Seismic hazard analysis of India using areal sources

In view of the major advancement made in understanding the seismicity and seismotectonics of the Indian region in recent times, an updated probabilistic seismic hazard map of India covering 6-38 degrees N and 68-98 degrees E is prepared. This paper presents the results of probabilistic seismic hazard analysis of India done using regional seismic source zones and four well recognized attenuation relations considering varied tectonic provinces in the region. The study area was divided into small grids of size 0.1 degrees x 0.1 degrees. Peak Horizontal Acceleration (PHA) and spectral accelerations for periods 0.1 s and 1 s have been estimated and contour maps showing the spatial variation of the same are presented in the paper. The present study shows that the seismic hazard is moderate in peninsular shield, but the hazard in most parts of North and Northeast India is high. (C) 2012 Elsevier Ltd. All rights reserved.

The curvature of the liquid-vapor reduced pressure curve and its relation with the critical region

For most fluids, there exist a maximum and a minimum in the curvature of the reduced vapor pressure curve, p(r) = p(r)(T-r) (with p(r) = p/p(c) and T-r = T/T-c, p(c) and T-c being the pressure and temperature at the critical point). By analyzing National Institute of Standards and Technology (NIST) data on the liquid-vapor coexistence curve for 105 fluids, we find that the maximum occurs in the reduced temperature range 0.5 <= T-r <= 0.8 while the minimum occurs in the reduced temperature range 0.980 <= T-r <= 0.995. Vapor pressure equations for which d(2)p(r)/dT(r)(2) diverges at the critical point present a minimum in their curvature. Therefore, the point of minimum curvature can be used as a marker for the critical region. By using the well-known Ambrose-Walton (AW) vapor pressure equation we obtain the reduced temperatures of the maximum and minimum curvature in terms of the Pitzer acentric factor. The AW predictions are checked against those obtained from NIST data. (C) 2013 Elsevier Ltd. All rights reserved.

Seismic site classification and correlation between standard penetration test N value and shear wave velocity for Lucknow city in Indo-Gangetic basin

Subsurface lithology and seismic site classification of Lucknow urban center located in the central part of the Indo-Gangetic Basin (IGB) are presented based on detailed shallow subsurface investigations and borehole analysis. These are done by carrying out 47 seismic surface wave tests using multichannel analysis of surface waves (MASW) and 23 boreholes drilled up to 30 m with standard penetration test (SPT) N values. Subsurface lithology profiles drawn from the drilled boreholes show low- to medium-compressibility clay and silty to poorly graded sand available till depth of 30 m. In addition, deeper boreholes (depth >150 m) were collected from the Lucknow Jal Nigam (Water Corporation), Government of Uttar Pradesh to understand deeper subsoil stratification. Deeper boreholes in this paper refer to those with depth over 150 m. These reports show the presence of clay mix with sand and Kankar at some locations till a depth of 150 m, followed by layers of sand, clay, and Kankar up to 400 m. Based on the available details, shallow and deeper cross-sections through Lucknow are presented. Shear wave velocity (SWV) and N-SPT values were measured for the study area using MASW and SPT testing. Measured SWV and N-SPT values for the same locations were found to be comparable. These values were used to estimate 30 m average values of N-SPT (N-30) and SWV (V-s(30)) for seismic site classification of the study area as per the National Earthquake Hazards Reduction Program (NEHRP) soil classification system. Based on the NEHRP classification, the entire study area is classified into site class C and D based on V-s(30) and site class D and E based on N-30. The issue of larger amplification during future seismic events is highlighted for a major part of the study area which comes under site class D and E. Also, the mismatch of site classes based on N-30 and V-s(30) raises the question of the suitability of the NEHRP classification system for the study region. Further, 17 sets of SPT and SWV data are used to develop a correlation between N-SPT and SWV. This represents a first attempt of seismic site classification and correlation between N-SPT and SWV in the Indo-Gangetic Basin.

