756 research outputs found
On dynamical tunneling and classical resonances
This work establishes a firm relationship between classical nonlinear
resonances and the phenomenon of dynamical tunneling. It is shown that the
classical phase space with its hierarchy of resonance islands completely
characterizes dynamical tunneling and explicit forms of the dynamical barriers
can be obtained only by identifying the key resonances. Relationship between
the phase space viewpoint and the quantum mechanical superexchange approach is
discussed in near-integrable and mixed regular-chaotic situations. For
near-integrable systems with sufficient anharmonicity the effect of multiple
resonances {\it i.e.,} resonance-assisted tunneling can be incorporated
approximately. It is also argued that the, presumed, relation of avoided
crossings to nonlinear resonances does not have to be invoked in order to
understand dynamical tunneling. For molecules with low density of states the
resonance-assisted mechanism is expected to be dominant.Comment: Completely rewritten and expanded version of a previous submission
physics/0410033. 14 pages and 10 figure
Frozen Rotor Approximation in the Mixed Quantum/Classical Theory for Collisional Energy Transfer: Application to Ozone Stabilization
A frozen-rotor approximation is formulated for the mixed quantum/classical theory of collisional energy transfer and ro-vibrational energy flow [M. Ivanov and D. Babikov, J. Chem. Phys.134, 144107 (Year: 2011)]. Numerical tests are conducted to assess its efficiency and accuracy, compared to the original version of the method, where rotation of the molecule in space is treated explicitly and adiabatically. New approach is considerably faster and helps blocking the artificial ro-vibrational transitions at the pre- and post-collisional stages of the process. Although molecular orientation in space is fixed, the energy exchange between rotational, vibrational, and translational digresses of freedom still occurs, allowing to compute ro-vibrational excitation and quenching. Behavior of the energy transfer function through eight orders of magnitude range of values and in a broad range of ÎE is reproduced well. In the range of moderate â500 â©œ ÎE â©œ +500âcmâ1 the approximate method is rather accurate. The absolute values of stabilization cross sections for scattering resonances trapped behind the centrifugal threshold are a factor 2-to-3 smaller (compared to the explicit-rotation approach). This performance is acceptable and similar to the well-known sudden-rotation approximation in the time-independent inelastic scattering methods
Sub-Doppler supersonic jet spectra of the coupled 6a10 and 6b10 vibronic bands of the S1(1B2u) â S0(1A1g) transition in monodeuterobenzene and their rovibrational analysis
Mode-selective vibrational-tunneling dynamics in the N=2 triad of the hydrogen-bonded (HF)2 cluster
Rovibrationally resolved spectra of the Nj=22, Ka=0â1 transition and of the Nj=23, Ka=0â0 and Ka=1â0 transitions of the hydrogen-bonded (HF)2 have been measured in the near infrared range near 1.3â
ÎŒm by cw-diode laser cavity ring-down spectroscopy in a pulsed supersonic slit jet expansion. The spectroscopic assignment and analysis provided an insight into the dynamics of these highly-excited vibrational states, in particular concerning the predissociation of the hydrogen bond and the tunneling process of the hydrogen bond switching. Together with our previously analyzed spectra of the Nj=21 and Nj=22 components, the mode-specific dynamics in all three components of this triad can now be compared. In the N=2 triad, the HF-stretching vibration is excited by two quanta with similar excitation energy, but the quanta are distributed in three different ways, which has a distinct influence on the dynamics. The observed band centers and tunneling splittings are in agreement with our recent calculations on the (HF)2 potential energy hypersurface SO-3, resolving the long-standing discussion about the symmetry ordering of polyad levels in this overtone region. The results are also discussed in relation to the general questions of non-statistical reaction dynamics of polyatomic molecules and clusters and in relation to quasi-adiabatic channel above barrier tunneling
Two regularizations - two different models of Nambu-Jona-Lasinio
Two variants of the Nambu--Jona-Lasinio model -- the model with 4-dimensional
cutoff and the model with dimensionally-analytical regularization -- are
systematically compared. It is shown that they are, in essence, two different
models of light-quark interaction. In the mean-field approximation the
distinction becomes apparent in a behavior of scalar amplitude near the
threshold. For 4-dimensional cutoff the pole term can be extracted, which
corresponds to sigma-meson. For dimensionally-analytical regularization the
singularity of the scalar amplitude is not pole, and this singularity is quite
disappeared at some value of the regularization parameter.
