First-principles study of CaCu3B4O12 (B=Co, Rh, Ir)

Employing first-principles density functional theory based calculations we investigated the change in electronic structure of CaCu₃B₄O₁₂ compounds as one moves from 3d (Co) to 4d (Rh) to 5d (Ir) element at B site. Our study sheds light on valences of Cu and B ions as one moves from 3d to 4d to 5d based compounds. The valence of Cu in Co and Rh compound turn out to be that of less known 3+ state, while that in Ir compound turn out to be commonly known 2+ state. Our first-principles study provide microscopic understanding of these different valences of Cu, in terms of changes in the mixing of Cu x ² − y ² and B-a _1g states, driven by changes in the crystal field and spin splitting. The stronger crystal field splitting for 4d and 5d elements compared to 3d at B site drive the low-spin state at Rh and Ir site as opposed to intermediate spin in case of Co.     

Probing the influence of superhydrophobicity and mixed wettability on droplet displacement behavior

The importance of fundamental understanding of droplet dynamics and the concomitant implications of wall wettability are critical in the emergent science and technology areas including digital microfluidics and clean energy conversion. In this work, mesoscopic illustration, based on the two-phase lattice Boltzmann model, of droplet dynamics in a microchannel is presented in order to unveil the role of superhydrophobicity and mixed wettability. The impact of critical physicochemical determinants, including capillary number and droplet size, is explored in the context of droplet–wettability interactions. Temporal evolution of wetted length and wetted area for a combination of wettability scenarios is furnished in detail in order to elucidate the droplet displacement dynamics. Capillary number plays an important role with disparate droplet behavioral patterns stemming from superhydrophobic and mixed-wet wall characteristics.     

Technical note Temporal remote sensing data and GIS application in landslide hazard zonation of part of Western ghat,India

Spatial and temporal multi-layered information is required to assess landslide hazard susceptibility. The manual method of data integration for targeting potential zones susceptible to landslide hazard is time consuming. The present study highlights the utility of temporal remotely-sensed data and knowledgebased Geographical Information Systems for collection, integration and analysis of spatially-oriented data, as well as in finding out the inherent relation between separate entities in parts of West ghat in India.     

Comparative study of the physico-chemical parameters of the coastal waters in rivers Matla and Saptamukhi: Impacts of coastal water coastal pollution

A qualitative and quantitative research has been performed on the physico-chemical parameters of the neighboring coastal waters of the rivers Matla and Saptamukhi in the Sunderban district, West Bengal. The distribution pattern of eight physico-chemical parameters, namely pH, salinity, dissolved oxygen, suspended solids, nitrogen and phosphorus concentrations (inorganic and total) has been graphed and compared for the two rivers over a time period of ten years (??90s decade). A statistical analysis has been carried out and the correlation data between these parameters has been rationalized based on both natural and man-made activities during that time. This has pointed to various causes behind coastal pollution of river waters. The changes in water quality have been related to flood impacts, storm surge, eutrophication, domestic sewage, agricultural and industrial wastes. In order to avoid coastal degradation and maintain environmental balance, it is very important to understand the impact of these parameters on coastal zones.     

Investigation of organic n-type field-effect transistor performance on the polymeric gate dielectrics

We report a copper hexadecafluorophthalocyanine (F₁₆CuPc) based n-type organic field-effect transistor (OFET) with polymeric gate dielectrics with different physical/electrical properties. The gate dielectrics are four types of cross-linked poly(4-vinylphenol) and newly prepared poly(4-phenoxy methyl styrene) and those are characterized based on surface tension, leakage current and capacitance. The performance of F₁₆CuPc OFETs with those gate dielectrics was compared. We found that the composition of the gate dielectrics and the interfacial interaction of F₁₆CuPc with the gate dielectric play a decisive role in the performance of OFETs. The effect of physical/electrical properties, composition and processing condition of the gate dielectrics on the device performance was investigated.     

Swelling behaviour of a geofiber-reinforced expansive soil

This paper reports the results of laboratory study performed on expansive soil reinforced with geofibers and demonstrates that discrete and randomly distributed geofibers are useful in restraining the swelling tendency of expansive soils. Swelling characteristics of remoulded expansive soil specimens reinforced with varying fiber content (f = 0.25% and 0.50%) and aspect ratio (l/b = 15, 30 and 45) were studied. One-dimensional swell-consolidation tests were conducted on oedometer specimens. Reduction in heave and swelling pressure was the maximum at low aspect ratios at both the fiber contents of 0.25% and 0.50%. Finally, the mechanism by which discrete and randomly distributed fibers restrain swelling of expansive soil is explained with the help of soil–fiber interaction.     

Numerical Modeling of Ti Deformation for the Development of a Titanium and Stainless Steel Transition Joint

Finite element analysis (FEA) was used to model the joining of titanium grade 2 (Ti) to AISI 321 stainless steel (SS) transition joint of lap configuration with grooves at the interface on SS side. The hot forming of Ti for filling the grooves without defects was simulated. FEA involving large plastic flow with sticking friction condition was initially validated using compression test on cylindrical specimen at 900 °C. The barreled shape and a no-deformation zone in the sample predicted by FEA matched with those of the compression experiments. For the joining process, FEA computed the distribution of strain and hydrostatic stress in Ti and the minimum ram load required for a defect-free joint. The hot forming parameters for Ti to fill the grooves without defects and any geometrical distortion of the die were found to be 0.001 s^?1 at 900 °C. Using these conditions a defect-free Ti-SS joint was experimentally produced.     

Adsorption‐concentration polarization model for ultrafiltration in mixed matrix membrane

Adsorption has been found to be significant in ultrafiltration by mixed matrix membrane. Removal of very low molecular weight solutes compared to the molecular weight cut off of the membrane is facilitated by adsorption. The modeling of the adsorption coupled with concentration polarization is presented based on the mathematical approach developed by Gekas et al. (Gekas et al. Chem Eng Sci. 1993;48:2753–2765), from the first principles. However, extensive modifications were included in theoretical development including those suggested by Ruiz‐Bevia et al. (Ruiz‐Bevia et al. Chem Eng Sci. 1997;52:2343–2352). The developed model captured the rejection dynamics with the help of retention factor. The model equations were solved under the framework of boundary layer analysis, using the integral approach. Effects of the adsorption isotherm and the different parameters affecting the system performance were also investigated. Further, experimental validation of the model results with two different mixed matrix ultrafiltration studies was also elucidated. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2354–2364, 2014