Evolving Random Geometric Graph Models for Mobile Wireless Networks

We consider evolving exponential RGGs in one dimension and characterize the time dependent behavior of some of their topological properties. We consider two evolution models and study one of them detail while providing a summary of the results for the other. In the first model, the inter-nodal gaps evolve according to an exponential AR(1) process that makes the stationary distribution of the node locations exponential. For this model we obtain the one-step conditional connectivity probabilities and extend it to the k-step case. Finite and asymptotic analysis are given. We then obtain the k-step connectivity probability conditioned on the network being disconnected. We also derive the pmf of the first passage time for a connected network to become disconnected. We then describe a random birth-death model where at each instant, the node locations evolve according to an AR(1) process. In addition, a random node is allowed to die while giving birth to a node at another location. We derive properties similar to those above.

Quantum Random Walks without Coin Toss

We construct a quantum random walk algorithm, based on the Dirac operator instead of the Laplacian. The algorithm explores multiple evolutionary branches by superposition of states, and does not require the coin toss instruction of classical randomised algorithms. We use this algorithm to search for a marked vertex on a hypercubic lattice in arbitrary dimensions. Our numerical and analytical results match the scaling behaviour of earlier algorithms that use a coin toss instruction.

Docking and free energy simulations to predict conformational domains involved in hCG-LH receptor interactions using recombinant antibodies

Single chain fragment variables (ScFvs) have been extensively employed in studying the protein-protein interactions. ScFvs derived from phage display libraries have an additional advantage of being generated against a native antigen, circumventing loss of information on conformational epitopes. In the present study, an attempt has been made to elucidate human chorionic gonadotropin (hCG)-luteinizing hormone (LH) receptor interactions by using a neutral and two inhibitory ScFvs against hCG. The objective was to dock a computationally derived model of these ScFvs onto the crystal structure of hCG and understand the differential roles of the mapped epitopes in hCG-LH receptor interactions. An anti-hCG ScFv, whose epitope was mapped previously using biochemical tools, served as the positive control for assessing the quality of docking analysis. To evaluate the role of specific side chains at the hCG-ScFv interface, binding free energy as well as residue interaction energies of complexes in solution were calculated using molecular mechanics Poisson-Boltzmann/surface area method after performing the molecular dynamic simulations on the selected hCG-ScFv models and validated using biochemical and SPR analysis. The robustness of these calculations was demonstrated by comparing the theoretically determined binding energies with the experimentally obtained kinetic parameters for hCG-ScFv complexes. Superimposition of hCG-ScFv model onto a model of hCG complexed with the 51-266 residues of LH receptor revealed importance of the residues previously thought to be unimportant for hormone binding and response. This analysis provides an alternate tool for understanding the structure-function analysis of ligand-receptor interactions. Proteins 2011;79:3108-3122. (C) 2011 Wiley-Liss, Inc.

The standard molar Gibbs energy of formation of YbPt3 and LuPt3 intermetallics

The standard molar Gibbs energies of formation of YbPt3 and LuPt3 intermetallic compounds have been measured in the temperature range 880 K to 1100 K using the solid-state cells:View the MathML source and View the MathML source The trifluoride of Yb is not stable in equilibrium with Yb or YbPt3. The results can be expressed by the equations: View the MathML source View the MathML source The standard molar Gibbs energy of formation of LuPt3 is −41.1 kJ · mol−1 more negative than that for YbPt3 at 1000 K. Ytterbium is divalent in the pure metal and trivalent in the intermetallic YbPt3. The energy required for the promotion of divalent Yb to the trivalent state is responsible for the less negative ΔfGmo of YbPt3. The enthalpies of formation of the two intermetallics are in reasonable agreement with Miedema's model. Because of the extraordinary stability of these compounds it is possible to reduce oxides of Yb and Lu with hydrogen in the presence of platinum at View the MathML source. The equilibrium chemical potential of oxygen corresponding to the reduction of Yb2O3 and Lu2O3 by hydrogen in the presence of platinum is presented in the form of an Ellingham diagram.

Measurement of the Gibbs energy of formation of URh3 using an oxide solid electrolyte

The Gibbs' energy offormation of the intermetallic compound URh3has been measured in the temperature range 980 to 1320 K using an oxide solid state cell incorporating yttria-doped thoria as the solid electrolyte and a mixture of manganese and manganese oxide as the reference electrode. The cell can be represented as Pt, Mn + MnO I (Y203)Th02 I Rh + URh3 + U02 + x' Rh, Pt The reversible emf of the cell was a linear function of temperature E = 15.60 +0.0237 T (±0.8) mY. Using auxiliary thermodynamic data for MnO and U02+ x the Gibbs' energy of formation of URh3 from component metals has been computed. The results can be expressed by the equation L'.G?< URh3 > = -316240 + 13.22 T (± 3000) J mol-1. The "third-law" enthalpy of formation of URh3at 298 K is -293.2 (± 4) kJ mol-1, significantly more negative than the value of -181.5 kJ mol-1 calculated using Miedema's model.

