Sliding Modes for the Simulation of Mechanical and Electrical Systems Defined by Differential-Algebraic Equations

We offer a technique, motivated by feedback control and specifically sliding mode control, for the simulation of differential-algebraic equations (DAEs) that describe common engineering systems such as constrained multibody mechanical structures and electric networks. Our algorithm exploits the basic results from sliding mode control theory to establish a simulation environment that then requires only the most primitive of numerical solvers. We circumvent the most important requisite for the conventionalsimulation of DAEs: the calculation of a set of consistent initial conditions. Our algorithm, which relies on the enforcement and occurrence of sliding mode, will ensure that the algebraic equation is satisfied by the dynamic system even for inconsistent initial conditions and for all time thereafter. [DOI:10.1115/1.4001904]

Calculation of elastic pinning strength of semicoherent Y2BaCuO5 precipitates in YBa2Cu3O7

The pinning energy due to the elastic interaction of a semicoherent Y2BaCuO5 precipitate with the YBa2Cu3O7 matrix is computed. This is achieved by setting up dislocation arrays at the interface. The elastic stresses generated by such arrays are integrated over a fluxoid volume to obtain the energy. It is seen that this elastic interaction energy makes an additive contribution to the total J(c) value.

A method for the calculation of the adsorbed phase volume and pseudo-saturation pressure from adsorption isotherm data on activated carbon

We propose a new method for evaluating the adsorbed phase volume during physisorption of several gases on activated carbon specimens. We treat the adsorbed phase as another equilibrium phase which satisfies the Gibbs equation and hence assume that the law of rectilinear diameters is applicable. Since invariably the bulk gas phase densities are known along measured isotherms, the constants of the adsorbed phase volume can be regressed from the experimental data. We take the Dubinin-Astakhov isotherm as the model for verifying our hypothesis since it is one of the few equations that accounts for adsorbed phase volume changes. In addition, the pseudo-saturation pressure in the supercritical region is calculated by letting the index of the temperature term in Dubinin's equation to be temperature dependent. Based on over 50 combinations of activated carbons and adsorbates (nitrogen, oxygen, argon, carbon dioxide, hydrocarbons and halocarbon refrigerants) it is observed that the proposed changes fit experimental data quite well.

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.

Microscopic study of the 2/5 fractional quantum Hall edge

This paper reports on our study of the edge of the 2/5 fractional quantum Hall state, which is more complicated than the edge of the 1/3 state because of the presence of edge sectors corresponding to different partitions of composite fermions in the lowest two Lambda levels. The addition of an electron at the edge is a nonperturbative process and it is not a priori obvious in what manner the added electron distributes itself over these sectors. We show, from a microscopic calculation, that when an electron is added at the edge of the ground state in the [N(1), N(2)] sector, where N(1) and N(2) are the numbers of composite fermions in the lowest two Lambda levels, the resulting state lies in either [N(1) + 1, N(2)] or [N(1), N(2) + 1] sectors; adding an electron at the edge is thus equivalent to adding a composite fermion at the edge. The coupling to other sectors of the form [N(1) + 1 + k, N(2) - k], k integer, is negligible in the asymptotically low-energy limit. This study also allows a detailed comparison with the two-boson model of the 2/5 edge. We compute the spectral weights and find that while the individual spectral weights are complicated and nonuniversal, their sum is consistent with an effective two-boson description of the 2/5 edge.

Calculation of Heat of Adsorption of Gases and Refrigerants on Activated Carbons from Direct Measurements Fitted to the Dubinin-Astakhov Equation

The heat of adsorption of methane, ethane, carbon dioxide, R-507a and R-134a on several specimens of microporous activated carbons is derived from experimental adsorption data fitted to the Dubinin-Astakhov equation. These adsorption results are compared with literature data obtained from calorimetric measurements and from the pressure-temperature relation during isosteric heating/cooling. Because the adsorbed phase volume plays an important role, its dependence on temperature and pressure needs to be correctly assessed. In addition, for super-critical gas adsorption, the evaluation of the pseudo-saturation pressure also needs a judicious treatment. Based on the evaluation of carbon dioxide adsorption, it can be seen that sub-critical and super-critical adsorption show different temperature dependences of the isosteric heat of adsorption. The temperature and loading dependence of this property needs to be taken into account while designing practical systems. Some practical implications of these findings are enumerated.

Atomic Structure of Quantum Gold Nanowires: Quantification of the Lattice Strain

Theoretical studies exist to compute the atomic arrangement in gold nanowires and the influence on their electronic behavior with decreasing diameter. Experimental studies, e.g., by transmission electron microscopy, on chemically synthesized ultrafine wires are however lacking owing to the unavailability of suitable protocols for sample preparation and the stability of the wires under electron beam irradiation. In this work, we present an atomic scale structural investigation on quantum single crystalline gold nanowires of 2 nm diameter, chemically prepared on a carbon film grid. Using low dose aberration-corrected high resolution (S)TEM, we observe an inhomogeneous strain distribution in the crystal, largely concentrated at the twin boundaries and the surface along with the presence of facets and surface steps leading to a noncircular cross section of the wires. These structural aspects are critical inputs needed to determine their unique electronic character and their potential as a suitable catalyst material. Furthermore, electron-beam-induced structural changes at the atomic scale, having implications on their mechanical behavior and their suitability as interconnects, are discussed.

