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Sample records for chemical evolution modeller

  1. Chemical Evolution models of Local Group galaxies

    CERN Document Server

    Tosi, M P

    2003-01-01

    Status quo and perspectives of standard chemical evolution models of Local Group galaxies are summarized, discussing what we have learnt from them, what we know we have not learnt yet, and what I think we will learn in the near future. It is described how Galactic chemical evolution models have helped showing that: i) stringent constraints on primordial nucleosynthesis can be derived from the observed Galactic abundances of the light elements, ii) the Milky Way has been accreting external gas from early epochs to the present time, iii) the vast majority of Galactic halo stars have formed quite rapidly at early epochs. Chemical evolution models for the closest dwarf galaxies, although still uncertain so far, are expected to become extremely reliable in the nearest future, thanks to the quality of new generation photometric and spectroscopic data which are currently being acquired.

  2. Chemical Evolution Model of M33

    Science.gov (United States)

    Robles-Valdez, F.; Carigi, L.

    2011-10-01

    We present a chemical evolution model (CEM) of M33 and we find that M33, which is smaller than both M31 and MW, shows a lower gas infall rate, SFR efficiency, and IMF M_{up}. Therefore the CEMs for large spiral galaxies (Carigi et al. 2005; Meneses-Goytia et al. 2011) can be scaled to a smaller galaxy.

  3. The Impact of Modeling Assumptions in Galactic Chemical Evolution Models

    CERN Document Server

    Côté, Benoit; Ritter, Christian; Herwig, Falk; Venn, Kim A

    2016-01-01

    We use the OMEGA galactic chemical evolution code to investigate how the assumptions used for the treatment of galactic inflows and outflows impact numerical predictions. The goal is to determine how our capacity to reproduce the chemical evolution trends of a galaxy is affected by the choice of implementation used to include those physical processes. In pursuit of this goal, we experiment with three different prescriptions for galactic inflows and outflows and use OMEGA within a Markov Chain Monte Carlo code to recover the set of input parameters that best reproduces the chemical evolution of nine elements in the dwarf spheroidal galaxy Sculptor. Despite their different degrees of intended physical realism, we found that all three prescriptions can reproduce in an almost identical way the stellar abundance trends observed in Sculptor. While the three models have the same capacity to fit the data, the best values recovered for the parameters controlling the number of Type Ia supernovae and the strength of gal...

  4. The Impact of Modeling Assumptions in Galactic Chemical Evolution Models

    Science.gov (United States)

    Côté, Benoit; O’Shea, Brian W.; Ritter, Christian; Herwig, Falk; Venn, Kim A.

    2017-02-01

    We use the OMEGA galactic chemical evolution code to investigate how the assumptions used for the treatment of galactic inflows and outflows impact numerical predictions. The goal is to determine how our capacity to reproduce the chemical evolution trends of a galaxy is affected by the choice of implementation used to include those physical processes. In pursuit of this goal, we experiment with three different prescriptions for galactic inflows and outflows and use OMEGA within a Markov Chain Monte Carlo code to recover the set of input parameters that best reproduces the chemical evolution of nine elements in the dwarf spheroidal galaxy Sculptor. This provides a consistent framework for comparing the best-fit solutions generated by our different models. Despite their different degrees of intended physical realism, we found that all three prescriptions can reproduce in an almost identical way the stellar abundance trends observed in Sculptor. This result supports the similar conclusions originally claimed by Romano & Starkenburg for Sculptor. While the three models have the same capacity to fit the data, the best values recovered for the parameters controlling the number of SNe Ia and the strength of galactic outflows, are substantially different and in fact mutually exclusive from one model to another. For the purpose of understanding how a galaxy evolves, we conclude that only reproducing the evolution of a limited number of elements is insufficient and can lead to misleading conclusions. More elements or additional constraints such as the Galaxy’s star-formation efficiency and the gas fraction are needed in order to break the degeneracy between the different modeling assumptions. Our results show that the successes and failures of chemical evolution models are predominantly driven by the input stellar yields, rather than by the complexity of the Galaxy model itself. Simple models such as OMEGA are therefore sufficient to test and validate stellar yields. OMEGA

  5. Hydrogeochemical modeling of groundwater chemical environmental evolution in Hebei Plain

    Institute of Scientific and Technical Information of China (English)

    郭永海; 沈照理; 钟佐燊

    1997-01-01

    Using the hydrogeochemical modeling method, the groundwater chemical environmental problems of the Hebei Plain which involve increasing of hardness and total dissolved solids in piedmont area and mixing of saline water with fresh water in middle-eastern area are studied. The water-rock interactions and mass transfer along a ground-water flow path and in mixing processes are calculated. Thus the evolution mechanisms of the groundwater chemical environment are brought to light.

