| 11. |
- Lejaeghere, Kurt, et al.
(author)
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Reproducibility in density functional theory calculations of solids.
- 2016
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In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 351:6280, s. 1415-1422
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Journal article (peer-reviewed)abstract
- The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements.
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| 12. |
- Bisbas, Thomas G., et al.
(author)
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TORUS-3DPDR : a self-consistent code treating three-dimensional photoionization and photodissociation regions
- 2015
-
In: Monthly notices of the Royal Astronomical Society. - : Oxford University Press. - 0035-8711 .- 1365-2966. ; 454:3, s. 2828-2843
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Journal article (peer-reviewed)abstract
- The interaction of ionizing and far-ultraviolet radiation with the interstellar medium is of great importance. It results in the formation of regions in which the gas is ionized, beyond which are photodissociation regions (PDRs) in which the gas transitions to its atomic and molecular form. Several numerical codes have been implemented to study these two main phases of the interstellar medium either dynamically or chemically. In this paper we present TORUS-3DPDR, a new self-consistent code for treating the chemistry of three-dimensional photoionization and photodissociation regions. It is an integrated code coupling the two codes TORUS, a hydrodynamics and Monte Carlo radiation transport code, and 3D-PDR, a PDRs code. The new code uses a Monte Carlo radiative transfer scheme to account for the propagation of the ionizing radiation including the diffusive component as well as a ray-tracing scheme based on the HEALPIX package in order to account for the escape probability and column density calculations. Here, we present the numerical techniques we followed and we show the capabilities of the new code in modelling three-dimensional objects including single or multiple sources. We discuss the effects introduced by the diffusive component of the ultraviolet field in determining the thermal balance of PDRs as well as the effects introduced by a multiple sources treatment of the radiation field. With this new code, three-dimensional synthetic observations for the major cooling lines are possible, for making feasible a detailed comparison between hydrodynamical simulations and observations.
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| 13. |
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| 14. |
- Jigmeddorj, B., et al.
(author)
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New low-spin states of 122Xe observed via high-statistics beta-decay of 122Cs
- 2018
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In: EPJ Web of Conferences. - : EDP Sciences. - 2100-014X. ; 178, s. 02026-02026
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Journal article (peer-reviewed)abstract
- Excited states of 122Xe were studied via the β+/EC decay of 122Cs with the 8π γ-ray spectrometer at the TRIUMF-ISAC facility. Compton-suppressed HPGe detectors were used for measurements of γ-ray intensities, γγ coincidences, and γ-γ angular correlations. Two sets of data were collected to optimize the decays of the ground (21.2 s) and isomeric (3.7 min) states of 122Cs. The data collected have enabled the observation of about 505 new transitions and about 250 new levels, including 51 new low-spin states. Spin assignments have been made for 58 low-spin states based on the deduced β-decay feeding and γ-γ angular correlation analyses.
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| 15. |
- Lundgren, Markus, et al.
(author)
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Analgesic antipyretic use among young children in the TEDDY study : No association with islet autoimmunity
- 2017
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In: BMC Pediatrics. - : Springer Science and Business Media LLC. - 1471-2431. ; 17:1
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Journal article (peer-reviewed)abstract
- Background: The use of analgesic antipyretics (ANAP) in children have long been a matter of controversy. Data on their practical use on an individual level has, however, been scarce. There are indications of possible effects on glucose homeostasis and immune function related to the use of ANAP. The aim of this study was to analyze patterns of analgesic antipyretic use across the clinical centers of The Environmental Determinants of Diabetes in the Young (TEDDY) prospective cohort study and test if ANAP use was a risk factor for islet autoimmunity. Methods: Data were collected for 8542 children in the first 2.5 years of life. Incidence was analyzed using logistic regression with country and first child status as independent variables. Holm's procedure was used to adjust for multiplicity of intercountry comparisons. Time to autoantibody seroconversion was analyzed using a Cox proportional hazards model with cumulative analgesic use as primary time dependent covariate of interest. For each categorization, a generalized estimating equation (GEE) approach was used. Results: Higher prevalence of ANAP use was found in the U.S. (95.7%) and Sweden (94.8%) compared to Finland (78.1%) and Germany (80.2%). First-born children were more commonly given acetaminophen (OR 1.26; 95% CI 1.07, 1.49; p = 0.007) but less commonly Non-Steroidal Anti-inflammatory Drugs (NSAID) (OR 0.86; 95% CI 0.78, 0.95; p = 0.002). Acetaminophen and NSAID use in the absence of fever and infection was more prevalent in the U.S. (40.4%; 26.3% of doses) compared to Sweden, Finland and Germany (p < 0.001). Acetaminophen or NSAID use before age 2.5 years did not predict development of islet autoimmunity by age 6 years (HR 1.02, 95% CI 0.99-1.09; p = 0.27). In a sub-analysis, acetaminophen use in children with fever weakly predicted development of islet autoimmunity by age 3 years (HR 1.05; 95% CI 1.01-1.09; p = 0.024). Conclusions: ANAP use in young children is not a risk factor for seroconversion by age 6 years. Use of ANAP is widespread in young children, and significantly higher in the U.S. compared to other study sites, where use is common also in absence of fever and infection.
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| 16. |
- Matsuura, M., et al.
