Mesoscopic non-equilibrium thermodynamics approach to non-Debye dielectric relaxation

Mesoscopic non-equilibrium thermodynamics is used to formulate a model describing non-homogeneous and non-Debye dielectric relaxation. The model is presented in terms of a Fokker-Planck equation for the probability distribution of non-interacting polar molecules in contact with a heat bath and in the presence of an external time-dependent electric field. Memory effects are introduced in the Fokker-Planck description through integral relations containing memory kernels, which in turn are used to establish a connection with fractional Fokker-Planck descriptions. The model is developed in terms of the evolution equations for the first two moments of the distribution function. These equations are solved by following a perturbative method from which the expressions for the complex susceptibilities are obtained as a functions of the frequency and the wave number. Different memory kernels are considered and used to compare with experiments of dielectric relaxation in glassy systems. For the case of Cole-Cole relaxation, we infer the distribution of relaxation times and its relation with an effective distribution of dipolar moments that can be attributed to different segmental motions of the polymer chains in a melt.Comment: 33 pages, 6 figure

High-level python abstractions for optimal checkpointing in inversion problems

Inversion and PDE-constrained optimization problems often rely on solving the adjoint problem to calculate the gradient of the objec- tive function. This requires storing large amounts of intermediate data, setting a limit to the largest problem that might be solved with a given amount of memory available. Checkpointing is an approach that can reduce the amount of memory required by redoing parts of the computation instead of storing intermediate results. The Revolve checkpointing algorithm o ers an optimal schedule that trades computational cost for smaller memory footprints. Integrat- ing Revolve into a modern python HPC code and combining it with code generation is not straightforward. We present an API that makes checkpointing accessible from a DSL-based code generation environment along with some initial performance gures with a focus on seismic applications

The CH4_4 abundance in Jupiter's upper atmosphere

Hydrocarbon species, and in particular CH$_4$, play a key role in the stratosphere--thermosphere boundary of Jupiter, which occurs around the $\mu$-bar pressure level. Previous analyses of solar occultation, He and Ly-$\alpha$ airglow, and ISO/SWS measurements of the radiance around 3.3 $\mu$m have inferred significantly different methane concentrations. Here we aim to accurately model the CH$_4$ radiance at 3.3 $\mu$m measured by ISO/SWS by using a comprehensive non-local thermodynamic equilibrium model and the most recent collisional rates measured in the laboratory for CH$_4$ to shed new light onto the methane concentration in the upper atmosphere of Jupiter. These emission bands have been shown to present a peak contribution precisely at the $\mu$-bar level, hence directly probing the region of interest. We find that a high CH$_4$ concentration is necessary to explain the data, in contrast with the most recent analyses, and that the observations favour the lower limit of the latest laboratory measurements of the CH$_4$ collisional relaxation rates. Our results provide precise constraints on the composition and dynamics of the lower atmosphere of Jupiter.Comment: 15 pages; accepted for publication in A&

Imaging in the aftermath of COVID-19: what to expect.

No abstract availabl

Do vibrationally excited OH molecules affect middle and upper atmospheric chemistry?

Except for a few reactions involving electronically excited molecular or atomic oxygen or nitrogen, atmospheric chemistry modelling usually assumes that the temperature dependence of reaction rates is characterized by Arrhenius' law involving kinetic temperatures. It is known, however, that in the upper atmosphere the vibrational temperatures may exceed the kinetic temperatures by several hundreds of Kelvins. This excess energy has an impact on the reaction rates. We have used upper atmospheric OH populations and reaction rate coefficients for OH(<i>v</i>=0...9)+O<sub>3</sub> and OH(<i>v</i>=0...9)+O to estimate the effective (i.e. population weighted) reaction rates for various atmospheric conditions. We have found that the effective rate coefficient for OH(<i>v</i>=0...9)+O<sub>3</sub> can be larger by a factor of up to 1470 than that involving OH in its vibrational ground state only. At altitudes where vibrationally excited states of OH are highly populated, the OH reaction is a minor sink of O<sub>x</sub> and O<sub>3</sub> compared to other reactions involving, e.g., atomic oxygen. Thus the impact of vibrationally excited OH on the ozone or O<sub>x</sub> sink remains small. Among quiescent atmospheres under investigation, the largest while still small (less than 0.1%) effect was found for the polar winter upper stratosphere and mesosphere. The contribution of the reaction of vibrationally excited OH with ozone to the OH sink is largest in the upper polar winter stratosphere (up to 4%), while its effect on the HO<sub>2</sub> source is larger in the lower thermosphere (up to 1.5% for polar winter and 2.5% for midlatitude night conditions). For OH(<i>v</i>=0...9)+O the effective rate coefficients are lower by up to 11% than those involving OH in its vibrational ground state. The effects on the odd oxygen sink are negative and can reach −3% (midlatitudinal nighttime lowermost thermosphere), i.e. neglecting vibrational excitation overestimates the odd oxygen sink. The OH sink is overestimated by up to 10%. After a solar proton event, when upper atmospheric OH can be enhanced by an order of magnitude, the excess relative odd oxygen sink by consideration of vibrational excitation in the reaction of OH(<i>v</i>=0...9)+O<sub>3</sub> is estimated at up to 0.2%, and the OH sink by OH(<i>v</i>=0...9)+O can be reduced by 12% in the thermosphere by vibrational excitation