Phase-field elasticity model based on mechanical jump conditions

Computational models based on the phase-field method typically operate on a mesoscopic length scale and resolve structural changes of the material and furthermore provide valuable information about microstructure and mechanical property relations. An accurate calculation of the stresses and mechanical energy at the transition region is therefore indispensable. We derive a quantitative phase-field elasticity model based on force balance and Hadamard jump conditions at the interface. Comparing the simulated stress profiles calculated with Voigt/Taylor (Annalen der Physik 274(12):573, 1889), Reuss/Sachs (Z Angew Math Mech 9:49, 1929) and the proposed model with the theoretically predicted stress fields in a plate with a round inclusion under hydrostatic tension, we show the quantitative characteristics of the model. In order to validate the elastic contribution to the driving force for phase transition, we demonstrate the absence of excess energy, calculated by Durga et al. (Model Simul Mater Sci Eng 21(5):055018, 2013), in a one-dimensional equilibrium condition of serial and parallel material chains. To validate the driving force for systems with curved transition regions, we relate simulations to the Gibbs-Thompson equilibrium condition

1D Tight-Binding Models Render Quantum First Passage Time ``Speakable''

The calculation of First Passage Time (moreover, even its probability density in time) has so far been generally viewed as an ill-posed problem in the domain of quantum mechanics. The reasons can be summarily seen in the fact that the quantum probabilities in general do not satisfy the Kolmogorov sum rule: the probabilities for entering and non-entering of Feynman paths into a given region of space-time do not in general add up to unity, much owing to the interference of alternative paths. In the present work, it is pointed out that a special case exists (within quantum framework), in which, by design, there exists one and only one available path (i.e., door-way) to mediate the (first) passage -no alternative path to interfere with. Further, it is identified that a popular family of quantum systems - namely the 1d tight binding Hamiltonian systems - falls under this special category. For these model quantum systems, the first passage time distributions are obtained analytically by suitably applying a method originally devised for classical (stochastic) mechanics (by Schroedinger in 1915). This result is interesting especially given the fact that the tight binding models are extensively used in describing everyday phenomena in condense matter physics.

Increasing ionic conductivity and mechanical strength of a plastic electrolyte by inclusion of a polymer

in this contribution we present a soft matter solid electrolyte which was obtained by inclusion of a polymer (polyacrylonitrile, PAN) in LiClO4/LiTFSI-succinonitrile (SN), a semi-solid organic plastic electrolyte. Addition of the polymer resulted in considerable enhancement in ionic conductivity as well as mechanical strength of LiX-SN (X=ClO4, TFSI) plastic electrolyte. Ionic conductivity of 92.5%-[1 M LiClO4-SN]:7.5%-PAN (PAN amount as per SN weight) composite at 25 degrees C recorded a remarkably high value of 7 x 10(-3) Omega(-1) cm(-1), higher by few tens of order in magnitude compared to 1 M LiClO4-SN. Composite conductivity at sub-ambient temperature is also quite high. At -20 degrees C, the ionic conductivity of (100 -x)%-[1 M LiClO4-SN]:x%-PAN composites are in the range 3 x 10(-5)-4.5 x 10(-4) Omega(-1) cm(-1), approximately one to two orders of magnitude higher with respect to 1 M LiClO4-SN electrolyte conductivity. Addition of PAN resulted in an increase of the Young's modulus (Y) from Y -> 0 for LiClO4-SN to a maximum of 0.4MPa for the composites. Microstructural studies based on X-ray diffraction, differential scanning calorimetry and Fourier transform infrared spectroscopy suggest that enhancement in composite ionic conductivity is a combined effect of decrease in crystallinity and enhanced trans conformer concentration. (c) 2008 Elsevier Ltd. All rights reserved.

Synthesis by mechanical alloying and thermoelectric properties of Cu2Te

Hexagonal Cu-2 Te has been synthesised by mechanical alloying from elemental powders. The milling time required for the synthesis is longer than that reported for other tellurides. The mechanical grinding of the bulk Cu2Te obtained by the melting route does not change the structure. Prolonged milling as well as grinding beyond 40 h lead to a decrease in grain size to nanometer level. The cold compaction of milled or ground powders exhibit much smaller Seebeck coefficient (thermopower). However, cold compaction of samples milled for longer time (>150 h) lead to the thermopower values close to that of the bulk indicating significant improvement of rheological properties at room temperature for powders milled for long times.

