971 resultados para SINGLE-MOLECULE MAGNETS


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The controllability grammian is important in many control applications. Given a set of closed-loop eigenvalues the corresponding controllability grammian can be obtained by computing the controller which assigns the eigenvalues and then by solving the Lyapunov equation that defines the grammian. The relationship between the controllability grammian, resulting from state feedback, and the closed-loop eigenvalues of a single input linear time invariant (LTI) system is obtained. The proposed methodology does not require the computation of the controller that assigns the specified eigenvalues. The closed-loop system matrix is obtained from the knowledge of the open-loop system matrix, control influence matrix and the specified closed-loop eigenvalues. Knowing the closed-loop system matrix, the grammian is then obtained from the solution of the Lyapunov equation that defines it. Finally the proposed idea is extended to find the state covariance matrix for a specified set of closed-loop eigenvalues (without computing the controller), due to impulsive input in the disturbance channel and to solve the eigenvalue assignment problem for the single input case.

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The present work describes the evolution of a strong, single-component rotated-Brass ((1 1 0) < 5 5 6 >) texture in an Al-Zn-Mg-Cu-Zr alloy by an uneven hot cross-rolling with frequent interpass annealing. This texture development is unique because hot rolling of aluminum alloys results in orientation distribution along the ``beta-fibre''. It has been demonstrated that the deformation by cross-rolling of a partially recrystallized grain structure having rotated-Cube and Goss orientations, and the recrystallization resistance of near-Brass-oriented elongated grains play a critical role in development of this texture. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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High quality, single-crystalline alpha-MoO3 nanofibers are synthesized by rapid hydrothermal method using a polymeric nitrosyl-complex of molybdenum(II) as molybdenum source without employing catalysts, surfactants, or templates. The possible reaction pathway is decomposition and oxidation of the complex to the polymolybdate and then surface condensation on the energetically favorable 001] direction in the initially formed nuclei of solid alpha-MoO3 under hydrothermal conditions. Highly crystalline alpha-MoO3 nanofibers have grown along 001] with lengths up to several micrometres and widths ranging between 280 and 320 nm. The alpha-MoO3 nanofibers exhibit desirable electrochemical properties such as high capacity reversibility as a cathode material of a Li-ion battery.

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A novel approach for simultaneous measurement of strain and temperature with a single tapered fiber Bragg grating is proposed. This method is based on the fact that the reflectivity at central wavelength of FBG reflection changes with chirp (strain gradient). A diode laser is locked to the central wavelength of FBG reflection. Central wavelength of the FBG shifts with temperature. Change in reflectivity & wavelength of the diode laser were used to measure strain and temperature on the FBG respectively.

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Reaction of the bicyclic phosphazane N5P4Et5Cl2 with 2,6-dimethylphenol and subsequent oxidation of the product by aqueous hydrogen peroxide yields N5P4Et5O4(OC6H3Me2-2,6)2 in 85% yield. Its structure has been established by NMR spectroscopy and single-crystal X-ray diffraction. The compound crystallises in the monoclinic space group C2/c with a= 21.245(5), b= 10.879(2), c= 16.450(6)Å, ?= 123.94(2)°, Z= 4, R= 0.066. The structural features are compared with those of bicyclic ?5-phosphazenes of type N5P4R3(NR1R2)5(NHR3)(R1,R3= Me or Et, R2= H or Me). The observed conformation of the N3P3 rings in the present compound is mainly dictated by the maximisation of the stabilising influence of �negative hyperconjugative interactions� between the nitrogen lone pairs and the adjacent P�X ?* orbitals.

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A novel approach for simultaneous measurement of chirp (any parameter that can induce strain gradient on FBG) and temperature using a single FBG is proposed. Change in reflectivity at central wavelength of FBG reflection & Bragg wavelength shifts induced due to temperature were used for chirp & temperature measurements respectively. Theoretical resolution limit for chirp and temperature using an Optical Spectrum Analyzer (OSA) with 1pm wavelength resolution and >58dB dynamic range are 12.8fm and 1/13 degrees C respectively.