Carbon monoxide distributions from the upper troposphere to the mesosphere inferred from 4.7 μm non-local thermal equilibrium emissions measured by MIPAS on Envisat

We present global distributions of carbon monoxide (CO) from the upper troposphere to the mesosphere observed by the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on Envisat. Vertically resolved volume mixing ratio profiles have been retrieved from 4.7 μm limb emission spectra under consideration of non-local thermodynamic equilibrium. The precision of individual CO profiles is typically 5–30 ppbv (15–40% for altitudes greater than 40 km and lower than 15 km and 30–90% within 15–40 km). Estimated systematic errors are in the order of 8–15%. Below 60 km, the vertical resolution is 4–7 km. The data set which covers 54 days from September 2003 to March 2004 has been derived with an improved retrieval version including (i) the retrieval of log(vmr), (ii) the consideration of illumination-dependent vibrational population gradients along the instrument's line of sight, and (iii) joint-fitted vmr horizontal gradients in latitudinal and longitudinal directions. A detailed analysis of spatially resolved CO distributions during the 2003/2004 Northern Hemisphere major warming event demonstrate the potential of MIPAS CO observations to obtain new information on transport processes during dynamical active episodes, particularly on those acting in the vertical. From the temporal evolution of zonally averaged CO abundances, we derived extraordinary polar winter descent velocities of 1200 m per day inside the recovered polar vortex in January 2004. Middle stratospheric CO abundances show a well established correlation with the chemical source CH<sub>4</sub>, particularly in the tropics. In the upper troposphere, a moderate CO decrease from September 2003 to March 2004 was observed. Upper tropospheric CO observations provide a detailed picture of long-range transport of polluted air masses and uplift events. MIPAS observations taken on 9–11 September 2003 confirm the trapping of convective outflow of polluted CO-rich air from Southeast Asia into the Asian monsoon anticyclone, which has been described in previous studies. Upper tropospheric CO plumes, observed by MIPAS on this day, were predominantly located in the Northern Hemisphere. Most of these plumes could be related to Southeast Asian pollution by means of backward trajectory calculations. During 20–22 October, southern hemispheric biomass burning was the most likely source of the major CO plumes observed over the Southern Atlantic and Indian Ocean

Comparison of nitric oxide measurements in the mesosphere and lower thermosphere from ACE-FTS, MIPAS, SCIAMACHY, and SMR

We compare the nitric oxide measurements in the mesosphere and lower thermosphere (60 to 150 km) from four instruments: ACE-FTS, MIPAS, SCIAMACHY, and SMR. We use the daily zonal mean data in that altitude range for the years 2004-2010 (ACE-FTS), 2005-2012 (MIPAS), 2008-2012 (SCIAMACHY), and 2003-2012 (SMR). We first compare the data qualitatively with respect to the morphology, focussing on the major features, and then compare the time series directly and quantitatively. In three geographical regions, we compare the vertical density profiles on coincident measurement days. Since none of the instruments delivers continuous daily measurements in this altitude region, we carried out a multi-linear regression analysis. This regression analysis considers annual and semi-annual variability in form of harmonic terms and inter-annual variability by responding linearly to the solar Lyman-alpha; radiation index and the geomagnetic Kp index. This analysis helps to find similarities and differences in the individual data sets with respect to the inter-annual variations caused by geomagnetic and solar variability. We find that the data sets are consistent and that they only disagree on minor aspects. SMR and ACE-FTS deliver the longest time series in the mesosphere and they both agree remarkably well. The shorter time series from MIPAS and SCIAMACHY also agree with them where they overlap. The data agree within ten to twenty percent when the number densities are large, but they can differ by 50 to 100% in some cases

Life Beyond the Solar System: Space Weather and Its Impact on Habitable Worlds

The search of life in the Universe is a fundamental problem of astrobiology and a major priority for NASA. A key area of major progress since the NASA Astrobiology Strategy 2015 (NAS15) has been a shift from the exoplanet discovery phase to a phase of characterization and modeling of the physics and chemistry of exoplanetary atmospheres, and the development of observational strategies for the search for life in the Universe by combining expertise from four NASA science disciplines including heliophysics, astrophysics, planetary science and Earth science. The NASA Nexus for Exoplanetary System Science (NExSS) has provided an efficient environment for such interdisciplinary studies. Solar flares, coronal mass ejections and solar energetic particles produce disturbances in interplanetary space collectively referred to as space weather, which interacts with the Earth upper atmosphere and causes dramatic impact on space and ground-based technological systems. Exoplanets within close in habitable zones around M dwarfs and other active stars are exposed to extreme ionizing radiation fluxes, thus making exoplanetary space weather (ESW) effects a crucial factor of habitability. In this paper, we describe the recent developments and provide recommendations in this interdisciplinary effort with the focus on the impacts of ESW on habitability, and the prospects for future progress in searching for signs of life in the Universe as the outcome of the NExSS workshop held in Nov 29 - Dec 2, 2016, New Orleans, LA. This is one of five Life Beyond the Solar System white papers submitted by NExSS to the National Academy of Sciences in support of the Astrobiology Science Strategy for the Search for Life in the Universe.Comment: 5 pages, the white paper was submitted to the National Academy of Sciences in support of the Astrobiology Science Strategy for the Search for Life in the Univers