Size-dependent and strain rate effects in quantum dot nanostructures with molecular dynamic simulations

Size and strain rate effects are among several factors which play an important role in determining the response of nanostructures, such as their deformations, to the mechanical loadings. The mechanical deformations in nanostructure systems at finite temperatures are intrinsically dynamic processes. Most of the recent works in this context have been focused on nanowires [1, 2], but very little attention has been paid to such low dimensional nanostructures as quantum dots (QDs). In this contribution, molecular dynamics (MD) simulations with an embedded atom potential method(EAM) are carried out to analyse the size and strain rate effects in the silicon (Si) QDs, as an example. We consider various geometries of QDs such as spherical, cylindrical and cubic. We choose Si QDs as an example due to their major applications in solar cells and biosensing. The analysis has also been focused on the variation in the deformation mechanisms with the size and strain rate for Si QD embedded in a matrix of SiO2 [3] (other cases include SiN and SiC matrices).It is observed that the mechanical properties are the functions of the QD size, shape and strain rate as it is in the case for nanowires [2]. We also present the comparative study resulted from the application of different EAM potentials in particular, the Stillinger-Weber (SW) potential, the Tersoff potentials and the environment-dependent interatomic potential (EDIP) [1]. Finally, based on the stabilized structural properties we compute electronic bandstructures of our nanostructures using an envelope function approach and its finite element implementation.

Dynamic and thermodynamic anomalies of water at low temperatures: from bulk water to reverse micelles and DNA hydration layer

Liquid water is known to exhibit remarkable thermodynamic and dynamic anomalies, ranging from solvation properties in supercritical state to an apparent divergence of the linear response functions at a low temperature. Anomalies in various dynamic properties of water have also been observed in the hydration layer of proteins, DNA grooves and inside the nanocavity, such as reverse micelles and nanotubes. Here we report studies on the molecular origin of these anomalies in supercooled water, in the grooves of DNA double helix and reverse micelles. The anomalies have been discussed in terms of growing correlation length and intermittent population fluctuation of 4- and 5-coordinated species. We establish correlation between thermodynamic response functions and mean squared species number fluctuation. Lifetime analysis of 4- and 5-coordinated species reveals interesting differences between the role of the two species in supercooled and constrained water. The nature and manifestations of the apparent and much discussed liquid-liquid transition under confinement are found to be markedly different from that in the bulk. We find an interesting `faster than bulk' relaxation in reverse micelles which we attribute to frustration effects created by competition between the correlations imposed by surface interactions and that imposed by hydrogen bond network of water.

Computer-aided analysis of high-speed protective relays

Most of the modern distance relays are designed to avoid overreaching due to the transient d.c. component of the fault current, whereas a more likely source of transients in e.h.v. systems is the oscillatory discharge of the system charging current into the fault. Until now attempts have not been made to reproduce these transients in the laboratory. This paper describes an analogue and an accurate digital simulation of these harmonic transients. The dynamic behaviour of a typical polarised mho-type relay is analysed, and results are presented. The paper also advocates the use of active filters for filtering the harmonics associated with e.h.v. system, and hence, to improve the speed of response and accuracy of the protective relays.

Torque Angle Loop Analysis of Synchronous Machines

This paper reports the dynamic stability analysis of a single machine infinite bus system through torque angle loop analysis and forms an extension of the work on Block diagrams and torque angle loop analysis of synchronous machines reported by I. Nagy [3]. It aims to incorporate in the machine model, the damper windings (one on each axis) and to compare the dynamic behaviour of the system with and without damper windings. The effect of using different stabilizing signals (viz. active power and speed deviations) on the dynamic performance is analysed and the significant effect of damper windings on the dynamic behaviour of the system is highlighted.