Unique Type II Halogen center dot center dot center dot Halogen Interactions in Pentafluorophenyl-Appended 2,2 `-Bithiazoles

Herein, we report the design and synthesis of 2,2'-bithiazole derivatives with efficient intermolecular halogen interactions. The single crystal X-ray diffraction studies revealed unique type-II halogen interactions in these derivatives. The shortest type-II F center dot center dot center dot F interactions within the distance of 2.67 angstrom, at an angle of 89.1 degrees and 174.2 degrees, was observed for the first time. The Gaussian calculations were performed to further establish predominant F center dot center dot center dot F interactions.

Synthesis, microstructure and thermal expansion studies on Ca0 center dot 5+x/2Sr0 center dot 5+x/2Zr4P6-2x Si-2x O-24 system prepared by co-precipitation method

We report on the synthesis, microstructure and thermal expansion studies on Ca0 center dot 5 + x/2Sr0 center dot 5 + x/2Zr4P6 -aEuro parts per thousand 2x Si-2x O-24 (x = 0 center dot 00 to 1 center dot 00) system which belongs to NZP family of low thermal expansion ceramics. The ceramics synthesized by co-precipitation method at lower calcination and the sintering temperatures were in pure NZP phase up to x = 0 center dot 37. For x a parts per thousand yen 0 center dot 5, in addition to NZP phase, ZrSiO4 and Ca2P2O7 form as secondary phases after sintering. The bulk thermal expansion behaviour of the members of this system was studied from 30 to 850 A degrees C. The thermal expansion coefficient increases from a negative value to a positive value with the silicon substitution in place of phosphorous and a near zero thermal expansion was observed at x = 0 center dot 75. The amount of hysteresis between heating and cooling curves increases progressively from x = 0 center dot 00 to 0 center dot 37 and then decreases for x > 0 center dot 37. The results were analysed on the basis of formation of the silicon based glassy phase and increase in thermal expansion anisotropy with silicon substitution.

Buildup of aerosols over the Indian Region

Climate change has great significance globally in general and South Asia in particular. Here we have used data from a network of 35 aerosol observatories over the Indian region to generate the first time regional synthesis using primary data and estimate the aerosol trends. On an average, aerosol optical depth (AOD) was found increasing at a rate of 2.3% (of its value in 1985) per year and more rapidly (similar to 4%) during the last decade. If the trends continue so, AOD at several locations would nearly double and approach unity in the next few decades leading to an enhancement in aerosol-induced lower atmospheric warming by a factor of two. However, a regionally averaged scenario can be ascertained only in the coming years, when longer and denser data would become available. The regional and global climate implications of such trends in the forcing elements need to be better assessed using GCMs.

Comprehensive investigations on DNa center dot center dot center dot A (D = H/F) complexes show why `sodium bonding' is not commonly observed

A comprehensive study of D-Na center dot center dot center dot A (D = H/F) complexes has been done using advanced ab initio and atoms in molecule (AIM) theoretical analyses. The correlation between electron density at bond critical point and binding energy gives a distinguishing feature for hydrogen bonding, different from the `electrostatic complexes' formed by LiD and NaD. Moreover, the LiD/NaD dimers have both linear and anti-parallel minima, as expected for electrostatic dipole-dipole interactions. The HF dimer has a quasi-linear minimum and the anti-parallel structure is a saddle point. Clearly, characterizing hydrogen bonding as `nothing but electrostatic interaction between two dipoles' is grossly in error.

Assessing future rainfall projections using multiple GCMs and a multi-site stochastic downscaling model

Impact of global warming on daily rainfall is examined using atmospheric variables from five General Circulation Models (GCMs) and a stochastic downscaling model. Daily rainfall at eleven raingauges over Malaprabha catchment of India and National Center for Environmental Prediction (NCEP) reanalysis data at grid points over the catchment for a continuous time period 1971-2000 (current climate) are used to calibrate the downscaling model. The downscaled rainfall simulations obtained using GCM atmospheric variables corresponding to the IPCC-SRES (Intergovernmental Panel for Climate Change - Special Report on Emission Scenarios) A2 emission scenario for the same period are used to validate the results. Following this, future downscaled rainfall projections are constructed and examined for two 20 year time slices viz. 2055 (i.e. 2046-2065) and 2090 (i.e. 2081-2100). The model results show reasonable skill in simulating the rainfall over the study region for the current climate. The downscaled rainfall projections indicate no significant changes in the rainfall regime in this catchment in the future. More specifically, 2% decrease by 2055 and 5% decrease by 2090 in monsoon (HAS) rainfall compared to the current climate (1971-2000) under global warming conditions are noticed. Also, pre-monsoon (JFMAM) and post-monsoon (OND) rainfall is projected to increase respectively, by 2% in 2055 and 6% in 2090 and, 2% in 2055 and 12% in 2090, over the region. On annual basis slight decreases of 1% and 2% are noted for 2055 and 2090, respectively.

