Search results for "VIBRATION"
showing 10 items of 823 documents
Structure-dynamics-function relationships in Asian elephant (Elephas maximus) myoglobin. An optical spectroscopy and flash photolysis study on functi…
1993
In this work we report the thermal behavior (10–300 K) of the Soret band lineshape of deoxy and carbonmonoxy derivatives of Asian elephant (Elephas maximus) and horse myoglobins together with their carbon monoxide recombination kinetics after flash photolysis; the results are compared to analogous data relative to sperm whale myoglobin. The Soret band profile is modeled as a Voigt function that accounts for the coupling with high and low frequency vibrational modes, while inhomogeneous broadening is taken into account with suitable distributions of purely electronic transition frequencies. This analysis makes it possible to isolate the various contributions to the overall lineshape that; in…
Controlling ground-state rotational dynamics of molecules by shaped femtosecond laser pulses
2004
We report controlled excitation of ground-state rotational wave packet by pulse-shaping technique. The experiment is conducted in nitrogen $({\mathrm{N}}_{2})$ at room temperature and atmospheric pressure. A femtosecond laser pulse produces rotational coherences in the vibronic ground state of ${\mathrm{N}}_{2}$ through an impulsive Raman process. The laser pulse is tailored using a spatial light modulator producing spectral phase modulation. Periodic phase steps are applied in order to control the excitation of specific rotational Raman transitions. The outcome is the modification of the relative excitation between odd and even rotational states which allows the control of the symmetry and…
Rotational coherence imaging and control for CN molecules through time-frequency resolved coherent anti-Stokes Raman scattering
2011
Numerical wave packet simulations are performed for studying coherent anti-Stokes Raman scattering (CARS) for CN radicals. Electronic coherence is created by femtosecond laser pulses between the X²Σ and B²Σ states. Due to the large energy separation of vibrational states, the wave packets are superpositions of rotational states only. This allows for a specially detailed inspection of the second- and third-order coherences by a two-dimensional imaging approach. We present the time-frequency domain images to illustrate the intra- and intermolecular interferences, and discuss the procedure to rationally control and experimentally detect the interferograms in solid Xe environment. peerReviewed
Competing factors on the frequency separation between the OH stretching modes in water
2015
Abstract Recent simulations demonstrated that the inhomogeneous broadening as observed in the vibrational spectra of liquid water at ambient conditions can be viewed as a large vibrational splitting of symmetric and asymmetric OH stretching modes, due to the asymmetry of the local hydrogen-bonding network [J. Phys. Chem. Lett., 2013, 4(19), pp 3245–3250]. In this work, we show that the finite temperature and the liquid phase do not only modulate the local hydrogen-bonding asymmetry of water molecules, but also the intramolecular coupling strength. These two factors compete together in the determination of the overall magnitude of the frequency separation between the two OH stretching modes …
Multi-Resolution error analysis of predicted absorption coefficients. Method and application to the infrared spectrum of methane at high temperature.
2010
La version V2 inclut les modifications proposées par les reviewers.; International audience; A general method for the estimation of the confidence interval of molecular absorption coefficients is presented. Statistical numerical experiments are implemented to quantify the propagation of errors from line parameters to absorption coefficients or cross-sections as a function of the resolution. The method uses line parameter predictions (position and intensity) with estimated uncertainties derived from global polyad models. This work is especially intended to provide expert information for applications requiring theoretical predictions for which the present state of the art of line by line high…
Optimal passive-damping design using a decentralized velocity-feedback H-infinity approach
2012
In this work, a new strategy to design passive energy dissipation systems for vibration control of large structures is presented. The method is based on the equivalence between passive damping systems and fully decentralized static velocity-feedback controllers. This equivalence allows to take advantage of recent developments in static output-feedback control design to formulate the passive-damping design as a single optimization problem with Linear Matrix Inequality constraints. To illustrate the application of the proposed methodology, a passive damping system is designed for the seismic protection of a five-story building with excellent results. Peer Reviewed
Simple model for the vibrations of embedded elastically cubic nanocrystals
2010
The purpose of this work is to calculate the vibrational modes of an elastically anisotropic sphere embedded in an isotropic matrix. This has important application to understanding the spectra of low-frequency Raman scattering from nanoparticles embedded in a glass matrix. First some low frequency vibrational modes of a free cubically elastic sphere are found to be nearly independent of one combination of elastic constants. This is then exploited to obtain an isotropic approximation for these modes which enables to take into account the surrounding isotropic matrix. This method is then used to quantatively explain recent spectra of gold and copper nanocrystals in glasses.
On the impact of side methyl groups on the structure and vibrational properties of β-carotenoids. The case of butadiene and isoprene
2021
Abstract Theoretical consideration about the impact of methyl groups on the structure and vibrational properties of β-carotenoids, using medium size molecules of trans-butadiene and trans-isoprene, are reported. Density functional theory (DFT) calculations with correlation-consistent and polarization-consistent basis sets were applied to trans-1,3-butadiene and trans-isoprene as the smallest building bricks of β-carotenoids. Their structure and harmonic vibrations were estimated in the complete basis set limit (CBS) using the non-linear least square fit. Optimized geometries and harmonic frequencies, obtained with B3LYP and BLYP density functionals and large basis sets, were favorably repro…
Nonlinear free vibrations of composite structures via the X-Ritz method
2020
The analysis of large amplitude vibrations of thin-walled cracked structures build as plate assembly is considered in this study. The problem is addressed via a Ritz approach, called X-Ritz, based on the first order shear deformation theory and von K´arm´an’s geometric nonlinearity assumptions. The trial functions are expressed as series of regular orthogonal polynomial products supplemented with special functions able to represent the crack behaviour; boundary functions are used to guarantee the fulfillment of the kinematic boundary conditions. Results are presented, which illustrate the influence of cracks on the stiffening effect due to large amplitude vibrations.
Nonlinear free vibrations analysis of cracked composite stiffened plates via X-Ritz approach
2019
Thin and moderately thick composite multi-layered plates are widely employed in naval and aerospace structures. They can experience the presence of cracks, generated for example by corrosion, fatigue or accidental external causes, which aect their static and dynamic behaviour. As regard the dynamic characteristics of plates, many studies have focused on the linear vibration analysis of both isotropic and composite thin and thick plates, providing for a comprehensive knowledge of the plate dynamic behaviour. However, for an accurate appraisal of the plate dynamics, in some applications it is needed to investigate the nonlinear free vibration problem; a literature survey evidences that the la…