Still more essential distinction of these models exists in the
next-to-leading order of mean-field expansion. The calculations of meson
contributions in the quark chiral condensate and in the dynamical quark mass
demonstrate, that these contributions though their relatively smallness can
destabilize the Nambu--Jona-Lasinio model with 4-dimensional cutoff. On the
contrary, the Nambu--Jona-Lasinio model with dimensionally-analytical
regularization is stabilized with the next-to-leading order, i.e. the value of
the regularization parameter shifts to the stability region, where these
contributions decrease.Comment: 14 pages; Journal version; parameter fixing procedure is modifie
Pion damping width from SU(2) x SU(2) NJL model
Within the framework of the NJL model, we investigate the modification of the
pion damping width in a hot pion gas for temperatures ranging from 0 to 180
MeV. The pion is found to broaden noticeably at T > 60 MeV. Near the chiral
phase transition T ~ 180 MeV, the pion width is saturated and amounts to 70
MeV. The main contribution to the width comes from pion-pion collisions. Other
contributions are found negligibly small.Comment: LaTeX2e, 13 pages, 2 figure
Chiral restoration effects on the shear viscosity of a pion gas
We investigate the shear viscosity of a pion gas in relativistic kinetic
theory, using the Nambu-Jona-Lasinio model to construct the pion mass and the
pi-pi interaction at finite temperature. Whereas at low temperatures the
scattering properties and, hence, the viscosity are in agreement with
lowest-order chiral perturbation theory, we find strong medium modifications in
the crossover region. Here the system is strongly coupled and the scattering
lengths diverge, similarly as for ultra-cold Fermi gases at a Feshbach
resonance. As a consequence, the ratio eta/s is found to be strongly reduced as
compared to calculations without medium-modified masses and scattering
amplitudes. However, the quantitative results are very sensitive to the details
of the applied approximations.Comment: 15 pages, 12 figures; v2: extended discussions of the dressed sigma
propagator and the low-temperature limit, typos corrected, accepted versio
Modelling marine emissions and atmospheric distributions of halocarbons and dimethyl sulfide: the influence of prescribed water concentration vs. prescribed emissions
Marine-produced short-lived trace gases such as dibromomethane (CH2Br2), bromoform (CHBr3), methyliodide (CH3I) and dimethyl sulfide (DMS) significantly impact tropospheric and stratospheric chemistry. Describing their marine emissions in atmospheric chemistry models as accurately as possible is necessary to quantify their impact on ozone depletion and Earth's radiative budget. So far, marine emissions of trace gases have mainly been prescribed from emission climatologies, thus lacking the interaction between the actual state of the atmosphere and the ocean. Here we present simulations with the chemistry climate model EMAC (ECHAM5/MESSy Atmospheric Chemistry) with online calculation of emissions based on surface water concentrations, in contrast to directly prescribed emissions. Considering the actual state of the model atmosphere results in a concentration gradient consistent with model real-time conditions at the ocean surface and in the atmosphere, which determine the direction and magnitude of the computed flux. This method has a number of conceptual and practical benefits, as the modelled emission can respond consistently to changes in sea surface temperature, surface wind speed, sea ice cover and especially atmospheric mixing ratio. This online calculation could enhance, dampen or even invert the fluxes (i.e. deposition instead of emissions) of very short-lived substances (VSLS). We show that differences between prescribing emissions and prescribing concentrations (â28 % for CH2Br2 to +11 % for CHBr3) result mainly from consideration of the actual, time-varying state of the atmosphere. The absolute magnitude of the differences depends mainly on the surface ocean saturation of each particular gas. Comparison to observations from aircraft, ships and ground stations reveals that computing the airâsea flux interactively leads in most of the cases to more accurate atmospheric mixing ratios in the model compared to the computation from prescribed emissions. Calculating emissions online also enables effective testing of different airâsea transfer velocity (k) parameterizations, which was performed here for eight different parameterizations. The testing of these different k values is of special interest for DMS, as recently published parameterizations derived by direct flux measurements using eddy covariance measurements suggest decreasing k values at high wind speeds or a linear relationship with wind speed. Implementing these parameterizations reduces discrepancies in modelled DMS atmospheric mixing ratios and observations by a factor of 1.5 compared to parameterizations with a quadratic or cubic relationship to wind spee
Effects of mesonic correlations in the QCD phase transition
The finite temperature phase transition of strongly interacting matter is
studied within a nonlocal chiral quark model of the NJL type coupled to a
Polyakov loop. In contrast to previous investigations which were restricted to
the mean-field approximation, mesonic correlations are included by evaluating
the quark-antiquark ring sum. For physical pion masses, we find that the pions
dominate the pressure below the phase transition, whereas above T_c the
pressure is well described by the mean-field approximation result. For large
pion masses, as realized in lattice simulations, the meson effects are
suppressed.Comment: 11 pages, 4 figures; version accepted for publication in Yad. Fiz.,
text extended, 1 figure adde
Sources of short-lived bromocarbons in the Iberian upwelling system
Seawater concentrations of the four brominated trace gases dibromomethane (CH2Br2), bromodichloromethane (CHBrCl2), dibromochloromethane (CHBr2Cl) and bromoform (CHBr3) were measured at different depths of the water column in the Iberian upwelling off Portugal during summer 2007. Bromocarbon concentrations showed elevated values in recently upwelled and aged upwelled waters (mean values of 30 pmol Lâ1 for CHBr3), while values in the open ocean were significantly lower (7.4 pmol Lâ1 for CHBr3). Correlations with biological variables and marker pigments indicated that phytoplankton could be identified as a weak bromocarbon source in the open ocean. In upwelled water masses along the coast, halocarbons were not correlated to Chl-a, indicating an external source, overlapping the possible internal production by phytoplankton. We showed that the tidal frequency had a significant influence on halocarbon concentrations in the upwelling and we linked those findings to a strong intertidal coastal source, as well as to a transport of those halocarbon enriched coastal waters by westward surface upwelling currents. Coastal sources and transport can be accounted for maximum values of up to 185.1 pmol Lâ1 CHBr3 in the upwelling.
Comparison with other productive marine areas revealed that the Iberian upwelling had stronger halocarbon sources than the phytoplankton dominated sources in the Mauritanian upwelling. However, the concentrations off the Iberian Peninsula were still much lower than those of coastal macroalgal influenced waters or those of polar regions dominated by cold water adapted diatom
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