An open source massively parallel solver for Richards equation: Mechanistic modelling of water fluxes at the watershed scale

In this paper we present a massively parallel open source solver for Richards equation, named the RichardsFOAM solver. This solver has been developed in the framework of the open source generalist computational fluid dynamics tool box OpenFOAM (R) and is capable to deal with large scale problems in both space and time. The source code for RichardsFOAM may be downloaded from the CPC program library website. It exhibits good parallel performances (up to similar to 90% parallel efficiency with 1024 processors both in strong and weak scaling), and the conditions required for obtaining such performances are analysed and discussed. These performances enable the mechanistic modelling of water fluxes at the scale of experimental watersheds (up to few square kilometres of surface area), and on time scales of decades to a century. Such a solver can be useful in various applications, such as environmental engineering for long term transport of pollutants in soils, water engineering for assessing the impact of land settlement on water resources, or in the study of weathering processes on the watersheds. (C) 2014 Elsevier B.V. All rights reserved.

Synthesis and Electron Microscopy of Superalloy Nanowires

An electrodeposition based methodology for synthesizing Ni-Cr-Fe nanowires is provided. As-synthesized nanowires were 200 nm in diameter and more than 5 mu m in length. Detailed characterization of the nanowires using electron microscopy technique revealed an amorphous microstructure for the nanowires with uniform distribution of Ni, Fe and Cr atoms. Annealing of the nanowire using the electron beam inside electron microscope resulted in gradual crystallization of amorphous microstructure into a nanocrystalline one which illustrated the potential for microstructural engineering of the nanowires. (C) 2014 The Electrochemical Society. All rights reserved.

Effect of grain boundary engineering on the microstructure and mechanical properties of copper containing austenitic stainless steel

The present investigation deals with grain boundary engineering of a modified austenitic stainless steel to obtain a material with enhanced properties. Three types of processing that are generally in agreement with the principles of grain boundary engineering were carried out. The parameters for each of the processing routes were fine-tuned and optimized. The as-processed samples were characterized for microstructure and texture. The influence of processing on properties was estimated by evaluating the room temperature mechanical properties through micro-tensile tests. It was possible to obtain remarkably high fractions of CSL boundaries in certain samples. The results of the micro-tensile tests indicate that the grain boundary engineered samples exhibited higher ductility than the conventionally processed samples. The investigation provides a detailed account of the approach to be adopted for GBE processing of this grade of steel. (C) 2014 Elsevier B.V. All rights reserved.

Photochemical Deposition of Co-Ac Catalyst on ZnO Nanorods for Solar Water Oxidation

The preparation of ZnO nanorod films decorated with cobalt-acetate (CoAc) electrocatalyst and its activity for photoelectrolysis of water have been demonstrated. The photochemically prepared CoAc catalyst is chemically and morphologically similar to the electrochemically prepared CoAc catalyst. The on-set potential of oxygen evolution reaction is lower on CoAc-ZnO photoanode in relation to bare ZnO photoanode. There is a three to four fold increase in photooxidation current of OER due to the presence of CoAc co-catalyst on ZnO. Thus, the photochemically prepared CoAc on ZnO is an alternative and efficient co-catalyst for photoelectrochemical oxygen evolution reaction. The enhancement in photocatalytic activity of ZnO by the CoAc catalyst photochemically deposited from acetate buffer solution is significantly greater than the cobalt-phosphate (CoPi) co-catalyst deposited from phosphate buffer solution. (C) The Author(s) 2015. Published by ECS. All rights reserved.