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Many previous studies regarding the estimation of mechanical properties of single walled carbon nanotubes (SWCNTs) report that, the modulus of SWCNTs is chirality, length and diameter dependent. Here, this dependence is quantitatively described in terms of high accuracy curve fit equations. These equations allow us to estimate the modulus of long SWCNTs (lengths of about 100-120 nm) if the value at the prescribed low lengths (lengths of about 5-10 nm) is known. This is supposed to save huge computational time and expense. Also, based on the observed length dependent behavior of SWCNT initial modulus, we predict that, SWCNT mechanical properties such as Young's modulus, secant modulus, maximum tensile strength, failure strength, maximum tensile strain and failure strain might also exhibit the length dependent behavior along with chirality and length dependence. (C) 2010 Elsevier B.V. All rights reserved.

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Effect of constraint (stress triaxiality) on void growth near a notch tip in a FCC single crystal is investigated. Finite element simulations within the modified boundary layer framework are conducted using crystal plasticity constitutive equations and neglecting elastic anisotropy. Displacement boundary conditions based on model, elastic, two term K-T field are applied on the outer boundary of a large circular domain. A pre-nucleated void is considered ahead of a stationary notch tip. The interaction between the notch tip and the void is studied under different constraints (T-stress levels) and crystal orientations. It is found that negative T-stress retards the mechanisms of ductile fracture. However, the extent of retardation depends on the crystal orientation. Further, it is found that there exists a particular orientation which delays the ductile fracture processes and hence can potentially improve ductility. This optimal orientation depends on the constraint level. (C) 2010 Published by Elsevier B.V.

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We report large quadratic nonlinearity in a series of 1:1 molecular complexes between methyl substituted benzene donors and quinone acceptors in solution. The first hyperpolarizability, beta(HRS), which is very small for the individual components, becomes large by intermolecular charge transfer (CT) interaction between the donor and the acceptor in the complex. In addition, we have investigated the geometry of these CT complexes in solution using polarization resolved hyper-Rayleigh scattering (HRS). Using linearly (electric field vector along X direction) and circularly polarized incident light, respectively, we have measured two macroscopic depolarization ratios D = I-2 omega,I-X,I-X/I-2 omega,I-Z,I-X and D' = I-2 omega,I-X,I-C/I-2 omega,I-Z,I-C in the laboratory fixed XYZ frame by detecting the second harmonic scattered light in a polarization resolved fashion. The experimentally obtained first hyperpolarizability, beta(HRS), and the value of macroscopic depolarization ratios, D and D', are then matched with the theoretically deduced values from single and double configuration interaction calculations performed using the Zerner's intermediate neglect of differential overlap self-consistent reaction field technique. In solution, since several geometries are possible, we have carried out calculations by rotating the acceptor moiety around three different axes keeping the donor molecule fixed at an optimized geometry. These rotations give us the theoretical beta(HRS), D and D' values as a function of the geometry of the complex. The calculated beta(HRS), D, and D' values that closely match with the experimental values, give the dominant equilibrium geometry in solution. All the CT complexes between methyl benzenes and chloranil or 1,2-dichloro-4,5-dicyano-p-benzoquinone investigated here are found to have a slipped parallel stacking of the donors and the acceptors. Furthermore, the geometries are staggered and in some pairs, a twist angle as high as 30 degrees is observed. Thus, we have demonstrated in this paper that the polarization resolved HRS technique along with theoretical calculations can unravel the geometry of CT complexes in solution. (C) 2011 American Institute of Physics. doi:10.1063/1.3514922]

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In this letter, a closed-form analytical model for temperature-dependent longitudinal diffusive lattice thermal conductivity (kappa) of a metallic single-walled carbon nanotube (SWCNT) has been addressed. Based on the Debye theory, the second-order three-phonon Umklapp, mass difference (MD), and boundary scatterings have been incorporated to formulate. in both low-and high-temperature regimes. It is proposed that. at low temperature (T) follows the T-3 law and is independent of the second-order three-phonon Umklapp and MD scatterings. The form factor due to MD scattering also plays a key role in the significant variation of. in addition to the SWCNT length. The present diameter-independent model of. agrees well with the available experimental data on suspended intrinsic metallic SWCNTs over a wide range of temperature and can be carried forward for electrothermal analyses of CNT-based interconnects.

