Lattice Oxygen of TiO2 by Pd2+ Ion: Correlation of Low-Temperature CO and Hydrocarbon Oxidation with Structure of Ti1-xPdxO2-x (x=0.01-0.03)

Lattice oxygen of TiO2 is activated by the substitution of Pd ion in its lattice. Ti1-xPdxO2-x (x = 0.01-0.03) have been synthesized by solution combustion method crystallizing in anatase TiO2 structure. Pd is in +2 oxidation state and Ti is in +4 oxidation state in the catalyst. Pd is more ionic in TiO2 lattice compared to Pd in PdO. Oxygen storage capacity defined by ``amount of oxygen that is used reversibly to oxidize CO'' is as high as 5100 mu mol/g of Ti0.97Pd0.03O1.97. Oxygen is extracted by CO to CO2 in absence of feed oxygen even at room temperature which is more than 20 times compared to pure TiO2. Rate of CO oxidation is 2.75 mu mol g(-1) s(-1) at 60 degrees C over Ti0.97Pd0.03O1.97 and C2H2 gets oxidized to CO2 and H2O at room temperature. Catalyst is not poisoned on long time operation of the reactor. Such high catalytic activity is due to activated lattice oxygen created by the substitution of Pd ion as seen from first-principles density functional theory (DFT) calculations with 96 atom supercells of Ti32O64, Ti31Pd1O63, Ti30Pd2O62, and Ti29Pd3O61. The compounds crystallize in anatase TiO2 structure with Pd2+ ion in nearly square planar geometry and TiO6 octahedra are distorted by the creation of weakly bound oxygens. Structural analysis of Ti31Pd1O63 which is close to 3% Pd ion substituted TiO2 shows that oxygens associated with both Ti and Pd ions in the lattice show bond valence sum of 1.87, a low value characteristic of weak oxygen in the lattice compared to oxygens with valence 2 and above in the same lattice. Exact positions of activated oxygens have been identified in the lattice from DFT calculations.

A low-noise low-power noise-adaptive neural amplifier in 0.13um CMOS technology

Chronic recording of neural signals is indispensable in designing efficient brain machine interfaces and in elucidating human neurophysiology. The advent of multichannel microelectrode arrays has driven the need for electronics to record neural signals from many neurons. The dynamic range of the system is limited by background system noise which varies over time. We propose a neural amplifier in UMC 130 nm, 2P8M CMOS technology. It can be biased adaptively from 200 nA to 2 uA, modulating input referred noise from 9.92 uV to 3.9 uV. We also describe a low noise design technique which minimizes the noise contribution of the load circuitry. The amplifier can pass signal from 5 Hz to 7 kHz while rejecting input DC offsets at electrode-electrolyte interface. The bandwidth of the amplifier can be tuned by the pseudo-resistor for selectively recording low field potentials (LFP) or extra cellular action potentials (EAP). The amplifier achieves a mid-band voltage gain of 37 dB and minimizes the attenuation of the signal from neuron to the gate of the input transistor. It is used in fully differential configuration to reject noise of bias circuitry and to achieve high PSRR.

A fully discrete C-0 interior penalty Galerkin approximation of the extended Fisher-Kolmogorov equation

A fully discrete C-0 interior penalty finite element method is proposed and analyzed for the Extended Fisher-Kolmogorov (EFK) equation u(t) + gamma Delta(2)u - Delta u + u(3) - u = 0 with appropriate initial and boundary conditions, where gamma is a positive constant. We derive a regularity estimate for the solution u of the EFK equation that is explicit in gamma and as a consequence we derive a priori error estimates that are robust in gamma. (C) 2013 Elsevier B.V. All rights reserved.

The effect of minor addition of Ni on the microstructural evolution and mechanical properties of suction cast Al-0.14 at. pct Sc binary alloy

Aluminum scandium binary alloys represent a promising precipitation-hardening alloy system. However, the hardness of the binary alloys decreases with the rapid coarsening of Al3Sc precipitate during high-temperature aging. In the current study, we report a new approach to compensate for the loss of mechanical properties by combining rapid solidification with very small ternary addition of transition metal Ni. This addition yields dispersion, and at a critical concentration improves the mechanical properties. We explore additions of a maximum of 0.06 at. pct of Nickel to a binary Al-0.14 at. pct Sc alloy, which yield nickel-rich dispersions. We report two kinds of biphasic dispersions containing AlNi2Sc/Al9Ni2 and alpha-Al/Al9Ni2 phase combinations. The maximum improvement in mechanical properties occurs with the addition of 0.045 at. pct Ni with a yield strength of 239 +/- A 7 MPa for an aging treatment at 583 K (310 A degrees C) for 15 hours. DOI: 10.1007/s11661-013-1624-z (C) The Minerals, Metals & Materials Society and ASM International 2013

Effect of crystallite size and clustering in influencing the stability of phases of a very large tetragonality ferroelectric system 0.6BiFeO(3)-0.4PbTiO(3)

The role of crystallite size and clustering in influencing the stability of the structures of a large tetragonality ferroelectric system 0.6BiFeO(3)-0.4PbTiO(3) was investigated. The system exhibits cubic phase for a crystallite size similar to 25 nm, three times larger than the critical size reported for one of its end member PbTiO3. With increased degree of clustering for the same average crystallite size, partial stabilization of the ferroelectric tetragonal phase takes place. The results suggest that clustering helps in reducing the depolarization energy without the need for increasing the crystallite size of free particles.