Insights to urban dynamics through landscape spatial pattern analysis

Urbanisation is a dynamic complex phenomenon involving large scale changes in the land uses at local levels. Analyses of changes in land uses in urban environments provide a historical perspective of land use and give an opportunity to assess the spatial patterns, correlation, trends, rate and impacts of the change, which would help in better regional planning and good governance of the region. Main objective of this research is to quantify the urban dynamics using temporal remote sensing data with the help of well-established landscape metrics. Bangalore being one of the rapidly urbanising landscapes in India has been chosen for this investigation. Complex process of urban sprawl was modelled using spatio temporal analysis. Land use analyses show 584% growth in built-up area during the last four decades with the decline of vegetation by 66% and water bodies by 74%. Analyses of the temporal data reveals an increase in urban built up area of 342.83% (during 1973-1992), 129.56% (during 1992-1999), 106.7% (1999-2002), 114.51% (2002-2006) and 126.19% from 2006 to 2010. The Study area was divided into four zones and each zone is further divided into 17 concentric circles of 1 km incrementing radius to understand the patterns and extent of the urbanisation at local levels. The urban density gradient illustrates radial pattern of urbanisation for the period 1973-2010. Bangalore grew radially from 1973 to 2010 indicating that the urbanisation is intensifying from the central core and has reached the periphery of the Greater Bangalore. Shannon's entropy, alpha and beta population densities were computed to understand the level of urbanisation at local levels. Shannon's entropy values of recent time confirms dispersed haphazard urban growth in the city, particularly in the outskirts of the city. This also illustrates the extent of influence of drivers of urbanisation in various directions. Landscape metrics provided in depth knowledge about the sprawl. Principal component analysis helped in prioritizing the metrics for detailed analyses. The results clearly indicates that whole landscape is aggregating to a large patch in 2010 as compared to earlier years which was dominated by several small patches. The large scale conversion of small patches to large single patch can be seen from 2006 to 2010. In the year 2010 patches are maximally aggregated indicating that the city is becoming more compact and more urbanised in recent years. Bangalore was the most sought after destination for its climatic condition and the availability of various facilities (land availability, economy, political factors) compared to other cities. The growth into a single urban patch can be attributed to rapid urbanisation coupled with the industrialisation. Monitoring of growth through landscape metrics helps to maintain and manage the natural resources. (C) 2012 Elsevier B.V. All rights reserved.

Causality analysis of groundwater dynamics based on a Vector Autoregressive model in the semi-arid basin of Gundal (South India)

Causal relationships existing between observed levels of groundwater in a semi-arid sub-basin of the Kabini River basin (Karnataka state, India) are investigated in this study. A Vector Auto Regressive model is used for this purpose. Its structure is built on an upstream/downstream interaction network based on observed hydro-physical properties. Exogenous climatic forcing is used as an input based on cumulated rainfall departure. Optimal models are obtained thanks to a trial approach and are used as a proxy of the dynamics to derive causal networks. It appears to be an interesting tool for analysing the causal relationships existing inside the basin. The causal network reveals 3 main regions: the Northeastern part of the Gundal basin is closely coupled to the outlet dynamics. The Northwestern part is mainly controlled by the climatic forcing and only marginally linked to the outlet dynamic. Finally, the upper part of the basin plays as a forcing rather than a coupling with the lower part of the basin allowing for a separate analysis of this local behaviour. The analysis also reveals differential time scales at work inside the basin when comparing upstream oriented with downstream oriented causalities. In the upper part of the basin, time delays are close to 2 months in the upward direction and lower than 1 month in the downward direction. These time scales are likely to be good indicators of the hydraulic response time of the basin which is a parameter usually difficult to estimate practically. This suggests that, at the sub-basin scale, intra-annual time scales would be more relevant scales for analysing or modelling tropical basin dynamics in hard rock (granitic and gneissic) aquifers ubiquitous in south India. (c) 2012 Elsevier B.V. All rights reserved.

Analysis of Conformational Variation in Macromolecular Structural Models

Experimental conditions or the presence of interacting components can lead to variations in the structural models of macromolecules. However, the role of these factors in conformational selection is often omitted by in silico methods to extract dynamic information from protein structural models. Structures of small peptides, considered building blocks for larger macromolecular structural models, can substantially differ in the context of a larger protein. This limitation is more evident in the case of modeling large multi-subunit macromolecular complexes using structures of the individual protein components. Here we report an analysis of variations in structural models of proteins with high sequence similarity. These models were analyzed for sequence features of the protein, the role of scaffolding segments including interacting proteins or affinity tags and the chemical components in the experimental conditions. Conformational features in these structural models could be rationalized by conformational selection events, perhaps induced by experimental conditions. This analysis was performed on a non-redundant dataset of protein structures from different SCOP classes. The sequence-conformation correlations that we note here suggest additional features that could be incorporated by in silico methods to extract dynamic information from protein structural models.

