Chemical NOx budget in the upper troposphere over the tropical South Pacific

The chemical NOx budget in the upper troposphere over the tropical South Pacific is analyzed using aircraft measurements made at 6-12 km altitude in September 1996 during the Global Tropospheric Experiment (GTE) Pacific Exploratory Mission (PEM) Tropics A campaign. Chemical loss and production rates of NOx along the aircraft flight tracks are calculated with a photochemical model constrained by observations. Calculations using a standard chemical mechanism show a large missing source for NOx; chemical loss exceeds chemical production by a factor of 2.4 on average. Similar or greater NOx budget imbalances have been reported in analyses of data from previous field studies. Ammonium aerosol concentrations in PEM-Tropics A generally exceeded sulfate on a charge equivalent basis, and relative humidities were low (median 25% relative to ice). This implies that the aerosol could be dry in which case N2O5 hydrolysis would be suppressed as a sink for NOx. Suppression of N2O5 hydrolysis and adoption of new measurements of the reaction rate constants for NO2 + OH + M and HNO3 + OH reduces the median chemical imbalance in the NOx budget for PEM-Tropics A from 2.4 to 1.9. The remaining imbalance cannot be easily explained from known chemistry or long-range transport of primary NOx and may imply a major gap in our understanding of the chemical cycling of NOx in the free troposphere. Copyright 2000 by the American Geophysical Union

Density functional theory study of (OCS)2^-

The structural and electronic properties of the carbonyl sulfide dimer anion are calculated using density functional theory within a pseudopotential method. Three geometries are optimized and investigated: C2v and C2 symmetric, as well as one asymmetric structure. A distribution of an excess charge in three isomers are studied by the Hirshfeld method. In an asymmetric (OCS)2^- isomer the charge is not equally divided between the two moieties, but it is distributed as OCS^{-0.6} OCS^{-0.4}. Low-lying excitation levels of three isomers are compared using the time-dependent density functional theory in the Casida approach.Comment: pdf (included all figures): http://www.phy.hr/~goranka/Research/ocs.pd

A Test of Pre-Main Sequence Evolutionary Models Across the Stellar/Substellar Boundary Based on Spectra of the Young Quadruple GG Tau

We present spatially separated optical spectra of the components of the young hierarchical quadruple GG Tau. Spectra of GG Tau Aa and Ab (separation 0".25 ~ 35 AU) were obtained with the Faint Object Spectrograph aboard the Hubble Space Telescope. Spectra of GG Tau Ba and Bb (separation 1".48 ~ 207 AU) were obtained with both the HIRES and the LRIS spectrographs on the W. M. Keck telescopes. The components of this mini-cluster, which span a wide range in spectral type (K7 - M7), are used to test both evolutionary models and the temperature scale for very young, low mass stars under the assumption of coeval formation. Of the evolutionary models tested, those of Baraffe et al. (1998, A&A, 337, 403) yield the most consistent ages when combined with a temperature scale intermediate between that of dwarfs and giants. The version of the Baraffe et al. models computed with a mixing length nearly twice the pressure scale height is of particular interest as it predicts masses for GG Tau Aa and Ab that are in agreement with their dynamical mass estimate. Using this evolutionary model and a coeval (at 1.5 Myrs) temperature scale, we find that the coldest component of the GG Tau system, GG Tau Bb, is substellar with a mass of 0.044 +/- 0.006 Msun. This brown dwarf companion is especially intriguing as it shows signatures of accretion, although this accretion is not likely to alter its mass significantly. GG Tau Bb is currently the lowest mass, spectroscopically confirmed companion to a T Tauri star, and is one of the coldest, lowest mass T Tauri objects in the Taurus-Auriga star forming region.Comment: 25 pages, 6 figures, accepted for publication in The Astrophysical Journa

Classical Coulomb Systems:Screening and Correlations Revisited

From the laws of macroscopic electrostatics of conductors (in particular the existence of screening) taken for granted, one can deduce universal properties for the thermal fluctuations in a classical Coulomb system at equilibrium. The universality is especially apparent in the long-range correlations of the electrical potentials and fields. The charge fluctuations are derived from the field fluctuations. This is a convenient way for studying the surface charge fluctuations on a conductor with boundaries. Explicit results are given for simple geometries. The potentials and the fields have Gaussian fluctuations, except for a short-distance cutoff.Comment: 17 pages,TE

HPC-oriented Canonical Workflows for Machine Learning Applications in Climate and Weather Prediction