A Na/MnO2 Primary Cell Employing Poorly Crystalline MnO2

Presently Li/MnO2 is one of the widely used primary battery for a variety of applications. As the global resources for Na are plentiful in relation to those for Li, Na/MnO2 primary battery is expected to be an economical, viable alternate to Li/MnO2 system. But marginal inferior properties of Na/MnO2, which arise due to the differences in properties between Li and Na, are inevitable. In the present work, Na/MnO2 and Li/MnO2 laboratory scale primary cells in non-aquebus electrolytes are assembled and their electrochemical properties are studied in similar experimental conditions. The MnO2 used for these studies is prepared from KMnO4 and it is in amorphous state. The discharge behavior of Na/MnO2 cell is similar to that of Li/MnO2 cell, but with nominal voltage less by about 0.35 V, as expected. The specific capacity of amorphous MnO2 is 300 mAh g(-1) in both Na/MnO2 and Li/MnO2 cells. On heating the as prepared amorphous MnO2 at temperature range 300-800 degrees C, it converts to crystalline ct-MnO2. The capacity of crystalline MnO2 is significantly less than the amorphous MnO2. The results suggest that Na/MnO2 is a viable, economical alternate to Li/MnO2 primary cell. (C) The Author(s) 2015. Published by ECS. All rights reserved.

Simultaneous Determination of Catecholamines in Presence of Uric Acid and Ascorbic Acid at a Highly Sensitive Electrochemically Activated Carbon Paste Electrode

A simple yet remarkable, electrochemically activated carbon paste electrode (EACPE) was prepared by successive potential cycling of carbon paste in a 0.1 M NaOH solution and was effectively used for the simultaneous determination of catecholamines such as dopamine (DA), epinephrine (E) and Norepinephrine (NE) in presence of uric acid (UA) and ascorbic acid (AA). Taking DA as the ideal catecholamine, the electrochemical behaviors of DA, UA and AA such as scan rate and pH variation was studied by cyclic voltammetry (CV) in phosphate buffer solution (PBS, pH 7.1). This electrochemical sensor exhibited strong electrocatalytic activity towards the oxidation of a mixture of catecholamines, UA and AA with apparent reduction of overpotentials. Crider optimum conditions, limit of detection (S/N = 3) of DA, E, NE, UA and AA was found to be 0.08, 0.08, 0.07, 0.1 and 6.0 mu M, respectively by differential pulse voltammetry (DPV). The analytical performance of this modified electrode as a biosensor was also demonstrated for the determination of DA, UA and AA in dopamine injection, human urine and vitamin C tablets, respectively, in presence of other interfering substances. (C) 2015 The Electrochemical Society. All-rights reserved.

Symmetric Supercapacitor Based on Reduced Graphene Oxide in Non-Aqueous Electrolyte

Reduced graphene oxide (RGO) is prepared by thermal exfoliation of graphite oxide in air. Symmetric RGO/RGO supercapacitors are constructed in a non-aqueous electrolyte and characterized. The values of energy density are 44 Wh kg(-1) and 15 Wh kg(-1), respectively at 0.15 and 8.0 kW kg(-1). The symmetric supercapacitor exhibits stable charge/discharge cycling tested up to 3000 cycles. The low-temperature thermal exfoliation approach is convenient for mass production of RGO at low cost and it can be used as electrode material for energy storage applications. (c) The Author(s) 2015. Published by ECS. All rights reserved.

Stable isotopic signature of Southern Ocean deep water CO2 ventilation

The link between atmospheric CO2 level and ventilation state of the deep ocean is poorly understood due to the lack of coherent observations on the partitioning of carbon between atmosphere and ocean. In this Southern Ocean study, we have classified the Southern Ocean into different zones based on its hydrological features and have binned the variability in latitudinal air-CO2 concentration and its isotopic ratios. Together with air-CO2, we analysed the surface water for the isotopic ratios in dissolved inorganic carbon (DIC). Using the binary mixing approach on the isotopic ratio of atmospheric CO2 and its concentration, we identified the delta C-13 value of source CO2. The isotopic composition of source CO2 was around -9.22 +/- 0.26 parts per thousand for the year 2011 and 2012, while a composition of -13.49 +/- 4.07 parts per thousand was registered for the year 2013. We used the delta C-13 of DIC to predict the CO2 composition in air under equilibrium and compared our estimates with actual observations. We suggest that the degeneration of the DIC in presence of warm water in the region was the factor responsible for adding the CO2 to the atmosphere above. The place of observation coincides with the zone of high wind speed which promotes the process of CO2 exsolution from sea water. (C) 2015 Elsevier Ltd. All rights reserved.

