Search results for "armo"
showing 10 items of 1364 documents
Photoinduced phenomena in corona poled polar organic films.
2005
Abstract Organic materials have received considerable attention because of their large dipole moments and optical nonlinearities. The optically induced switching of material properties is important for studying the optoelectronic effects including second harmonic generation. Organic materials for photonic applications contain chromophore dipole which consist of acceptor and donor groups bridged by a delocalized π-electron system. Both theoretical and experimental data show a reversible highly dipolar photoinduced intra molecular charge transfer in betaine type molecules accompanied by change of the sign and the value of the dipole moment. The arrangement of polar molecules in films is studi…
Direct Evidence of the Amino Acid Side Chain and Backbone Contributions to Protein Anharmonicity
2010
Elastic incoherent neutron scattering has been used to study the temperature dependence of the mean-square displacements of nonexchangeable hydrogen atoms in powders of a series of homomeric polypeptides (polyglycine, polyalanine, polyphenylalanine and polyisoleucine) in comparison with myoglobin at the same hydration level (h = 0.2). The aim of the work was to measure the dynamic behavior of different amino acid residues separately and assess the contribution of each type of side chain to the anharmonic dynamics of proteins. The results provide direct experimental evidence that the first anharmonic activation, at approximately 150 K, is largely due to methyl group rotations entering the ti…
Anharmonic vibrational frequency calculations for solvated molecules in the B3LYP Kohn–Sham basis set limit
2012
Abstract The solvent dependence of harmonic and anharmonic vibrational wavenumbers of water, formaldehyde and formamide was studied using the B3LYP method. The results obtained with the hierarchy of Jensen's polarization-consistent basis sets were fitted with two-parameter formula toward the B3LYP Kohn–Sham complete basis set (CBS) limit. Anharmonic corrections have been obtained by a second order perturbation treatment (VPT2) and vibrational configuration interaction (VCI) method. The solvent environment was treated according to the self-consistent reaction field polarizable continuum model (SCRF PCM) approach.
Modeling of the Low-Frequency Noise in Thermal Lens Spectrometry
1998
The low-frequency noise observed in thermal lens spectrometry (TLS) can be modeled by assuming that the heated region, constituted by the thermal lens gradient and associated convective stream, behaves as a weakly damped harmonic oscillator with a natural frequency, vo, which is forced to move at an externally imposed pump frequency, vp. Out-of-phase lower-frequency oscillations of the TLS signal can be produced both by transient events, such as the beginning of the TLS experiment and small changes in the pump beam stability, and by drift of boundary conditions, such as the temperature of the surroundings. A model is developed and checked using 1-(2-pyridylazo)-2-napthol (PAN) solutions in …
Forced Rayleigh scattering from non-harmonic gratings applied to complex diffusion processes in glass-forming liquids
1999
Abstract Tracer diffusion of 9,10-phenanthrenequinone (PQ) and its photoproduct in super-cooled phenolphthalein-dimethyl-ether (PDE) was studied by forced Rayleigh scattering. In order to investigate the spatial frequency dependence of the grating dynamics, several spatial harmonics of the grating with non-sinusoidal phase profile produced by non-linear recording were monitored. An optical scheme with a diverging reading beam is proposed for simultaneous reconstruction of the harmonic components.
Implementation of local chiral interactions in the hyperspherical harmonics formalism
2021
With the goal of using chiral interactions at various orders to explore properties of the few-body nuclear systems, we write the recently developed local chiral interactions as spherical irreducible tensors and implement them in the hyperspherical harmonics expansion method. We devote particular attention to three-body forces at next-to-next-to leading order, which play an important role in reproducing experimental data. We check our implementation by benchmarking the ground-state properties of $^3$H, $^3$He and $^4$He against the available Monte Carlo calculations. We then confirm their order-by-order truncation error estimates and further investigate uncertainties in the charge radii obta…
Rigid versus Flexible Protein Matrix: Light-Harvesting Complex II Exhibits a Temperature-Dependent Phonon Spectral Density
2018
Dynamics-function correlations are usually inferred when molecular mobility and protein function are simultaneously impaired at characteristic temperatures or hydration levels. In this sense, excitation energy transfer in the photosynthetic light-harvesting complex II (LHC II) is an untypical example because it remains fully functional even at cryogenic temperatures relying mainly on interactions of electronic states with protein vibrations. Here, we study the vibrational and conformational protein dynamics of monomeric and trimeric LHC II from spinach using inelastic neutron scattering (INS) in the temperature range of 20-305 K. INS spectra of trimeric LHC II reveal a distinct vibrational …
Analytical-numerical methods for investigation of hidden oscillations in nonlinear control systems
2011
The method of harmonic linearization, numerical methods, and the applied bifurcation the- ory together discover new opportunities for analysis of oscillations of control systems. In the present survey analytical-numerical algorithms for hidden oscillation localization are discussed. Examples of hidden attrac- tor localization in Chua's circuit and counterexamples construction to Aizerman's conjecture and Kalman's conjecture are considered.
Searches for Large-Scale Anisotropy in the Arrival Directions of Cosmic Rays Detected above Energy of $10^{19}$ eV at the Pierre Auger Observatory an…
2014
Spherical harmonic moments are well-suited for capturing anisotropy at any scale in the flux of cosmic rays. An unambiguous measurement of the full set of spherical harmonic coefficients requires full-sky coverage. This can be achieved by combining data from observatories located in both the northern and southern hemispheres. To this end, a joint analysis using data recorded at the Telescope Array and the Pierre Auger Observatory above 1019 eV is presented in this work. The resulting multipolar expansion of the flux of cosmic rays allows us to perform a series of anisotropy searches, and in particular to report on the angular power spectrum of cosmic rays above 1019 eV. No significant devia…
Solutions of nonlinear PDEs in the sense of averages
2012
Abstract We characterize p-harmonic functions including p = 1 and p = ∞ by using mean value properties extending classical results of Privaloff from the linear case p = 2 to all pʼs. We describe a class of random tug-of-war games whose value functions approach p-harmonic functions as the step goes to zero for the full range 1 p ∞ .