Development of the adjoint of GEOS-Chem

We present the adjoint of the global chemical transport model GEOS-Chem, focusing on the chemical and thermodynamic relationships between sulfate – ammonium – nitrate aerosols and their gas-phase precursors. The adjoint model is constructed from a combination of manually and automatically derived discrete adjoint algorithms and numerical solutions to continuous adjoint equations. Explicit inclusion of the processes that govern secondary formation of inorganic aerosol is shown to afford efficient calculation of model sensitivities such as the dependence of sulfate and nitrate aerosol concentrations on emissions of SOx, NOx, and NH3. The adjoint model is extensively validated by comparing adjoint to finite difference sensitivities, which are shown to agree within acceptable tolerances; most sets of comparisons have a nearly 1:1 correlation and R2>0.9. We explore the robustness of these results, noting how insufficient observations or nonlinearities in the advection routine can degrade the adjoint model performance. The potential for inverse modeling using the adjoint of GEOS-Chem is assessed in a data assimilation framework through a series of tests using simulated observations, demonstrating the feasibility of exploiting gas- and aerosol-phase measurements for optimizing emission inventories of aerosol precursors

Inverse modeling and mapping US air quality influences of inorganic PM_(2.5) precursor emissions using the adjoint of GEOS-Chem

Influences of specific sources of inorganic PM_(2.5) on peak and ambient aerosol concentrations in the US are evaluated using a combination of inverse modeling and sensitivity analysis. First, sulfate and nitrate aerosol measurements from the IMPROVE network are assimilated using the four-dimensional variational (4D-Var) method into the GEOS-Chem chemical transport model in order to constrain emissions estimates in four separate month-long inversions (one per season). Of the precursor emissions, these observations primarily constrain ammonia (NH_3). While the net result is a decrease in estimated US~NH_3 emissions relative to the original inventory, there is considerable variability in adjustments made to NH_3 emissions in different locations, seasons and source sectors, such as focused decreases in the midwest during July, broad decreases throughout the US~in January, increases in eastern coastal areas in April, and an effective redistribution of emissions from natural to anthropogenic sources. Implementing these constrained emissions, the adjoint model is applied to quantify the influences of emissions on representative PM_(2.5) air quality metrics within the US. The resulting sensitivity maps display a wide range of spatial, sectoral and seasonal variability in the susceptibility of the air quality metrics to absolute emissions changes and the effectiveness of incremental emissions controls of specific source sectors. NH_3 emissions near sources of sulfur oxides (SO_x) are estimated to most influence peak inorganic PM_(2.5) levels in the East; thus, the most effective controls of NH_3 emissions are often disjoint from locations of peak NH_3 emissions. Controls of emissions from industrial sectors of SO_x and NO_x are estimated to be more effective than surface emissions, and changes to NH_3 emissions in regions dominated by natural sources are disproportionately more effective than regions dominated by anthropogenic sources. NOx controls are most effective in northern states in October; in January, SO_x controls may be counterproductive. When considering ambient inorganic PM_(2.5) concentrations, intercontinental influences are small, though transboundary influences within North America are significant, with SO_x emissions from surface sources in Mexico contributing almost a fourth of the total influence from this sector

Impact of the isoprene photochemical cascade on tropical ozone

Tropical tropospheric ozone affects Earth's radiative forcing and the oxidative capacity of the atmosphere. Considerable work has been devoted to the study of the processes controlling its budget. Yet, large discrepancies between simulated and observed tropical tropospheric ozone remain. Here, we characterize some of the mechanisms by which the photochemistry of isoprene impacts the budget of tropical ozone. At the regional scale, we use forward sensitivity simulation to explore the sensitivity to the representation of isoprene nitrates. We find that isoprene nitrates can account for up to 70% of the local NO_x = NO+NO_2 sink. The resulting modulation of ozone can be well characterized by their net modulation of NO_x. We use adjoint sensitivity simulations to demonstrate that the oxidation of isoprene can affect ozone outside of continental regions through the transport of NO_x over near-shore regions (e.g., South Atlantic) and the oxidation of isoprene outside of the boundary layer far from its emissions regions. The latter mechanism is promoted by the simulated low boundary-layer oxidative conditions. In our simulation, ~20% of the isoprene is oxidized above the boundary layer in the tropics. Changes in the interplay between regional and global effect are discussed in light of the forecasted increase in anthropogenic emissions in tropical regions

Development of the adjoint of GEOS-Chem

International audienceWe present the adjoint of the global chemical transport model GEOS-Chem, focusing on the chemical and thermodynamic relationships between sulfate ? ammonium ? nitrate aerosols and their gas-phase precursors. The adjoint model is constructed from a combination of manually and automatically derived discrete adjoint algorithms and numerical solutions to continuous adjoint equations. Explicit inclusion of the processes that govern secondary formation of inorganic aerosol is shown to afford efficient calculation of model sensitivities such as the dependence of sulfate and nitrate aerosol concentrations on emissions of SOx, NOx, and NH3. The accuracy of the adjoint model is extensively verified by comparing adjoint to finite difference sensitivities, which are shown to agree within acceptable tolerances. We explore the robustness of these results, noting how discontinuities in the advection routine hinder, but do not entirely preclude, the use of such comparisons for validation of the adjoint model. The potential for inverse modeling using the adjoint of GEOS-Chem is assessed in a data assimilation framework using simulated observations, demonstrating the feasibility of exploiting gas- and aerosol-phase measurements for optimizing emission inventories of aerosol precursors

Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways

Formation of SOA from the aromatic species toluene, xylene, and, for the first time, benzene, is added to a global chemical transport model. A simple mechanism is presented that accounts for competition between low and high-yield pathways of SOA formation, wherein secondary gas-phase products react further with either nitrogen oxide (NO) or hydroperoxy radical (HO2) to yield semi- or non-volatile products, respectively. Aromatic species yield more SOA when they react with OH in regions where the [NO]/[HO2] ratios are lower. The SOA yield thus depends upon the distribution of aromatic emissions, with biomass burning emissions being in areas with lower [NO]/[HO2] ratios, and the reactivity of the aromatic with respect to OH, as a lower initial reactivity allows transport away from industrial source regions, where [NO]/[HO2] ratios are higher, to more remote regions, where this ratio is lower and, hence, the ultimate yield of SOA is higher. As a result, benzene is estimated to be the most important aromatic species with regards to formation of SOA, with a total production nearly equal that of toluene and xylene combined. In total, while only 39% percent of the aromatic species react via the low-NOx pathway, 72% of the aromatic SOA is formed via this mechanism. Predicted SOA concentrations from aromatics in the Eastern United States and Eastern Europe are actually largest during the summer, when the [NO]/[HO2] ratio is lower. Global production of SOA from aromatic sources is estimated at 3.5 Tg/yr, resulting in a global burden of 0.08 Tg, twice as large as previous estimates. The contribution of these largely anthropogenic sources to global SOA is still small relative to biogenic sources, which are estimated to comprise 90% of the global SOA burden, about half of which comes from isoprene. Compared to recent observations, it would appear there are additional pathways beyond those accounted for here for production of anthropogenic SOA. However, owing to differences in spatial distributions of sources and seasons of peak production, there are still regions in which aromatic SOA produced via the mechanisms identified here are predicted to contribute substantially to, and even dominate, the local SOA concentrations, such as outflow regions from North America and South East Asia during the wintertime, though total SOA concentrations there are small (~0.1 μg/m^³)

Origin and radiative forcing of black carbon transported to the Himalayas and Tibetan Plateau

The remote and high elevation regions of central Asia are influenced by black carbon (BC) emissions from a variety of locations. BC deposition contributes to melting of glaciers and questions exist, of both scientific and policy interest, as to the origin of the BC reaching the glaciers. We use the adjoint of the GEOS-Chem model to identify the location from which BC arriving at a variety of locations in the Himalayas and Tibetan Plateau originates. We then calculate its direct and snow-albedo radiative forcing. We analyze the seasonal variation in the origin of BC using an adjoint sensitivity analysis, which provides a detailed map of the location of emissions that directly contribute to black carbon concentrations at receptor locations. We find that emissions from northern India and central China contribute the majority of BC to the Himalayas, although the precise location varies with season. The Tibetan Plateau receives most BC from western and central China, as well as from India, Nepal, the Middle East, Pakistan and other countries. The magnitude of contribution from each region varies with season and receptor location. We find that sources as varied as African biomass burning and Middle Eastern fossil fuel combustion can significantly contribute to the BC reaching the Himalayas and Tibetan Plateau. We compute radiative forcing in the snow-covered regions and find the forcing due to the BC induced snow-albedo effect to vary from 5–15 W m<sup>−2</sup> within the region, an order of magnitude larger than radiative forcing due to the direct effect, and with significant seasonal variation in the northern Tibetan Plateau. Radiative forcing from reduced snow albedo likely accelerates glacier melting. Our analysis may help inform mitigation efforts to slow the rate of glacial melt by identifying regions that make the largest contributions to BC deposition in the Himalayas and Tibetan Plateau

J004457+4123 (Sharov 21): not a remarkable nova in M31 but a background quasar with a spectacular UV flare