Estimation of design basis earthquake using region-specific M-max, for the NPP site at Kalpakkam, Tamil Nadu, India

The objective of the paper is to estimate Safe Shutdown Earthquake (SSE) and Operating/Design Basis Earthquake (OBE/DBE) for the Nuclear Power Plant (NPP) site located at Kalpakkam, Tamil Nadu, India. The NPP is located at 12.558 degrees N, 80.175 degrees E and a 500 km circular area around NPP site is considered as `seismic study area' based on past regional earthquake damage distribution. The geology, seismicity and seismotectonics of the study area are studied and the seismotectonic map is prepared showing the seismic sources and the past earthquakes. Earthquake data gathered from many literatures are homogenized and declustered to form a complete earthquake catalogue for the seismic study area. The conventional maximum magnitude of each source is estimated considering the maximum observed magnitude (M-max(obs)) and/or the addition of 0.3 to 0.5 to M-max(obs). In this study maximum earthquake magnitude has been estimated by establishing a region's rupture character based on source length and associated M-max(obs). A final source-specific M-max is selected from the three M-max values by following the logical criteria. To estimate hazard at the NPP site, ten Ground-Motion Prediction Equations (GMPEs) valid for the study area are considered. These GMPEs are ranked based on Log-Likelihood (LLH) values. Top five GMPEs are considered to estimate the peak ground acceleration (PGA) for the site. Maximum PGA is obtained from three faults and named as vulnerable sources to decide the magnitudes of OBE and SSE. The average and normalized site specific response spectrum is prepared considering three vulnerable sources and further used to establish site-specific design spectrum at NPP site.

State estimation in power systems using linear model infinity norm-based trust region approach

State estimation is one of the most important functions in an energy control centre. An computationally efficient state estimator which is free from numerical instability/ill-conditioning is essential for security assessment of electric power grid. Whereas approaches to successfully overcome the numerical ill-conditioning issues have been proposed, an efficient algorithm for addressing the convergence issues in the presence of topological errors is yet to be evolved. Trust region (TR) methods have been successfully employed to overcome the divergence problem to certain extent. In this study, case studies are presented where the conventional algorithms including the existing TR methods would fail to converge. A linearised model-based TR method for successfully overcoming the convergence issues is proposed. On the computational front, unlike the existing TR methods for state estimation which employ quadratic models, the proposed linear model-based estimator is computationally efficient because the model minimiser can be computed in a single step. The model minimiser at each step is computed by minimising the linearised model in the presence of TR and measurement mismatch constraints. The infinity norm is used to define the geometry of the TR. Measurement mismatch constraints are employed to improve the accuracy. The proposed algorithm is compared with the quadratic model-based TR algorithm with case studies on the IEEE 30-bus system, 205-bus and 514-bus equivalent systems of part of Indian grid.

Halogen bonding in fluorine: experimental charge density study on intermolecular F center dot center dot center dot F and F center dot center dot center dot S donor-acceptor contacts

The enigmatic type II C-F center dot center dot center dot F-C and C-F center dot center dot center dot S-C interactions in pentafluorophenyl 2,2'-bithiazole are shown to be realistic ``r-hole'' interactions based on high resolution X-ray charge density analysis.