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Polycyclic aromatic hydrocarbons (PAHs) are environmental pollutants as well as well-known carcinogens. Therefore, it is important to develop an effective receptor for the detection and quantification of such molecules in solution. In view of this, a 1,3-dinaphthalimide derivative of calix4]arene (L) has been synthesized and characterized, and the structure has been established by single crystal XRD. In the crystal lattice, intermolecular arm-to-arm pi center dot center dot center dot pi overlap dominates and thus L becomes a promising receptor for providing interactions with the aromatic species in solution, which can be monitored by following the changes that occur in its fluorescence and absorption spectra. On the basis of the solution studies carried out with about 17 derivatives of the aromatic guest molecular systems, it may be concluded that the changes that occur in the fluorescence intensity seem to be proportional to the number of aromatic rings present and thus proportional to the extent of pi center dot center dot center dot pi interaction present between the naphthalimide moieties and the aromatic portion of the guest molecule. Though the nonaromatic portion of the guest species affects the fluorescence quenching, the trend is still based on the number of rings present in these. Four guest aldehydes are bound to L with K-ass of 2000-6000 M-1 and their minimum detection limit is in the range of 8-35 mu M. The crystal structure of a naphthaldehyde complex, L.2b, exhibits intermolecular arm-to-arm as well as arm-to-naphthaldehyde pi center dot center dot center dot pi interactions. Molecular dynamics studies of L carried out in the presence of aromatic aldehydes under vacuum as well as in acetonitrile resulted in exhibiting interactions observed in the solid state and hence the changes observed in the fluorescence and absorption spectra are attributable for such interactions. Complex formation has also been delineated through ESI MS studies. Thus L is a promising receptor that can recognize PAHs by providing spectral changes proportional to the aromatic conjugation of the guest and the extent of aromatic pi center dot center dot center dot pi interactions present between L and the guest.

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A holographic optical element (HOE) based single-mode hybrid fiber optic interferometer for realizing the zero-order fringe is described. The HOE proposed and used integrates the actions of a beam combiner and a lens, and endows the interferometer with high tolerance for repositioning errors. The proposed method is simple and offers advantages such as the elimination of in situ processing for the hologram.

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A new method based on analysis of a single diffraction pattern is proposed to measure deflections in micro-cantilever (MC) based sensor probes, achieving typical deflection resolutions of 1nm and surface stress changes of 50 mu N/m. The proposed method employs a double MC structure where the deflection of one of the micro-cantilevers relative to the other due to surface stress changes results in a linear shift of intensity maxima of the Fraunhofer diffraction pattern of the transilluminated MC. Measurement of such shifts in the intensity maxima of a particular order along the length of the structure can be done to an accuracy of 0.01mm leading to the proposed sensitivity of deflection measurement in a typical microcantilever. This method can overcome the fundamental measurement sensitivity limit set by diffraction and pointing stability of laser beam in the widely used Optical Beam Deflection method (OBDM).

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The total synthesis of the unusual sesquiterpene (+/-)-myltayl-4(12)-ene 3 starting from the readily available cyclogeraniol 5 and the single-crystal X-ray structure of the 4-nitrobenzoate 12 of the noralcohol 11 are described.

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The eigenvalue assignment/pole placement procedure has found application in a wide variety of control problems. The associated literature is rather extensive with a number of techniques discussed to that end. In this paper a method for assigning eigenvalues to a Linear Time Invariant (LTI) single input system is proposed. The algorithm determines a matrix, which has eigenvalues at the desired locations. It is obtained from the knowledge of the open-loop system and the desired eigenvalues. Solution of the matrix equation, involving unknown controller gains, open-loop system matrices and desired eigenvalues, results in the state feedback controller. The proposed algorithm requires the closed-loop eigenvalues to be different from those of the open-loop case. This apparent constraint is easily overcome by a negligible shift in the values. Two examples are considered to verify the proposed algorithm. The first one pertains to the in-plane libration of a Tethered Satellite System (TSS) while the second is concerned with control of the short period dynamics of a flexible airplane. Finally, the method is extended to determine the Controllability Grammian, corresponding to the specified closed-loop eigenvalues, without computing the controller gains.