165 resultados para Quantum mechanical model


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Within the Grassmannian U(2N)/U(N) x U(N) nonlinear sigma-model representation of localization, one can study the low-energy dynamics of both a free and interacting electron gas. We study the crossover between these two fundamentally different physical problems. We show how the topological arguments for the exact quantization of the Hall conductance are extended to include the Coulomb interaction problem. We discuss dynamical scaling and make contact with the theory of variable range hopping. (C) 2005 Pleiades Publishing, Inc.

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A design methodology for wave-absorbing active material system is reported. The design enforces equivalence between an assumed material model having wave-absorbing behavior and a set of target feedback controllers for an array of microelectro-mechanical transducers which are integral part of the active material system. The proposed methodology is applicable to problems involving the control of acoustic waves in passive-active material system with complex constitutive behavior at different length-scales. A stress relaxation type one-dimensional constitutive model involving viscous damping mechanism is considered, which shows asymmetric wave dispersion characteristics about the half-line. The acoustic power flow and asymptotic stability of such material system are studied. A single sensor non-collocated linear feedback control system in a one-dimensional finite waveguide, which is a representative volume element in an active material system, is considered. Equivalence between the exact dynamic equilibrium of these two systems is imposed. It results in the solution space of the design variables, namely the equivalent damping coefficient, the wavelength(s) to be controlled and the location of the sensor. The characteristics of the controller transfer functions and their pole-placement problem are studied. (c) 2005 Elsevier Ltd. All rights reserved.

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Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

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The deterioration of the mechanical properties of bone with age is related to several factors including the structure, organization and chemistry of the constituent phases; however, the relative contribution of each of these factors is not well understood. In this study, we have investigated the effect of chemistry (calcium deficiency) on the mechanical properties of single crystals of hydroxyapatite. Single crystals of stoichiometric crystals grown by the flux method and calcium-deficient platelet crystals grown using wet chemical methods were used as model systems. Using nanoindentation, we show that calcium deficiency leads to an 80% reduction in the hardness and elastic modulus and at least a 75% reduction in toughness in plate-shaped hydroxyapatite crystals. Measurement of local mechanical properties using nanoindentation and nanoscale chemistry through elemental mapping in a transmission electron microscope points to a direct correlation between the observed spatial variation in composition and the large scatter in the measured hardness and modulus values. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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Experimental data on average velocity and turbulence intensity generated by pitched blade downflow turbines (PTD) were presented in Part I of this paper. Part II presents the results of the simulation of flow generated by PTD The standard κ-ε model along with the boundary conditions developed in the Part 1 have been employed to predict the flow generated by PTD in cylindrical baffled vessel. This part describes the new software FIAT (Flow In Agitated Tanks) for the prediction of three dimensional flow in stirred tanks. The basis of this software has been described adequately. The influence of grid size, impeller boundary conditions and values of model parameters on the predicted flow have been analysed. The model predictions successfully reproduce the three dimensionality and the other essential characteristics of the flow. The model can be used to improve the overall understanding about the relative distribution of turbulence by PTD in the agitated tank

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Under hot-forming conditions characterized by high homologous temperatures and strain-rates, metals usually exhibit rate-dependent inelastic behavior. An elastic-viscoplastic constitutive model is presented here to describe metal behavior during hot-forming. The model uses an isotropic internal variable to represent the resistance offered to plastic deformation by the microstructure. Evolution equations are developed for the inelastic strain and the deformation resistance based on experimental results. A methodology is presented for extracting model parameters from constant true strain-rate compression tests performed at different temperatures. Model parameters are determined for an Al-1Mn alloy and an Al-Mg-Si alloy, and the predictions of the model are shown to be in good agreement with the experimental data. (C) 2000 Kluwer Academic Publishers.

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1,2-Enedioic systems, being sterically perturbed from planarity do not show the effect of the extended conjugation expected of a (formal) trienic entity. In the absence of a model which approximates to a uniplanar situation, the strategy of replacing an ester group in the enedioates by a cyano (for which less stringent steric demand may be presumed) and noting the correction concomitant to this replacement was adopted to arrive at a notional figure for the position of maximal absorption in the planar enedioates. From this the conclusion, subject to substantiation by molecular mechanical or quantum chemical calculations, was drawn that even the E-isomeric and comparatively less substituted enedioates are highly sterically perturbed. An alternative to an earlier explanation of the bathochromic shift of absorption maxima encountered in the 5-cyclic ene-ester and ene-nitrile, relative to the 6-cyclic analogues (observed also with the enedioates and cyanovinyl ester systems), seen later to have been based on unwarranted premises, has been advanced. A comment on the absorption characteristics of enedioic anhydrides has been appended.

