Effect of electro-mechanical coupling on actuation behavior of a carbon nanotube cellular structure

We demonstrate the effect of mechanical strain on the electrostrictive behavior of catalytically grown cellular structure of carbon nanotube (CNT). In the small strain regime, where the stress-strain behavior of the material is linear, application of an electric-field along the mechanical loading direction induces an instantaneous increase in the stress and causes an increase in the apparent Young's modulus. The instantaneous increase in the stress shows a cubic-polynomial dependence on the electric-field, which is attributed to the non-linear coupling of the mechanical strain and the electric-field induced polarization of the CNT. The electrostriction induced actuation becomes >100 times larger if the CNT sample is pre-deformed to a small strain. However, in the non-linear stress-strain regime, although a sharp increase in the apparent Young's modulus is observed upon application of an electric-field, no instantaneous increase in the stress occurs. This characteristic suggests that the softening due to the buckling of individual CNT compensates for any instantaneous rise in the electrostriction induced stress at the higher strains. We also present an analytical model to elucidate the experimental observations. (C) 2013 Elsevier Ltd. All rights reserved.

Fiber Bragg Grating Sensor Instrumentation for Parking Space Occupancy Management

This work aims at providing an effective parking management system by reducing the drivers' searching time for vacant car-parking space, in turn improving the traffic flow in the car park areas. This is achieved by the use of Fiber Bragg Grating Sensor (FBG) sensor instrumentation in vehicle parking management system. Present work involves embedding an array of FBG sensors underground in the parking space, then determining the strain changes on the FBG sensor due to load applied by the vehicle parked in the parking space, occupancy of the parking space is determined. To validate the FBG sensor parking management system, three most common cases have been considered. This closed loop FBG parking management system can give real-time feed-back to space-guidance display board helping the driver in maneuvering the vehicle to the appropriate parking space. The proposed technique offers optimized usage of parking space for the various segments of cars and also facilitates in a conjoined automated billing system, as compared to conventional method of parking systems.

Communication: Benzene dimer-The free energy landscape

Establishing the relative orientation of the two benzene molecules in the dimer has remained an enigmatic challenge. Consensus has narrowed the choice of structures to either a T-shape, that may be tilted, or a parallel displaced arrangement, but the relatively small energy differences makes identifying the global minimum difficult. Here we report an ab initio Car-Parrinello Molecular Dynamics based metadynamics computation of the free-energy landscape of the benzene dimer. Our calculations show that although competing structures may be isoenergetic, free energy always favors a tilted T-shape geometry at all temperatures where the bound benzene dimer exist. (C) 2013 AIP Publishing LLC.

Studies on the wobble mode stability of a three-wheeled vehicle

A wobble instability is one of the major problems of a three-wheeled vehicle commonly used in India, and these instabilities are of great interest to industry and academia. In this paper, we studied this instability using a multi-body dynamic model and with experiments conducted on a prototype three-wheeled vehicle on a test track. The multi-body dynamic model of a three-wheeled vehicle is developed using the commercial software ADAMS/Car. In an initial model, all components including main structures such as the frame, the steering column and the rear forks are assumed to be rigid bodies. A linear eigenvalue analysis, which is carried out at different speeds, reveals a mode that has predominantly a steering oscillation, also called a wobble mode, with a frequency of around 5-6Hz. The analysis results shows that the damping of this mode is low but positive up to the maximum speed of the three-wheeled vehicle. However, the experimental study shows that the mode is unstable at speeds below 8.33m/s. To predict and study this instability in detail, a more refined model of the three-wheeled vehicle, with flexibilities of three important bodies, was constructed in ADAMS/Car. With flexible bodies, three modes of a steering oscillation were observed. Two of these are well damped and the other is lightly damped with negative damping at lower speeds. Simulation results with flexibility incorporated show a good match with the instability observed in the experimental studies. Further, we investigated the effect of each flexible body and found that the flexibility of the steering column is the major contributor for wobble instability and is similar to the wheel shimmy problem in aircraft.

Optimum steering input determination and path-tracking of all-wheel steer vehicles on uneven terrains based on constrained optimization

In this paper we propose a framework for optimum steering input determination of all-wheel steer vehicles (AWSV) on rough terrains. The framework computes the steering input which minimizes the tracking error for a given trajectory. Unlike previous methodologies of computing steering inputs of car-like vehicles, the proposed methodology depends explicitly on the vehicle dynamics and can be extended to vehicle having arbitrary number of steering inputs. A fully generic framework has been used to derive the vehicle dynamics and a non-linear programming based constrained optimization approach has been used to compute the steering input considering the instantaneous vehicle dynamics, no-slip and contact constraints of the vehicle. All Wheel steer Vehicles have a special parallel steering ability where the instantaneous centre of rotation (ICR) is at infinity. The proposed framework automatically enables the vehicle to choose between parallel steer and normal operation depending on the error with respect to the desired trajectory. The efficacy of the proposed framework is proved by extensive uneven terrain simulations, for trajectories with continuous or discontinuous velocity profile.

Study on ride comfort assessment of multiple occupants using lumped parameter analysis

Growing consumer expectations continue to fuel further advancements in vehicle ride comfort analysis including development of a comprehensive tool capable of aiding the understanding of ride comfort. To date, most of the work on biodynamic responses of human body in the context of ride comfort mainly concentrates on driver or a designated occupant and therefore leaves the scope for further work on ride comfort analysis covering a larger number of occupants with detailed modeling of their body segments. In the present study, governing equations of a 13-DOF (degrees-of-freedom) lumped parameter model (LPM) of a full car with seats (7-DOF without seats) and a 7-DOF occupant model, a linear version of an earlier non-linear occupant model, are presented. One or more occupant models can be coupled with the vehicle model resulting into a maximum of 48-DOF LPM for a car with five occupants. These multi-occupant models can be formulated in a modular manner and solved efficiently using MATLAB/SIMULINK for a given transient road input. The vehicle model and the occupant model are independently verified by favorably comparing computed dynamic responses with published data. A number of cases with different dispositions of occupants in a small car are analyzed using the current modular approach thereby underscoring its potential for efficient ride quality assessment and design of suspension systems.