We announce the discovery of a quasar behind the disk of M31, which was previously classified as a remarkable nova in our neighbour galaxy. The paper is primarily aimed at the outburst of J004457+4123 (Sharov 21), with the first part focussed on the optical spectroscopy and the improvement in the photometric database. Both the optical spectrum and the broad band spectral energy distribution of Sharov 21 are shown to be very similar to that of normal, radio-quiet type 1 quasars. We present photometric data covering more than a century and resulting in a long-term light curve that is densely sampled over the past five decades. The variability of the quasar is characterized by a ground state with typical fluctuation amplitudes of ~0.2 mag around B~20.5, superimposed by a singular flare of ~2 yr duration (observer frame) with the maximum at 1992.81 where the UV flux has increased by a factor of ~20. The total energy in the flare is at least three orders of magnitudes higher than the radiated energy of the most luminous supernovae, provided that it comes from an intrinsic process and the energy is radiated isotropically. The profile of the flare light curve appears to be in agreement with the standard predictions for a stellar tidal disruption event where a ~10 M_sun giant star was shredded in the tidal field of a ~2...5 10^8 M_sun black hole. The short fallback time derived from the light curve requires an ultra-close encounter where the pericentre of the stellar orbit is deep within the tidal disruption radius. Gravitational microlensing provides an alternative explanation, though the probability of such a high amplification event is very low.Comment: Accepted for publication in Astronomy and Astrophysics, 14 pages, 11 figure

Deep XMM-Newton observations of the northern disc of M31. I. Source catalogue

We carried out new observations of two fields in the northern ring of M31 with XMM-Newton with two exposures of 100 ks each and obtained a complete list of X-ray sources down to a sensitivity limit of ~7 x 10^34 erg s^-1 (0.5 - 2.0 keV). The major objective of the observing programme was the study of the hot phase of the ISM in M31. The analysis of the diffuse emission and the study of the ISM is presented in a separate paper. We analysed the spectral properties of all detected sources using hardness ratios and spectra if the statistics were high enough. We also checked for variability. We cross-correlated the source list with the source catalogue of a new survey of the northern disc of M31 carried out with Chandra and Hubble (Panchromatic Hubble Andromeda Treasury, PHAT) as well as with other existing catalogues. We detected a total of 389 sources, including 43 foreground stars and candidates and 50 background sources. Based on the comparison to the Chandra/PHAT survey, we classify 24 hard X-ray sources as new candidates for X-ray binaries (XRBs). In total, we identified 34 XRBs and candidates and 18 supernova remnants (SNRs) and candidates. Three of the four brightest SNRs show emission mainly below 2 keV, consistent with shocked ISM. The spectra of two of them also require an additional component with a higher temperature. The SNR [SPH11] 1535 has a harder spectrum and might suggest that there is a pulsar-wind nebula inside the SNR. We find five new sources showing clear time variability. We also studied the spectral properties of the transient source SWIFT J004420.1+413702, which shows significant variation in flux over a period of seven months (June 2015 to January 2016) and associated change in absorption. Based on the likely optical counterpart detected in the Chandra/PHAT survey, the source is classified as a low-mass X-ray binary.Comment: Accepted for publication in A&

Supersoft X-rays reveal a classical nova in the M 31 globular cluster Bol 126

[Abridged] Classical novae (CNe) represent the main class of supersoft X-ray sources (SSSs) in the central region of our neighbouring galaxy M 31. Only three confirmed novae and three SSSs have been discovered in globular clusters (GCs) of any galaxy so far, of which one nova and two SSSs (including the nova) were found in M 31 GCs. To study the SSS state of CNe we carried out a high-cadence X-ray monitoring of the M 31 central area with XMM-Newton and Chandra. We analysed X-ray and optical data of a new transient X-ray source in the M 31 GC Bol 126, discovered serendipitously in Swift observations. Our optical data set was based on regular M 31 monitoring programmes from five different small telescopes. Additionally, we made use of Pan-STARRS 1 data obtained during the PAndromeda survey. Our observations reveal that the X-ray source in Bol 126 is the third SSS in an M 31 GC and can be confirmed as the second CN in the M 31 GC system. This nova is named M31N 2010-10f. Its properties in the X-ray and optical regimes agree with a massive white dwarf (M_WD >~ 1.3 M_sun) in the binary system. Incorporating the data on previously found (suspected) novae in M 31 GCs we used our high-cadence X-ray monitoring observations to estimate a tentative nova rate in the M 31 GC system of 0.05 /yr/GC. An optical estimate, based on the recent 10.5-year WeCAPP survey, gives a lower nova rate, which is compatible with the X-ray rate on the 95% confidence level. There is growing evidence that the nova rate in GCs is higher than expected from primordial binary formation and under conditions as in the field. Dynamical binary formation and/or additional accretion from the intracluster medium are possible scenarios for an increased nova rate, but observational confirmation for this enhancement has been absent, so far. Regular X-ray monitoring observations of M 31 provide a promising strategy to find these novae.Comment: 14 pages, 6 figures, 3 tables; accepted by Astronomy and Astrophysic

Research Quality, Publications and Impact in Civil Engineering into the 21st Century. Publish or Perish, Commercial versus Open Access, Internet versus Libraries?

A research project is only completed when it has been published and shared with the community. Referees and peer experts play an important role to control the research quality. While some new electronic tools provide further means to disseminate some research information, the quality and impact of the works remain linked with some thorough expert-review process and the publication in international scientific journals and books; unethical publishing standards are not acceptable. The writer argues herein that the new electronic aids do not replace scholarship nor critical thinking, although they impact on the working environment of civil engineers