An Accurate Model for EESM and its Application to Analysis of CQI Feedback Schemes and Scheduling in LTE

The Effective Exponential SNR Mapping (EESM) is an indispensable tool for analyzing and simulating next generation orthogonal frequency division multiplexing (OFDM) based wireless systems. It converts the different gains of multiple subchannels, over which a codeword is transmitted, into a single effective flat-fading gain with the same codeword error rate. It facilitates link adaptation by helping each user to compute an accurate channel quality indicator (CQI), which is fed back to the base station to enable downlink rate adaptation and scheduling. However, the highly non-linear nature of EESM makes a performance analysis of adaptation and scheduling difficult; even the probability distribution of EESM is not known in closed-form. This paper shows that EESM can be accurately modeled as a lognormal random variable when the subchannel gains are Rayleigh distributed. The model is also valid when the subchannel gains are correlated in frequency or space. With some simplifying assumptions, the paper then develops a novel analysis of the performance of LTE's two CQI feedback schemes that use EESM to generate CQI. The comprehensive model and analysis quantify the joint effect of several critical components such as scheduler, multiple antenna mode, CQI feedback scheme, and EESM-based feedback averaging on the overall system throughput.

The generalized Onsager model for the secondary flow in a high-speed rotating cylinder

The generalizations of the Onsager model for the radial boundary layer and the Carrier-Maslen model for the end-cap axial boundary layer in a high-speed rotating cylinder are formulated for studying the secondary gas flow due to wall heating and due to insertion of mass, momentum and energy into the cylinder. The generalizations have wider applicability than the original Onsager and Carrier-Maslen models, because they are not restricted to the limit A >> 1, though they are restricted to the limit R e >> 1 and a high-aspect-ratio cylinder whose length/diameter ratio is large. Here, the stratification parameter A = root m Omega(2)R(2)/2k(B)T). This parameter A is the ratio of the peripheral speed, Omega R, to the most probable molecular speed, root 2k(B)T/m, the Reynolds number Re = rho w Omega R(2)/mu, where m is the molecular mass, Omega and R are the rotational speed and radius of the cylinder, k(B) is the Boltzmann constant, T is the gas temperature, rho(w) is the gas density at wall, and mu is the gas viscosity. In the case of wall forcing, analytical solutions are obtained for the sixth-order generalized Onsager equations for the master potential, and for the fourth-order generalized Carrier-Maslen equation for the velocity potential. For the case of mass/momentum/energy insertion into the flow, the separation-of-variables procedure is used, and the appropriate homogeneous boundary conditions are specified so that the linear operators in the axial and radial directions are self-adjoint. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order and second-order in the radial and axial directions for the Onsager equation, and fourth-order and second-order in the axial and radial directions for the Carrier-Maslen equation) are determined. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations. The comparison reveals that the boundary conditions in the simulations and analysis have to be matched with care. The commonly used `diffuse reflection' boundary conditions at solid walls in DSMC simulations result in a non-zero slip velocity as well as a `temperature slip' (gas temperature at the wall is different from wall temperature). These have to be incorporated in the analysis in order to make quantitative predictions. In the case of mass/momentum/energy sources within the flow, it is necessary to ensure that the homogeneous boundary conditions are accurately satisfied in the simulations. When these precautions are taken, there is excellent agreement between analysis and simulations, to within 10 %, even when the stratification parameter is as low as 0.707, the Reynolds number is as low as 100 and the aspect ratio (length/diameter) of the cylinder is as low as 2, and the secondary flow velocity is as high as 0.2 times the maximum base flow velocity. The predictions of the generalized models are also significantly better than those of the original Onsager and Carrier-Maslen models, which are restricted to thin boundary layers in the limit of high stratification parameter.

Optimal energy management policies for energy harvesting sensor nodes

We study a sensor node with an energy harvesting source. The generated energy can be stored in a buffer. The sensor node periodically senses a random field and generates a packet. These packets are stored in a queue and transmitted using the energy available at that time. We obtain energy management policies that are throughput optimal, i.e., the data queue stays stable for the largest possible data rate. Next we obtain energy management policies which minimize the mean delay in the queue. We also compare performance of several easily implementable sub-optimal energy management policies. A greedy policy is identified which, in low SNR regime, is throughput optimal and also minimizes mean delay.

Role of Nonplanar Peptide Unit in Regular Polypeptide Helices - New Model for Pply-Beta-Benzyl-L-Aspartate

The effect of non-planarity of the peptide unit on helical structures stabilized by intrachain hydrogen bonds is discussed. While the present calculations generally agree with those already reported in the literature for right-handed helical structures, it is found that the most stable left-handed structure is a novel helix, called the delta-helix. Its helical parameters are close to these reported for poly-beta-benzyl-L -aspartate. Conformational energy calculations show that poly-beta-benzyl-L -aspartate with the delta-helical structure is considerably more stable than the structure it is generally believed to take up (the omega-helix) by about 15 kcal/mol-residue.