(author)
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A STUBBORNLY LARGE MASS OF COLD DUST IN THE EJECTA OF SUPERNOVA 1987A
- 2015
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In: Astrophysical Journal. - 0004-637X .- 1538-4357. ; 800:1
-
Journal article (peer-reviewed)abstract
- We present new Herschel photometric and spectroscopic observations of Supernova 1987A, carried out in 2012. Our dedicated photometric measurements provide new 70 mu m data and improved imaging quality at 100 and 160 mu m compared to previous observations in 2010. Our Herschel spectra show only weak CO line emission, and provide an upper limit for the 63 mu m [O-I] line flux, eliminating the possibility that line contaminations distort the previously estimated dustmass. The far-infrared spectral energy distribution (SED) is well fitted by thermal emission from cold dust. The newly measured 70 mu m flux constrains the dust temperature, limiting it to nearly a single temperature. The far-infrared emission can be fitted by 0.5 +/- 0.1M(circle dot) of amorphous carbon, about a factor of two larger than the current nucleosynthetic mass prediction for carbon. The observation of SiO molecules at early and late phases suggests that silicates may also have formed and we could fit the SED with a combination of 0.3M(circle dot) of amorphous carbon and 0.5M(circle dot) of silicates, totalling 0.8M(circle dot) of dust. Our analysis thus supports the presence of a large dust reservoir in the ejecta of SN 1987A. The inferred dust mass suggests that supernovae can be an important source of dust in the interstellar medium, from local to high-redshift galaxies.
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| 17. |
- McDonald, I., et al.
(author)
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ALMA reveals sunburn : CO dissociation around AGB stars in the globular cluster 47 Tucanae
- 2015
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In: Monthly notices of the Royal Astronomical Society. - : Oxford University Press (OUP). - 0035-8711 .- 1365-2966. ; 453:4, s. 4324-4336
-
Journal article (peer-reviewed)abstract
- Atacama Large Millimetre Array observations show a non-detection of carbon monoxide around the four most luminous asymptotic giant branch (AGB) stars in the globular cluster 47 Tucanae. Stellar evolution models and star counts show that the mass-loss rates from these stars should be similar to 1.2-3.5x10(-7) M-circle dot yr(-1). We would naively expect such stars to be detectable at this distance (4.5 kpc). By modelling the ultraviolet radiation field from post-AGB stars and white dwarfs in 47 Tuc, we conclude that CO should be dissociated abnormally close to the stars. We estimate that the CO envelopes will be truncated at a few hundred stellar radii from their host stars and that the line intensities are about two orders of magnitude below our current detection limits. The truncation of CO envelopes should be important for AGB stars in dense clusters. Observing the CO (3-2) and higher transitions and targeting stars far from the centres of clusters should result in the detections needed to measure the outflow velocities from these stars.
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| 18. |
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| 19. |
- Matsuura, M., et al.
(author)
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Detection of Rotational Co Emission from the Red-Supergiants in the Large Magellanic Cloud
- 2015
-
In: EAS Publications Series. - : EDP Sciences. - 1633-4760 .- 1638-1963. - 9782759819072 ; 71-72, s. 53-56
-
Conference paper (peer-reviewed)abstract
- It is yet well understood how mass-loss rates from evolved stars depend on metallicities. With a half of the solar metallicity and the distance of only 50 kpc, the evolved stars of the Large Magellanic Cloud (LMC) are an ideal target for studying mass loss at low metallicity. We have obtained spectra of red-supergiants in the LMC, using the Hershel Space Observatory, detecting CO thermal lines fro J=6-5 up to 15-14 lines. Modelling CO lines with non-LTE Radiative transfer code suggests that CO lines intensities can be well explained with high gas-to-dust ratio, with no obvious reduction in mass-loss rate at the LMC. We conclude that the luminosities of the stars are dominant factors on mass-loss rates, rather than the metallicity.
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| 20. |
- Matsuura, M., et al.
(author)
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The mass-loss rates of red supergiants at low metallicity: detection of rotational CO emission from two red supergiants in the Large Magellanic Cloud
- 2016
-
In: Monthly Notices of the Royal Astronomical Society. - : Oxford University Press (OUP). - 0035-8711 .- 1365-2966. ; 462:3, s. 2995-3005
-
Journal article (peer-reviewed)abstract
- Using the PACS and SPIRE spectrometers on-board the Herschel Space Observatory, we obtained spectra of two red supergiants (RSGs) in the Large MagellanicCloud (LMC). Multiple rotational CO emission lines (J = 6-5 to 15-14) and 15 H2O lines were detected from IRAS 05280-6910, and one CO line was detected from WOH G64. This is the first time that CO rotational lines have been detected from evolved stars in the LMC. Their CO line intensities are as strong as those of the Galactic RSG, VY CMa. Modelling the CO lines and the spectral energy distribution results in an estimated mass-loss rate for IRAS 05280-6910 of 3 x 10(-4) M-circle dot yr(-1). The model assumes a gas-to-dust ratio and a CO-to-H-2 abundance ratio is estimated from the Galactic values scaled by the LMC metallicity ([Fe/H] similar to -0.3), i.e. that the CO-to-dust ratio is constant for Galactic and LMC metallicities within the uncertainties of the model. The key factor determining the CO line intensities and the mass-loss rate found to be the stellar luminosity.
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