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Current design models and frameworks describe various overlapping fragments of designing. However, little effort exists in consolidating these fragments into an integrated model. We propose a model of designing that integrates product and process facets of designing by combining activities, outcomes, requirements, and solutions. Validation of the model using video protocols of design sessions demonstrates that all the constructs are used naturally by designers but often not to the expected level, which hinders the variety and resulting novelty of the concepts developed in these sessions. To resolve this, a prescriptive framework for supporting design for variety and novelty is proposed and plans for its implementation are created. DOI: 10.1115/1.3467011]

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In this paper, we focus on the performance of a nanowire field-effect transistor in the ultimate quantum capacitance limit (UQCL) (where only one subband is occupied) in the presence of interface traps (D-it), parasitic capacitance (C-L), and source/drain series resistance (R-s,R-d), using a ballistic transport model and compare the performance with its classical capacitance limit (CCL) counterpart. We discuss four different aspects relevant to the present scenario, namely: 1) gate capacitance; 2) drain-current saturation; 3) subthreshold slope; and 4) scaling performance. To gain physical insights into these effects, we also develop a set of semianalytical equations. The key observations are as follows: 1) A strongly energy-quantized nanowire shows nonmonotonic multiple-peak C-V characteristics due to discrete contributions from individual subbands; 2) the ballistic drain current saturates better in the UQCL than in the CCL, both in the presence and absence of D-it and R-s,R-d; 3) the subthreshold slope does not suffer any relative degradation in the UQCL compared to the CCL, even with Dit and R-s,R-d; 4) the UQCL scaling outperforms the CCL in the ideal condition; and 5) the UQCL scaling is more immune to R-s,R-d, but the presence of D-it and C-L significantly degrades the scaling advantages in the UQCL.

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We apply the method of multiple scales (MMS) to a well-known model of regenerative cutting vibrations in the large delay regime. By ``large'' we mean the delay is much larger than the timescale of typical cutting tool oscillations. The MMS up to second order, recently developed for such systems, is applied here to study tool dynamics in the large delay regime. The second order analysis is found to be much more accurate than the first order analysis. Numerical integration of the MMS slow flow is much faster than for the original equation, yet shows excellent accuracy in that plotted solutions of moderate amplitudes are visually near-indistinguishable. The advantages of the present analysis are that infinite dimensional dynamics is retained in the slow flow, while the more usual center manifold reduction gives a planar phase space; lower-dimensional dynamical features, such as Hopf bifurcations and families of periodic solutions, are also captured by the MMS; the strong sensitivity of the slow modulation dynamics to small changes in parameter values, peculiar to such systems with large delays, is seen clearly; and though certain parameters are treated as small (or, reciprocally, large), the analysis is not restricted to infinitesimal distances from the Hopf bifurcation.

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In this work a physically based analytical quantum threshold voltage model for the triple gate long channel metal oxide semiconductor field effect transistor is developed The proposed model is based on the analytical solution of two-dimensional Poisson and two-dimensional Schrodinger equation Proposed model is extended for short channel devices by including semi-empirical correction The impact of effective mass variation with film thicknesses is also discussed using the proposed model All models are fully validated against the professional numerical device simulator for a wide range of device geometries (C) 2010 Elsevier Ltd All rights reserved

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Proper formulation of stress-strain relations, particularly in tension-compression situations for isotropic biomodulus materials, is an unresolved problem. Ambartsumyan's model [8] and Jones' weighted compliance matrix model [9] do not satisfy the principle of coordinate invariance. Shapiro's first stress invariant model [10] is too simple a model to describe the behavior of real materials. In fact, Rigbi [13] has raised a question about the compatibility of bimodularity with isotropy in a solid. Medri [2] has opined that linear principal strain-principal stress relations are fictitious, and warned that the bilinear approximation of uniaxial stress-strain behavior leads to ill-working bimodulus material model under combined loading. In the present work, a general bilinear constitutive model has been presented and described in biaxial principal stress plane with zonewise linear principal strain-principal stress relations. Elastic coefficients in the model are characterized based on the signs of (i) principal stresses, (ii) principal strains, and (iii) on the value of strain energy component ratio ER greater than or less than unity. The last criterion is used in tension-compression and compression-tension situations to account for different shear moduli in pure shear stress and pure shear strain states as well as unequal cross compliances.

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We introduce a one-dimensional version of the Kitaev model consisting of spins on a two-legged ladder and characterized by Z(2) invariants on the plaquettes of the ladder. We map the model to a fermionic system and identify the topological sectors associated with different Z2 patterns in terms of fermion occupation numbers. Within these different sectors, we investigate the effect of a linear quench across a quantum critical point. We study the dominant behavior of the system by employing a Landau-Zener-type analysis of the effective Hamiltonian in the low-energy subspace for which the effective quenching can sometimes be non-linear. We show that the quenching leads to a residual energy which scales as a power of the quenching rate, and that the power depends on the topological sectors and their symmetry properties in a non-trivial way. This behavior is consistent with the general theory of quantum quenching, but with the correlation length exponent nu being different in different sectors. Copyright (C) EPLA, 2010

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We present an explicit solution of the problem of two coupled spin-1/2 impurities, interacting with a band of conduction electrons. We obtain an exact effective bosonized Hamiltonian, which is then treated by two different methods (low-energy theory and mean-field approach). Scale invariance is explicitly shown at the quantum critical point. The staggered susceptibility behaves like ln(T(K)/T) at low T, whereas the magnetic susceptibility and [S1.S2] are well behaved at the transition. The divergence of C(T)/T when approaching the transition point is also studied. The non-Fermi-liquid (actually marginal-Fermi-liquid) critical point is shown to arise because of the existence of anomalous correlations, which lead to degeneracies between bosonic and fermionic states of the system. The methods developed in this paper are of interest for studying more physically relevant models, for instance, for high-T(c) cuprates.