Quantum fidelity for one-dimensional Dirac fermions and two-dimensional Kitaev model in the thermodynamic limit

We study the scaling behavior of the fidelity (F) in the thermodynamic limit using the examples of a system of Dirac fermions in one dimension and the Kitaev model on a honeycomb lattice. We show that the thermodynamic fidelity inside the gapless as well as gapped phases follow power-law scalings, with the power given by some of the critical exponents of the system. The generic scaling forms of F for an anisotropic quantum critical point for both the thermodynamic and nonthermodynamic limits have been derived and verified for the Kitaev model. The interesting scaling behavior of F inside the gapless phase of the Kitaev model is also discussed. Finally, we consider a rotation of each spin in the Kitaev model around the z axis and calculate F through the overlap between the ground states for the angle of rotation eta and eta + d eta, respectively. We thereby show that the associated geometric phase vanishes. We have supplemented our analytical calculations with numerical simulations wherever necessary.

Quantum fidelity for one-dimensional Dirac fermions and two-dimensional Kitaev model in the thermodynamic limit

We study the scaling behavior of the fidelity (F) in the thermodynamic limit using the examples of a system of Dirac fermions in one dimension and the Kitaev model on a honeycomb lattice.We show that the thermodynamic fidelity inside the gapless as well as gapped phases follow power-law scalings, with the power given by some of the critical exponents of the system. The generic scaling forms of F for an anisotropic quantum critical point for both the thermodynamic and nonthermodynamic limits have been derived and verified for the Kitaev model. The interesting scaling behavior of F inside the gapless phase of the Kitaev model is also discussed. Finally, we consider a rotation of each spin in the Kitaev model around the z axis and calculate F through the overlap between the ground states for the angle of rotation η and η + dη, respectively. We thereby show that the associated geometric phase vanishes. We have supplemented our analytical calculations with numerical simulations wherever necessary

Hypersonic wave drag reduction in re-entry capsules using concentrated energy deposition

Experiments are carried out in a shock tunnel at a nominal Mach number of 5.75 in order to study the effect of concentrated energy deposition on the drag force experienced by a 120° blunt cone. Electrical energy was deposited along the stagnation streamline of the model using a high voltage DC discharge circuit (1.5 – 3.5KW) and the drag force was measured by a single component accelerometer balance. Numerical simulations were also carried complimenting the experiments. These simulations showed a substantial drag reduction (20% ~ 65%) whereas the experiments show no appreciable reduction in drag

Symmetrized DMRG studies of low-energy electronic states of poly-para-phenylene (PPP) and poly-para-phenylenevinylene (PPV) systems

Symmetrized DMRG calculations on long oligomers of poly- para-phenylene (PPP) and poly-para-phenylene vinylene (PPV) systems within a `U-V' model have been carried out to obtain the one-photon, two-photon and singlet-triplet gaps in these systems. The extrapolated gaps (in eV) are 2.89, 3.76 and 2.72 in PPP and 3.01, 3.61 and 2.23 in PPV for the one- photon, two-photon and spin gaps respectively. By studying doped systems, we have obtained the exciton binding energies. The larger exciton binding energies, compared to strongly dimerized linear chains emphasizes the role of topology in these polymers. Bond orders, charge and spin correlations in the low-lying states bring out the similarities between the lowest one-photon, the lowest triplet and the lowest bipolaronic states in these systems. The two-photon state bond orders show evidence for strong localization of this excitation in both PPP and PPV systems.

A k-epsilon model for turbulent weld pool convection in gas metal arc welding process

In this paper, we present a modified k - epsilon model capable of addressing turbulent weld-pool convection in a GMAW process, taking into account the morphology of the phase change interface during a Gas Metal Arc Welding (GMAW) process. A three-dimensional turbulence mathematical model has been developed to study the heat transfer and fluid flow within the weld pool by considering the combined effect of three driving forces, viz., buoyancy, Lorentz force and surface tension (Marangoni convection). Mass and energy transports by the droplets are considered through the thermal analysis of the electrode. The falling droplet's heat addition to the molten pool is considered to be a volumetric heat source distributed in an imaginary cylindrical cavity ("cavity model") within the weld pool. This nature of heat source distribution takes into account the momentum and the thermal, energy of the falling droplets. The numerically predicted weld pool dimensions both from turbulence and laminar models are then compared with the experimental post-weld results sectioned across the weld axis. The above comparison enables us to analyze the overall effects of turbulent convection on the nature of heat and fluid flow and hence on the weld pool shape/size during the arc welding processes.