NMR Analysis of Cross Strand Aromatic Interactions in an 8 Residue Hairpin and a 14 Residue Three Stranded beta-Sheet Peptide

Cross strand aromatic interactions between a facing pair of phenylalanine residues in antiparallel beta-sheet structures have been probed using two structurally defined model peptides. The octapeptide Boc-(LFVPPLFV)-P-D-P-L-OMe (peptide 1) favors the beta-hairpin conformation nucleated by the type II' beta-turn formed by the (D)Pro-(L)Pro segment, placing Phe2 and Phe7 side chains in proximity. Two centrally positioned (D)Pro-(L)Pro segments facilitate the three stranded beta-sheet formation in the 14 residue peptide Boc-LFV(D)P(L)PLFVA(D)P(L)PLFV-OMe (peptide 2) in which the Phe2/Phe7 orientations are similar to that in the octapeptide. The anticipated folded conformations of peptides 1 and 2 are established by the delineation of intramolecularly hydrogen bonded NH groups and by the observation of specific cross strand NOEs. The observation of ring current shifted aromatic protons is a diagnostic of close approach of the Phe2 and Phe7 side chains. Specific assignment of aromatic proton resonances using HSQC and HSQC-TOCSY methods allow an analysis of interproton NOEs between the spatially proximate aromatic rings. This approach facilitates specific assignments in systems containing multiple aromatic rings in spectra at natural abundance. Evidence is presented for a dynamic process which invokes a correlated conformational change about the C-alpha-C-beta(chi(1)) bond for the pair of interacting Phe residues. NMR results suggest that aromatic ring orientations observed in crystals are maintained in solution. Anomalous temperature dependence of ring current induced proton chemical shifts suggests that solvophobic effects may facilitate aromatic ring clustering in apolar solvents.

Design and analysis of a peer-to-peer based distributed clock synchronisation protocol for wireless sensor networks

Clock synchronisation is an important requirement for various applications in wireless sensor networks (WSNs). Most of the existing clock synchronisation protocols for WSNs use some hierarchical structure that introduces an extra overhead due to the dynamic nature of WSNs. Besides, it is difficult to integrate these clock synchronisation protocols with sleep scheduling scheme, which is a major technique to conserve energy. In this paper, we propose a fully distributed peer-to-peer based clock synchronisation protocol, named Distributed Clock Synchronisation Protocol (DCSP), using a novel technique of pullback for complete sensor networks. The pullback technique ensures that synchronisation phases of any pair of clocks always overlap. We have derived an exact expression for a bound on maximum synchronisation error in the DCSP protocol, and simulation study verifies that it is indeed less than the computed upper bound. Experimental study using a few TelosB motes also verifies that the pullback occurs as predicted.

Implications of program phase behavior on timing analysis

Knowledge about program worst case execution time (WCET) is essential in validating real-time systems and helps in effective scheduling. One popular approach used in industry is to measure execution time of program components on the target architecture and combine them using static analysis of the program. Measurements need to be taken in the least intrusive way in order to avoid affecting accuracy of estimated WCET. Several programs exhibit phase behavior, wherein program dynamic execution is observed to be composed of phases. Each phase being distinct from the other, exhibits homogeneous behavior with respect to cycles per instruction (CPI), data cache misses etc. In this paper, we show that phase behavior has important implications on timing analysis. We make use of the homogeneity of a phase to reduce instrumentation overhead at the same time ensuring that accuracy of WCET is not largely affected. We propose a model for estimating WCET using static worst case instruction counts of individual phases and a function of measured average CPI. We describe a WCET analyzer built on this model which targets two different architectures. The WCET analyzer is observed to give safe estimates for most benchmarks considered in this paper. The tightness of the WCET estimates are observed to be improved for most benchmarks compared to Chronos, a well known static WCET analyzer.

A transient detection algorithm for audio using iterative analysis of STFT

We propose an iterative algorithm to detect transient segments in audio signals. Short time Fourier transform(STFT) is used to detect rapid local changes in the audio signal. The algorithm has two steps that iteratively - (a) calculate a function of the STFT and (b) build a transient signal. A dynamic thresholding scheme is used to locate the potential positions of transients in the signal. The iterative procedure ensures that genuine transients are built up while the localised spectral noise are suppressed by using an energy criterion. The extracted transient signal is later compared to a ground truth dataset. The algorithm performed well on two databases. On the EBU-SQAM database of monophonic sounds, the algorithm achieved an F-measure of 90% while on our database of polyphonic audio an F-measure of 91% was achieved. This technique is being used as a preprocessing step for a tempo analysis algorithm and a TSR (Transients + Sines + Residue) decomposition scheme.