The high temperature mechanical characteristics of superplastic 3 mol% yttria stabilized zirconia

A detailed study was undertaken to characterize the deformation behavior of a superplastic 3 mol% yttria-stabilized tetragonal zirconia (3YTZ) over a wide range of strain rates, temperatures and grain sizes. The experimental data were analyzed in terms of the following equation for high temperature deformation: Image Full-size image ∞ σn d−pexp(−Q/RT), where Image Full-size image is the strain rate, σ is the flow stress, d is the grain size, Q is the activation energy, R is the gas constant, T is the absolute temperature, and n and p are constants termed the stress exponent and the inverse grain size exponent, respectively. The experimental data over a wide range of stresses revealed a transition in stress exponent. Deformation in the low and high stress regions was associated with n not, vert, similar 3 and p not, vert, similar 1, and n not, vert, similar 2 and p not, vert, similar 3, respectively. The transition stress between the two regions decreased with increasing grain size. The activation energy was similar for both regions with a value of not, vert, similar 550 kJ mol−1. Microstructural measurements revealed that grains remained essentially equiaxed after the accumulation of large strains, and very limited concurrent grain growths occurred in most experiments. Assessment of possible rate controlling creep mechanisms and comparison with previous studied indicate that in the n not, vert, similar 2 region, deformation occurs by a grain boundary sliding process whose rate is independent of impurity content. Deformation in the n not, vert, similar 3 region is controlled by an interface reaction that is highly sensitive to impurity content. It is concluded that an increase in impurity content increases yttrium segregation to grain boundaries, which enhances the rate of the interface reaction, thereby decreasing the apparent transition stress between the n not, vert, similar 2 and n not, vert, similar 3 regions. This unified approach incorporating two sequential mechanisms can rationalize many of the apparently dissimilar results that have been reported previously for deformation of 3YTZ.

The influence of trace impurities on the mechanical characteristics of a superplastic 2 mol% yttria stabilized zirconia

In contrast to metallic alloys, the mechanical characteristics of superplastic ceramics are very sensitive to minor changes in levels of trace impurities. In the present study, the mechanical behavior of a 2 mol% yttria stabilized tetragonal zirconia was studied in tension and compression in two batches of material, with small variations in levels of trace impurities, to examine the influence of stress axis and impurity content on the deformation behavior. The mechanical properties of the material were characterized in terms of the expression: (epsilon)over dot proportional to sigma(n) where (epsilon)over dot is the strain rate, sigma is the stress and n is termed the stress exponent. The mechanical behavior of the ceramic was identical in tension and compression, for a material with a given level of impurity. The high purity specimens exhibited a transition from a stress exponent of similar to 3 to similar to 2 with an increase in stress, whereas the low purity material displayed only n similar to 2 behavior over the entire stress range studied. Detailed high resolution and analytical electron microscopy studies revealed that there was no amorphous phase at interfaces in both batches of material; however, segregation of Al at interfaces was detected only in the low purity material. The observed transition in stress exponents can be rationalized in terms of two sequential mechanisms: grain boundary sliding with n similar to 2 and interface reaction controlled grain boundary sliding with n similar to 3. The transition from n similar to 3 to similar to 2 occurred at lower stresses with an increase in the grain size and a decrease in the purity level.

Mechanical processing and microstructural control in hot working of hot isostatically pressed P/M IN-100 superalloy

The hot deformation behavior of hot isostatically pressed (HIPd) P/M IN-100 superalloy has been studied in the temperature range 1000-1200 degrees C and strain rate range 0.0003-10 s(-1) using hot compression testing. A processing map has been developed on the basis of these data and using the principles of dynamic materials modelling. The map exhibited three domains: one at 1050 degrees C and 0.01 s(-1), with a peak efficiency of power dissipation of approximate to 32%, the second at 1150 degrees C and 10 s(-1), with a peak efficiency of approximate to 36% and the third at 1200 degrees C and 0.1 s(-1), with a similar efficiency. On the basis of optical and electron microscopic observations, the first domain was interpreted to represent dynamic recovery of the gamma phase, the second domain represents dynamic recrystallization (DRX) of gamma in the presence of softer gamma', while the third domain represents DRX of the gamma phase only. The gamma' phase is stable upto 1150 degrees C, gets deformed below this temperature and the chunky gamma' accumulates dislocations, which at larger strains cause cracking of this phase. At temperatures lower than 1080 degrees C and strain rates higher than 0.1 s(-1), the material exhibits flow instability, manifested in the form of adiabatic shear bands. The material may be subjected to mechanical processing without cracking or instabilities at 1200 degrees C and 0.1 s(-1), which are the conditions for DRX of the gamma phase.

Microstructural evolution and mechanical characteristics in nanocrystalline nickel with a bimodal grain-size distribution

An attractive microstructural possibility for enhancing the ductility of high-strength nanocrystals is to develop a bimodal grain-size distribution, in which the fine grains provide strength, and the coarser grains enable strain hardening. Annealing of nanocrystalline Ni over a range of temperatures and times led to microstructures with varying volume fractions of coarse grains and a change in texture. Tensile tests revealed a drastic reduction in ductility with increasing volume fraction of coarse grains. The reduction in ductility may be related to the segregation of sulphur to grain boundaries.