Machine learning (ML) applications in weather and climate are gaining momentum as big data and the immense increase in High-performance computing (HPC) power are paving the way. Ensuring FAIR data and reproducible ML practices are significant challenges for Earth system researchers. Even though the FAIR principle is well known to many scientists, research communities are slow to adopt them. Canonical Workflow Framework for Research (CWFR) provides a platform to ensure the FAIRness and reproducibility of these practices without overwhelming researchers. This conceptual paper envisions a holistic CWFR approach towards ML applications in weather and climate, focusing on HPC and big data. Specifically, we discuss Fair Digital Object (FDO) and Research Object (RO) in the DeepRain project to achieve granular reproducibility. DeepRain is a project that aims to improve precipitation forecast in Germany by using ML. Our concept envisages the raster datacube to provide data harmonization and fast and scalable data access. We suggest the Juypter notebook as a single reproducible experiment. In addition, we envision JuypterHub as a scalable and distributed central platform that connects all these elements and the HPC resources to the researchers via an easy-to-use graphical interface

The influence of fitness on exercise blood pressure and its association with cardiac structure in adolescence

Purpose: Exaggerated exercise blood pressure (BP) is associated with altered cardiac structure and increased cardiovascular risk. Fitness modifies these associations, but the effect in healthy adolescents is unknown. We performed an observational study to determine the influence of fitness on post-exercise BP, and on its relationship with cardiac structure in adolescents. Methods: 4835 adolescents from the Avon Longitudinal Study of Parents and Children, (15.4 (0.3) years, 49% male) completed a submaximal cycle test. Fitness was estimated as physical work capacity 170 adjusted for lean body mass and post-exercise BP measured immediately posttest. Cardiovascular structure and function, including left ventricular (LV) mass (n = 1589), left atrium (LA) size (n = 1466), cardiac output (CO, n = 1610), and total peripheral resistance (TPR, n = 1610) were measured at rest by echocardiography 2.4 (0.4) years later. Results: Post-exercise systolic BP increased stepwise by fitness tertile (131.2 mm Hg [130.4, 132.1]; 137.3 mm Hg [136.5, 138.0]; 142.3 mm Hg [141.5, 143.1]). Each 5 mm Hg of post-exercise systolic BP was associated with 2.46 g [1.91, 3.01] greater LV mass, 0.02 cm [0.02, 0.03] greater LA size, and 0.25 g/m2.7 [0.14, 0.36] greater LV mass index. Adjustment for fitness abolished associations (0.29 g [-0.16, 0.74]; 0.01 cm [-0.001, 0.014] and 0.08 g/m2.7 [-0.001, 0.002]). Similar associations between post-exercise systolic BP and each outcome were found between the lowest and highest fitness thirds. CO increased with fitness third (difference 0.06 L/min [-0.05, 0.17]; 0.23 L/min [0.12, 0.34]) while TPR decreased (difference -0.13 mm Hg·min/L [-0.84,0.59]; -1.08 mm Hg·min/L [-0.1.80, 0.35]). Conclusions: Post-exercise systolic BP increased with fitness, which modified its association with cardiac structure. Higher CO, but lower TPR suggests a physiologically adapted cardiovascular system with greater fitness, highlighting the importance of fitness in adolescence

Chemical characteristics of air from differing source regions during the Pacific Exploratory Mission‐Tropics A (PEM‐Tropics A)

Ten‐day backward trajectories are used to determine the origins of air parcels arriving at airborne DC‐8 chemical measurement sites during NASA\u27s Pacific Exploratory Mission‐Tropics A (PEM‐T) that was conducted during August‐October 1996. Those sites at which the air had a common geographical origin and transport history are grouped together, and statistical measures of chemical characteristics are computed. Temporal changes in potential temperature are used to determine whether trajectories experience a significant convective influence during the 10‐day period. Those trajectories that do not experience a significant convective influence are divided into four geographical categories depending on their origins and paths. Air parcels originating over Africa and South America are characterized by enhanced mixing ratios of O3, CO, HNO3, and PAN. The backward trajectories travel at high altitudes (∼10–11 km), covering long distances due to strong upper‐tropospheric westerly winds. The observed enhancement of combustion‐related species is attributed to biomass burning from distant sources to the west, extending even to South America. The relatively large value of Be‐7 probably is due either to less efficient removal of aerosols from upper tropospheric air or to small stratospheric contributions. Aged marine parcels are found to have relatively small concentrations of burning‐related species. Although these trajectories arrive at a wide range of aircraft altitudes, they do not pass over a land mass during the preceding 10‐day period. Air passing over Australia but no other land mass exhibits a combustion signature; however, photochemical product species such as O3 and PAN are less enhanced than in the long‐range transport category. These trajectories travel shorter distances and are at lower altitudes (∼5–8 km) than those reaching Africa and/or South America. The combustion influence on these parcels is attributed to biomass burning emissions injected over Australia. That burning is less widespread than in Africa and South America. Finally, trajectories originating over Southeast Asia appear to receive a weak combustion influence. However, compared to Africa and South America, Southeast Asia has a relatively small incidence of biomass burning. There is little combustion input from Australia due to the high transport altitudes compared to the lower heights of the convection. The Southeast Asian parcels exhibit the greatest NOx to ∑NOi ratio of any category, perhaps due to lightning. Parcels experiencing a significant convective influence also are examined. Most of these parcels pass through widespread, persistent convection along either the South Pacific Convergence Zone or Intertropical Convergence Zone approximately 5 days prior to arriving at the aircraft locations. Thus the category mostly represents marine convection. Mixing ratios of peroxides and acids in the convective category are found to be smaller than in parcels not experiencing convection. Small mixing ratios of Be‐7 and Pb‐210 suggest particle removal by precipitation