Modeling of Effect of Nucleation Rate and Electrodes' Resistance on Discharge Characteristics of Lead-Acid Batteries

Classical models are not successful in describing discharge characteristics of a lead-acid battery when the current density is varied over a wide range. A model is developed in this work to overcome this lacuna by introducing into the standard models two mechanisms that have not been used earlier. Lead sulfate particles nucleate and grow on active materials of electrodes during discharge, resulting in coverage of active area. Increasing rate of discharge builds supersaturation of lead sulfate rapidly, and causes increased extents of nucleation and coverage. Electrodes behave almost like an insulator due to deposition of lead sulfate when active materials are converted to a critical extent, and this can stop discharge process. Influence of this mechanism is also rate dependent. The new model developed is tested against data on polarization behavior, and capacity drawn as a function of current. The model successfully predicts both polarization curves and Peukert behavior. The model is used to predict charge that can be drawn at a current after partial discharge at a different current. Model suggests that altering nucleation behavior can be useful in enhancing capacity available for discharge. (C) 2015 The Electrochemical Society.

Synthesizing Racy Tests

Subtle concurrency errors in multithreaded libraries that arise because of incorrect or inadequate synchronization are often difficult to pinpoint precisely using only static techniques. On the other hand, the effectiveness of dynamic race detectors is critically dependent on multithreaded test suites whose execution can be used to identify and trigger races. Usually, such multithreaded tests need to invoke a specific combination of methods with objects involved in the invocations being shared appropriately to expose a race. Without a priori knowledge of the race, construction of such tests can be challenging. In this paper, we present a lightweight and scalable technique for synthesizing precisely these kinds of tests. Given a multithreaded library and a sequential test suite, we describe a fully automated analysis that examines sequential execution traces, and produces as its output a concurrent client program that drives shared objects via library method calls to states conducive for triggering a race. Experimental results on a variety of well-tested Java libraries yield 101 synthesized multithreaded tests in less than four minutes. Analyzing the execution of these tests using an off-the-shelf race detector reveals 187 harmful races, including several previously unreported ones.

In Situ Crystallographic Probing on Ameliorating Effect of Sulfide Additives and Carbon Grafting in Iron Electrodes

Beneficial effects of carbon grafting into the iron active material for rechargeable alkaline-iron-electrodes with and without Bi2S3 additive is probed by in situ X-ray diffraction in conjunction with Extended X-ray Absorption Fine Structure (EXAFS) and electrochemistry. EXAFS data unravel that the composition of pristine active material (PAM) for iron electrodes comprises 87% of magnetite and 13% of alpha-iron while carbon-grafted active material comprises 60% of magnetite and 40% of alpha-iron. In situ XRD patterns are recorded using a specially designed electrochemical cell. XRD data reflect that magnetite present in PAM iron electrode, without bismuth sulfide additive, is not reduced during charging while PAM iron electrode with bismuth sulfide additive is partially reduced to alpha-Fe/Fe(OH)(2). Interestingly, carbon-grafted-iron electrodes with bismuth sulfide exhibit complete conversion of active material to alpha-Fe/Fe(OH)2. The ameliorating effect of carbon grafting is substantiated by kinetic parameters obtained from steady-state potentiostatic polarization and Tafel plots. The mechanism for iron-electrode charge - discharge reactions are discussed in the light of the potential - pH diagrams for Fe - H2O, S - H2O and FeSads - H2O systems and it is surmised that carbon grafting into iron active material promotes its electrochemical utilization. (C) The Author(s) 2015. Published by ECS. All rights reserved.

Development and Evaluation of Prussian Blue Mediated Glucose Sensor for Reverse Iontophoresis Application

The screen printed electrochemical glucose sensor is developed suitable for revere iontophoresis (RI) application. Glucose oxidase is immobilized on screen printed sensor using crosslinking method. Electrochemical and material characterization studies are conducted on the developed sensor and the obtained results confirm the suitability of the developed sensor for RI application. The developed sensor is validated by conducting clinical investigations on 10 human subjects through RI. A correlation is established between the blood glucose and extracted glucose, and correlation is found to be 0.73. (C) 2015 The Electrochemical Society. All rights reserved.