Influence of strain localization on reliability based design of bridge abutments using pseudo-dynamic method

The paper focuses on reliability based design of bridge abutments when subjected to earthquake loading. Planar failure surface has been used in conjunction with pseudo-dynamic approach to compute the seismic active earth pressures on the bridge abutment. The proposed pseudo dynamic method, considers the effects of strain localization in the backfill soil and associated post-peak reduction in the shear resistance from peak to residual values along a previously formed failure plane, phase difference in shear waves and soil amplification along with the horizontal seismic accelerations. Four modes of stability viz. sliding, overturning, eccentricity and bearing capacity of the foundation soil are considered for the reliability analysis. The influence of various design parameters on the seismic reliability indices against four modes of failure is presented, following the suggestions of Japan Road Association, Caltrans Bridge Design Specifications and U.S Department of the Army.

Modeling the dynamic response of wrap-faced reinforced soil retaining walls

This paper describes the development of a numerical model for simulating the shaking table tests on wrap-faced reinforced soil retaining walls. Some of the physical model tests carried out on reinforced soil retaining walls subjected to dynamic excitation through uniaxial shaking tests are briefly discussed. Models of retaining walls are constructed in a perspex box with geotextile reinforcement using the wraparound technique with dry sand backfill and instrumented with displacement sensors, accelerometers, and soil pressure sensors. Results showed that the displacements decrease with the increase in number of reinforcement layers, whereas acceleration amplifications were not affected significantly. Numerical modeling of these shaking table tests is carried out using the Fast Lagrangian Analysis of Continua program. The numerical model is validated by comparing the results with experiments on physical models. Responses of wrap-faced walls with varying numbers of reinforcement layers are compared. Sensitivity analysis performed on the numerical models showed that the friction and dilation angle of backfill material and stiffness properties of the geotextile-soil interface are the most affecting parameters for the model response.

Analysis of voltage stability in multi-infeed HVDC systems with STATCOM

This paper presents the modelling and analysis of voltage stability at AC commutation bus in LCC (Line commutated converters) based multi-infeed HVDC system. The paper also presents the analysis of effects of various operating control modes in HVDC as well as location of disturbance on the voltage stability of the system under study. A new method of modelling the LCC converters as time varying admittance at the AC commutation bus is also presented in this paper. In this paper, the modelling of STATCOM for provision of dynamic voltage support at one of the AC buses of the HVDC system is presented. The reactive power injected by STATCOM is controlled by regulating the voltage of the AC bus to which STATCOM is connected. The case study also discusses the effects of various possible combinations of location of STATCOM and disturbance considered, on the voltage stability of the multi-infeed HVDC system.

Stochastic analysis of epidemics on adaptive time varying networks

Many studies investigating the effect of human social connectivity structures (networks) and human behavioral adaptations on the spread of infectious diseases have assumed either a static connectivity structure or a network which adapts itself in response to the epidemic (adaptive networks). However, human social connections are inherently dynamic or time varying. Furthermore, the spread of many infectious diseases occur on a time scale comparable to the time scale of the evolving network structure. Here we aim to quantify the effect of human behavioral adaptations on the spread of asymptomatic infectious diseases on time varying networks. We perform a full stochastic analysis using a continuous time Markov chain approach for calculating the outbreak probability, mean epidemic duration, epidemic reemergence probability, etc. Additionally, we use mean-field theory for calculating epidemic thresholds. Theoretical predictions are verified using extensive simulations. Our studies have uncovered the existence of an ``adaptive threshold,'' i.e., when the ratio of susceptibility (or infectivity) rate to recovery rate is below the threshold value, adaptive behavior can prevent the epidemic. However, if it is above the threshold, no amount of behavioral adaptations can prevent the epidemic. Our analyses suggest that the interaction patterns of the infected population play a major role in sustaining the epidemic. Our results have implications on epidemic containment policies, as awareness campaigns and human behavioral responses can be effective only if the interaction levels of the infected populace are kept in check.