Path Following Using Trajectory Shaping Guidance

Unmanned vehicle path following by pursuing a virtual target moving along the path is considered. Limitations for pure pursuit guidance are analyzed while following the virtual target on curved paths. Trajectory shaping guidance is proposed as an alternate guidance scheme for a general curvature path. It is proven that under certain tenable assumptions trajectory shaping guidance yields an identical path as that of the virtual target. By linear analysis it is shown that the convergence to the path for trajectory shaping guidance is twice as fast as pure pursuit. Simulations highlight significant improvement in position errors by using trajectory shaping guidance. Comparative simulation studies comply with analytic findings and present better performance as compared with pure pursuit and a nonlinear guidance methodology from the literature. Experimental validation supports the analytic and simulations studies as the guidance laws are implemented on a radio-controlled car in a laboratory environment.

Estimating successive pK(a) values of polyprotic acids from ab initio molecular dynamics using metadynamics: the dissociation of phthalic acid and its isomers

Estimation of the dissociation constant, or pK(a), of weak acids continues to be a central goal in theoretical chemistry. Here we show that ab initio Car-Parrinello molecular dynamics simulations in conjunction with metadynamics calculations of the free energy profile of the dissociation reaction can provide reasonable estimates of the successive pK(a) values of polyprotic acids. We use the distance-dependent coordination number of the protons bound to the hydroxyl oxygen of the carboxylic group as the collective variable to explore the free energy profile of the dissociation process. Water molecules, sufficient to complete three hydration shells surrounding the acid molecule, were included explicitly in the computation procedure. Two distinct minima corresponding to the dissociated and un-dissociated states of the acid are observed and the difference in their free energy values provides the estimate for pK(a), the acid dissociation constant. We show that the method predicts the pK(a) value of benzoic acid in good agreement with experiment and then show using phthalic acid (benzene dicarboxylic acid) as a test system that both the first and second pK(a) values as well, as the subtle difference in their values for different isomers can be predicted in reasonable agreement with experimental data.

Ab Initio Molecular Dynamics Simulations of Amino Acids in Aqueous Solutions: Estimating pK(a) Values from Metadynamics Sampling

Changes in the protonation and deprotonation of amino acid residues in proteins play a key role in many biological processes and pathways. Here, we report calculations of the free-energy profile for the protonation deprotonation reaction of the 20 canonical alpha amino acids in aqueous solutions using ab initio Car-Parrinello molecular dynamics simulations coupled with metad-ynamics sampling. We show here that the calculated change in free energy of the dissociation reaction provides estimates of the multiple pK(a) values of the amino acids that are in good agreement with experiment. We use the bond-length-dependent number of the protons coordinated to the hydroxyl oxygen of the carboxylic and the amine groups as the collective variables to explore the free-energy profiles of the Bronsted acid-base chemistry of amino acids in aqueous solutions. We ensure that the amino acid undergoing dissociation is solvated by at least three hydrations shells with all water molecules included in the simulations. The method works equally well for amino acids with neutral, acidic and basic side chains and provides estimates of the multiple pK(a) values with a mean relative error, with respect to experimental results, of 0.2 pK(a) units.

Ab Initio MD Simulations of the Bronsted Acidity of Glutathione in Aqueous Solutions: Predicting pK(a) Shifts of the Cysteine Residue

The tripeptide glutathione (GSH) is one of the most abundant peptides and the major repository for nonprotein sulfur in both animal and plant cells. It plays a critical role in intracellular oxidative stress management by the reversible formation of glutathione disulfide with the thiol-disulfide pair acting as a redox buffer. The state of charge of the ionizable groups of GSH can influence the redox couple, and hence the pK(a) value of the cysteine residue of GSH is critical to its functioning. Here we report ab initio Car-Parrinello molecular dynamics simulations of glutathione solvated by 200 water molecules, all of which are considered in the simulation. We show that the free-energy landscape for the protonation-deprotonation reaction of the cysteine residue of GSH computed using metadynamics sampling provides shift in the dissociation constant values as compared with the isolated accurate estimates of the pK(a) and correctly predicts the cysteine amino acid.

SPEECH ENHANCEMENT USING DISCRIMINATIVE RANDOM FIELDS

Speech enhancement in stationary noise is addressed using the ideal channel selection framework. In order to estimate the binary mask, we propose to classify each time-frequency (T-F) bin of the noisy signal as speech or noise using Discriminative Random Fields (DRF). The DRF function contains two terms - an enhancement function and a smoothing term. On each T-F bin, we propose to use an enhancement function based on likelihood ratio test for speech presence, while Ising model is used as smoothing function for spectro-temporal continuity in the estimated binary mask. The effect of the smoothing function over successive iterations is found to reduce musical noise as opposed to using only enhancement function. The binary mask is inferred from the noisy signal using Iterated Conditional Modes (ICM) algorithm. Sentences from NOIZEUS corpus are evaluated from 0 dB to 15 dB Signal to Noise Ratio (SNR) in 4 kinds of additive noise settings: additive white Gaussian noise, car noise, street noise and pink noise. The reconstructed speech using the proposed technique is evaluated in terms of average segmental SNR, Perceptual Evaluation of Speech Quality (PESQ) and Mean opinion Score (MOS).