Masked hypertension and submaximal exercise blood pressure among adolescents from the Avon Longitudinal Study of Parents and Children (ALSPAC)

Purpose: Masked hypertension is associated with increased cardiovascular risk but is undetectable by clinic blood pressure (BP). Elevated systolic BP responses to submaximal exercise reveal the presence of masked hypertension in adults, but it is unknown whether this is the case during adolescence. We aimed to determine if exercise BP was raised in adolescents with masked hypertension, and its association with cardiovascular risk markers.Methods: A total of 657 adolescents (aged 17.7 ± 0.3 years; 41.9% male) from the Avon longitudinal study of parents and children (ALSPAC) completed a step-exercise test with pre-, post-, and recovery-exercise BP, clinic BP and 24-hour ambulatory BP. Masked hypertension was defined as clinic BP Results: Fifty participants (7.8%) were classified with masked hypertension. Clinic, pre-, post-, and recovery-exercise systolic BP were associated with masked hypertension (AUC ≥ 0.69 for all, respectively), with the clinic systolic BP threshold of 115 mm Hg having high sensitivity and specificity and exercise BP thresholds of 126, 150, and 130 mm Hg, respectively, having high specificity and negative predictive value (individually or when combined) for ruling out the presence of masked hypertension. Additionally, this exercise systolic BP above the thresholds was associated with greater left-ventricular mass index and aortic PWV.Conclusions: Submaximal exercise systolic BP is associated with masked hypertension and adverse cardiovascular structure in adolescents. Exercise BP may be useful in addition to clinic BP for screening of high BP and cardiovascular risk in adolescents

Convective injection and photochemical decay of peroxides in the tropical upper troposphere: Methyl iodide as a tracer of marine convection

The convective injection and subsequent fate of the peroxides H2O2 and CH3OOH in the upper troposphere is investigated using aircraft observations from the NASA Pacific Exploratory Mission‐Tropics A (PEM‐Tropics A) over the South Pacific up to 12 km altitude. Fresh convective outflow is identified by high CH3I concentrations; CH3I is an excellent tracer of marine convection because of its relatively uniform marine boundary layer concentration, relatively well‐defined atmospheric lifetime against photolysis, and high sensitivity of measurement. We find that mixing ratios of CH3OOH in convective outflow at 8–12 km altitude are enhanced on average by a factor of 6 relative to background, while mixing ratios of H2O2 are enhanced by less than a factor of 2. The scavenging efficiency of H2O2 in the precipitation associated with deep convection is estimated to be 55–70%. Scavenging of CH3OOH is negligible. Photolysis of convected peroxides is a major source of the HOx radical family (OH + peroxy radicals) in convective outflow. The timescale for decay of the convective enhancement of peroxides in the upper troposphere is determined using CH3I as a chemical clock and is interpreted using photochemical model calculations. Decline of CH3OOH takes place on a timescale of a 1–2 days, but the resulting HOx converts to H2O2, so H2O2 mixing ratios show no decline for ∼5 days following a convective event. The perturbation to HOx at 8–12 km altitude from deep convective injection of peroxides decays on a timescale of 2–3 days for the PEM‐Tropics A conditions

Correlations in two-component log-gas systems

A systematic study of the properties of particle and charge correlation functions in the two-dimensional Coulomb gas confined to a one-dimensional domain is undertaken. Two versions of this system are considered: one in which the positive and negative charges are constrained to alternate in sign along the line, and the other where there is no charge ordering constraint. Both systems undergo a zero-density Kosterlitz-Thouless type transition as the dimensionless coupling $\Gamma := q^2 / kT$ is varied through $\Gamma = 2$. In the charge ordered system we use a perturbation technique to establish an $O(1/r^4)$ decay of the two-body correlations in the high temperature limit. For $\Gamma \rightarrow 2^+$, the low-fugacity expansion of the asymptotic charge-charge correlation can be resummed to all orders in the fugacity. The resummation leads to the Kosterlitz renormalization equations.Comment: 39 pages, 5 figures not included, Latex, to appear J. Stat. Phys. Shortened version of abstract belo