Search results for " vibration"
showing 10 items of 296 documents
Electrically switchable magnetic exchange in the vibronic model of linear mixed valence triferrocenium complex
2018
In this article, we report our development of a vibronic model for the electric-field control of antiferromagnetic superexchange in the mixed-valence (MV) triferrocenium complex FeIII-FeII-FeIII proposed as a possible candidate for the molecular implementation of a quantum logic gate. Along with the electronic interactions, such as electron transfer between the iron ions in different oxidation degrees and Coulomb repulsion of the extra holes, the proposed model of the triferrocenium complex also takes into account the vibronic coupling as an inherent ingredient of the problem of mixed valency. The latter is described by the conventional Piepho-Krauzs-Shatz (PKS) model adapted to the linear …
The Influence of Particular Modes of Vibration
1986
When vibration stress occurs at the place of work, 1, 2, or 3 directions of the coordinate system related to man, or vectors of these axes, can be involved (Fig. 1). In such multiaxial vibration, the stress may predominate in one direction or may have similar magnitudes in all directions. In addition, rotational vibration about these axes may also take place (see section “Rotational Vibration,” p. 125).
Direct theoretical evidence of nuclear motion in H+2by means of high harmonic generation
2007
The numerical solution of the time-dependent Schro ̈dinger equation for vibrating hydrogen molecular ions in many-cycle laser pulses shows that high- order harmonic generation is sensitive to laser-induced molecular vibrations. In particular, the odd harmonic lines in the emitted spectra are surrounded by additional regular peaks whose spacing is given by the vibrational frequency of the nuclei motion. Analytical theory relates these satellite peaks to the molecular vibrations in terms of an approximated effective potentials. These results are not affected by the dimensionality of the system.
Sound attenuation and anharmonic damping in solids with correlated disorder
2010
We study via self-consistent Born approximation a model for sound waves in a disordered environment, in which the local fluctuations of the shear modulus G are spatially correlated with a certain correlation length The theory predicts an enhancement of the density of states over Debye's omega(2) law (boson peak) whose intensity increases for increasing correlation length, and whose frequency position is shifted downwards as lg. Moreover, the predicted disorder-induced sound attenuation coefficient r(k) obeys a universal scaling law F(k) = f (ke) for a given variance of G. Finally, the inclusion of the lowest-order contribution to the anharmonic sound damping into the theory allows us to rec…
X-Ritz Solution for Nonlinear Free Vibrations of Plates with Embedded Cracks
2019
The analysis of large amplitude vibrations of cracked plates is considered in this study. The problem is addressed via a Ritz approach based on the first-order shear deformation theory and von Karman’s geometric nonlinearity assumptions. The trial functions are built as series of regular orthogonal polynomial products supplemented with special functions able to represent the crack behaviour (which motivates why the method is dubbed as eXtended Ritz); boundary functions are used to guarantee the fulfillment of the kinematic boundary conditions along the plate edges. Convergence and accuracy are assessed to validate the approach and show its efficiency and potential. Original results are then…
Rovibrational structure of the Ar–CO complex based on a novel three-dimensional ab initio potential
2002
The first three-dimensional ab initio intermolecular potential energy surface of the Ar–CO van der Waals complex is calculated using the coupled cluster singles and doubles including connected triples model and the augmented correlation-consistent polarized valence quadruple zeta (aug-cc-pVQZ) basis set extended with a (3s3p2d1f1g) set of midbond functions. The three-dimensional surface is averaged over the three lowest vibrational states of CO. Rovibrational energies are calculated up to 50 cm−1 above the ground state, thus enabling comprehensive comparison between theory and available experimental data as well as providing detailed guidance for future spectroscopic investigations of highe…
Sorveglianza sanitaria su un gruppo di lavoratori esposti a vibrazioni mano-braccio
2007
Nei lavoratori esposti a rischio da vibrazioni mano-braccio è indispensabile un’efficace sorveglianza sanitaria in linea con la recente normativa in materia, a garanzia della salute e della sicurezza nei luoghi di lavoro. In particolare abbiamo esaminato un gruppo di soggetti addetti alla manutenzione di aree verdi applicando le linee guida più recenti e la vigente normativa in tema di prevenzione(1,3) . As concerns those workers exposed to a risk of hand-arm vibration, an efficacious sanitary monitoring is necessary, according to recent norms, in order to assure health and secu - rity in workplaces. We have examined a group of people assigned to the maintenance of green spaces, applying th…
Short hydrogen bonds enhance non-aromatic protein-related fluorescence
2020
AbstractFluorescence in biological systems is usually associated with the presence of aromatic groups. Here, we show that specific hydrogen bonding networks can significantly affect fluorescence employing a combined experimental and computational approach. In particular, we reveal that the single amino acid L-glutamine, by undergoing a chemical transformation leading to the formation of a short hydrogen bond, displays optical properties that are significantly enhanced compared to L-glutamine itself. Ab initio molecular dynamics simulations highlight that these short hydrogen bonds prevent the appearance of a conical intersection between the excited and the ground states and thereby signific…
Effects Of Whole Body Vibration In Patients With Chronic Obstructive Pulmonary Disease - A Randomized Controlled Trial
2012
Summary Introduction To date endurance and strength training are established and evidence-based exercise methods in patients with chronic obstructive pulmonary disease (COPD). There is an unmet need for further research in new and complementary exercise modalities. Additional whole body vibration training during pulmonary rehabilitation may be such a new approach that has not yet been investigated in patients with COPD. Methods Eighty-two patients (65 ± 9 yrs, FEV 1 pred. 38 ± 11%, female 51%) with COPD in GOLD stage III to IV assessed for a 3-week inpatient multidisciplinary rehabilitation program were on top randomly assigned to one of two intervention groups: (1) 3 × 3 min of bilateral d…
Electronic and vibrational properties of meso-tetraphenylporphyrin on silver substrates.
2014
The electronic and vibrational properties of meso-tetraphenylporphyrin (mtpp) on silver substrates are investigated using UV–vis and surface-enhanced resonance Raman scattering (SERRS) spectroscopy. Whereas the vibrational signatures associated with the tetrapyrrole backbone exhibit minor variations throughout sequences of consecutively recorded SERRS spectra, the C═C stretching vibrational modes localized on the meso-phenyl moieties of mtpp exhibit noticeable intensity fluctuations, masked in the average SERRS response. We attribute the observed vibrational-state-specific blinking events to conformational changes in mtpp, namely, torsional flexibility which mediates the coupling between th…