Wafer scale fabrication of porous three-dimensional plasmonic metamaterials for the visible region: chiral and beyond

We report on a wafer scale fabrication method of a three-dimensional plasmonic metamaterial with strong chiroptical response in the visible region of the electromagnetic spectrum. The system was comprised of metallic nanoparticles arranged in a helical fashion, with high degree of flexibility over the choice of the underlying material, as well as their geometrical parameters. This resulted in exquisite control over the chiroptical properties, most importantly the spectral signature of the circular dichroism. In spite of the large variability in the arrangement, as well as the size and shape of the constituent nanoparticles, the average chiro-optical response of the material remained uniform across the wafer, thus confirming the suitability of this system as a large area chiral metamaterial. By simply heating the substrate for a few minutes, the geometrical properties of the nanoparticles could be altered, thus providing an additional handle towards tailoring the spectral response of this novel material.

The X-C center dot center dot center dot Y (X = O/F, Y = O/S/F/Cl/Br/N/P) `carbon bond' and hydrophobic interactions

While the tetrahedral face of methane has an electron rich centre and can act as a hydrogen bond acceptor, substitution of one of its hydrogens with some electron withdrawing group (such as -F/OH) can make the opposite face electron deficient. Electrostatic potential calculations confirm this and high level quantum calculations show interactions between the positive face of methanol/methyl fluoride and electron rich centers of other molecules such as H2O. Analysis of the wave functions of atoms in molecules shows the presence of an unusual C center dot center dot center dot Y interaction, which could be called `carbon bonding'. NBO analysis and vibrational frequency shifts confirm the presence of this interaction. Given the properties of alkyl groups bonded to electronegative elements in biological molecules, such interactions could play a significant role, which is yet to be recognized. This and similar interactions could give an enthalpic contribution to what is called the `hydrophobic interactions'.

Single electron transfer-driven multi-dimensional signal read-out function of TCNQ as an ``off-the-shelf'' detector for cyanide

Herein we report the first applications of TCNQ as a rapid and highly sensitive off-the-shelf cyanide detector. As a proof-of-concept, we have applied a kinetically selective single-electron transfer (SET) from cyanide to deep-lying LUMO orbitals of TCNQ to generate a persistently stable radical anion (TCNQ(center dot-)), under ambient condition. In contrast to the known cyanide sensors that operate with limited signal outputs, TCNQ(center dot-) offers a unique multiple signaling platform. The signal readability is facilitated through multichannel absorption in the UV-vis-NIR region and scattering-based spectroscopic methods like Raman spectroscopy and hyper Rayleigh scattering techniques. Particularly notable is the application of the intense 840 nm NIR absorption band to detect cyanide. This can be useful for avoiding background interference in the UV-vis region predominant in biological samples. We also demonstrate the fabrication of a practical electronic device with TCNQ as a detector. The device generates multiorder enhancement in current with cyanide because of the formation of the conductive TCNQ(center dot-).

Synthon modularity in Cocrystals of 4-Bromobenzamide with n-Alkanedicarboxylic acids: type I and type ll Halogen center dot center dot center dot Halogen interactions

A Cambridge Structural Database (CSD) analysis on halogen center dot center dot center dot halogen contacts (X...X) in organic crystals has been carried out to review the classification criteria for type I, type II, and quasi type I/II halogen interactions. Trends observed in previous CSD analyses of the phenomenon are reinforced in the present study. The manner in which these interactions are manifested in cocrystals of 4-bromobenzamide and dicarboxylic acid is examined. The design strategy for these cocrystals uses synthon theory and follows from an understanding of the crystal structures of gamma-hydroquinone and a previously studied set of 4-hydroxybenzamide dicarboxylic acid cocrystals, making use of Br/OH isostructurality. All cocrystals are obtained by clean insertion of dicarboxylic acids between 4-bromobenzamide molecules. The strategy is deliberate and the prediction of synthons done well in advance, as evidenced from the robustness of the acid-amide heterosynthons in all nine crystal structures, with no aberrant structures in the crystallization experiments. Formation of the acid-amide synthon in these cocrystals is identified with IR spectroscopy. The packing in these cocrystals can be distinguished in terms of whether the Br...Br interactions are type I or II. Eight sets of dimorphs were retrieved from the CSD, wherein the basis of the polymorphism is that one crystal has a type I Br...Br interaction, while the other has a type II interaction.