The binding energies and relative conformational energies of five configurations of the water 16-mer are computed using 61 levels of density functional (DF) theory, 12 methods combining DF theory with molecular mechanics damped dispersion (DF-MM), seven semiempirical- wave function ( SWF) methods, and five methods combining SWF theory with molecular mechanics damped dispersion ( SWF-MM).
Leverentz, Hannah R Qi, Helena W Truhlar, Donald G From this study it therefore appears that the stress wave factor has an excellent potential to monitor damage development in thin composite laminates.Īssessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results. The alternate method for quantifying the SWF used square root of the zeroth moment (square root of M sub o) of the frequency spectrum of the received signal as a quantitative parameter. The SWF number was observed to be the highest when measured along the fiber direction and the lowest when measured across the fibers.
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Agreement between the initial SWF number, ultrasonic C-scan, inplane displacements as obtained by full field moire interferometry, and the failure location have been observed. The conventional SWF and an alternate method for quantifying the SWF were investigated. This study has investigated the potential of the Stress Wave Factor as an NDT technique for thin composite laminates. Two typical SWF signals generated in aluminum plates (overlapping and non-overlapping reflections) are analyzed.Ī study of the stress wave factor technique for the characterization of composite materials Homomorphic signal processing is applied to short-time SWF signals to obtain estimates of the log spectra of individual reflections for cases in which the reflections are overlapped. A summary of the elevant points of homomorphic signal processing, which is also called cepstrum analysis, is given. If the significant reflections are not overlapped, the short-time Fourier analysis is used.
Short-time portions of the SWF signal are considered for obtaining spectral information on individual reflections. The reflection which is generated by the stress waves which travel p times as a longitudinal (P) wave and s times as a shear (S) wave through the plate while reflecting back and forth between the bottom and top faces of the plate is designated as the reflection with p, s. The SWF signal generated in an isotropic elastic plate is modelled as the superposition of successive reflections. The stress wave factor ( SWF) signal, which is the output of an ultrasonic testing system where the transmitting and receiving transducers are coupled to the same face of the test structure, is analyzed in the frequency domain. Application of homomorphic signal processing to stress wave factor analysis
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