Cadmium Sulfide Nanocrystal Sensitized Vertically Aligned Titanium Dioxide Rods for Large Area Image Sensors on 3-D Substrates

We discuss here a semiconductors assembly comprising of titanium dioxide (TiO2) rods sensitized by cadmium sulfide (CdS) nanocrystals for potential applications in large area electronics on three dimensional (3-D) substrates. Vertically aligned TiO2 rods are grown on a substrate using a 150 degrees C process flow and then sensitized with CdS by SILAR method at room temperature. This structure forms an effective photoconductor as the photo-generated electrons are rapidly removed from the CdS via the TiO2 thereby permitting a hole rich CdS. Current-voltage characteristics are measured and models illustrate space charge limited photo-current as the mechanism of charge transport at moderate voltage bias. The stable assembly and high speed are achieved. The frequency response with a loading of 10 pF and 9 M Omega shows a half power frequency of 100 Hz. (C) 2015 The Electrochemical Society. All rights reserved.

Real-Time Stress Measurements in Germanium Thin Film Electrodes during Electrochemical Lithiation/Delithiation Cycling

An in situ study of stress evolution and mechanical behavior of germanium as a lithium-ion battery electrode material is presented. Thin films of germanium are cycled in a half-cell configuration with lithium metal foil as counter/reference electrode, with 1M LiPF6 in ethylene carbonate, diethyl carbonate, dimethyl carbonate solution (1:1:1, wt%) as electrolyte. Real-time stress evolution in the germanium thin-film electrodes during electrochemical lithiation/delithiation is measured by monitoring the substrate curvature using the multi-beam optical sensing method. Upon lithiation a-Ge undergoes extensive plastic deformation, with a peak compressive stress reaching as high as -0.76 +/- 0.05 GPa (mean +/- standard deviation). The compressive stress decreases with lithium concentration reaching a value of approximately -0.3 GPa at the end of lithiation. Upon delithiation the stress quickly became tensile and follows a trend that mirrors the behavior on compressive side; the average peak tensile stress of the lithiated Ge samples was approximately 0.83 GPa. The peak tensile stress data along with the SEM analysis was used to estimate a lower bound fracture resistance of lithiated Ge, which is approximately 5.3 J/m(2). It was also observed that the lithiated Ge is rate sensitive, i.e., stress depends on how fast or slow the charging is carried out. (C) The Author(s) 2015. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.

Studies on Carbon Mediated Paste Screen Printed Sensors for Blood Glucose Sensing Application

Ready-to-use screen printed glucose sensors are fabricated using Prussian Blue (PB) and Cobalt Phthalocyanine (CoPC) mediated carbon inks as working electrodes. The reference and counter electrodes are screen printed using silver/silver chloride and graphitic carbon paste respectively. The screen printed reference electrodes (internal reference electrode (IRE)) are found to be stable for more than 60 minutes when examined with saturated calomel electrode. Optimal operating voltage for PB and CoPC screen printed sensors are determined by hydrodynamic voltammetric technique. Glucose oxidase is immobilized on the working electrodes by cross-linking method. PB mediated glucose sensor exhibits a sensitivity of 5.60 mA cm(-2)/mM for the range, 10 to 1000 mu M. Sensitivity of CoPC mediated glucose sensor is found to be 5.224 mu A cm(-2)/mM and amperometeric response is linear for the range, 100 to 1500 mu M. Interference studies on the fabricated glucose sensors are conducted with species like uric acid and ascorbic acid. PB mediated sensors showed a completely interference-free behavior. The sensing characteristics of PB mediated glucose sensors are also studied in diluted human serum samples and the results are compared with the values obtained through standard clinical method. The co-efficient of variation is found to be less than 5%. (C) 2015 The Electrochemical Society. All rights reserved.