  6. A Chemical Evolution Model for the Fornax Dwarf Spheroidal Galaxy

    CERN Document Server

    Yuan, Zhen; Jing, Y P

    2015-01-01

    Fornax is the brightest Milky Way (MW) dwarf spheroidal galaxy and its star formation history (SFH) has been derived from observations. We estimate the time evolution of its gas mass and net inflow and outflow rates from the SFH using a simple star formation law that relates the star formation rate to the gas mass. We present a chemical evolution model on a 2D mass grid with supernovae (SNe) as sources of metal enrichment. We find that a key parameter controlling the enrichment is the mass M_x of the gas to mix with the ejecta from each SN. The choice of M_x depends on the evolution of SN remnants and on the global gas dynamics. It differs between the two types of SNe involved and between the periods before and after Fornax became an MW satellite at time t = t_sat . Our results indicate that due to the global gas outflow at t > t_sat , part of the ejecta from each SN may directly escape from Fornax. Sample results from our model are presented and compared with data.

  7. A Chemical Evolution Model for the Fornax Dwarf Spheroidal Galaxy

    Directory of Open Access Journals (Sweden)

    Yuan Zhen

    2016-01-01

    Full Text Available Fornax is the brightest Milky Way (MW dwarf spheroidal galaxy and its star formation history (SFH has been derived from observations. We estimate the time evolution of its gas mass and net inflow and outflow rates from the SFH usinga simple star formation law that relates the star formation rate to the gas mass. We present a chemical evolution model on a 2D mass grid with supernovae (SNe as sources of metal enrichment. We find that a key parameter controlling the enrichment is the mass Mx of the gas to mix with the ejecta from each SN. The choice of Mx depends on the evolution of SN remnants and on the global gas dynamics. It differs between the two types of SNe involved and between the periods before and after Fornax became an MW satellite at time t = tsat. Our results indicate that due to the global gas outflow at t > tsat, part of the ejecta from each SN may directly escape from Fornax. Sample results from our model are presented and compared with data.

  8. CHEMICAL EVOLUTION

    Energy Technology Data Exchange (ETDEWEB)

    Calvin, Melvin

    1965-06-01

    How did life come to be on the surface of the earth? Darwin himself recognized that his basic idea of evolution by variation and natural selection must be a continuous process extending backward in time through that period in which the first living things arose and into the period of 'Chemical Evolution' which preceded it. We are approaching the examination of these events by two routes. One is to seek for evidence in the ancient rocks of the earth which were laid down prior to that time in which organisms capable of leaving their skeletons in the rocks to be fossilized were in existence. This period is sometime prior to approximately 600 million years ago. The earth is believed to have taken its present form approximately 4700 million years ago. We have found in rocks whose age is about 1000 million years certain organic molecules which are closely related to the green pigment of plants, chlorophyll. This seems to establish that green plants were already fluorishing prior to that time. We have now found in rocks of still greater age, namely, 2500 million years, the same kinds of molecules mentioned above which can be attributed to the presence of living organisms. If these molecules are as old as the rocks, we have thus shortened the time available for the generation of the complex biosynthetic sequences which give rise to these specific hydrocarbons (polyisoprenoids) to less than 2000 million years.

  9. Modeling the chemical evolution of nitrogen oxides near roadways

    Science.gov (United States)

    Wang, Yan Jason; DenBleyker, Allison; McDonald-Buller, Elena; Allen, David; Zhang, K. Max

    2011-01-01

    The chemical evolution of nitrogen dioxide (NO 2) and nitrogen monoxide (NO) in the vicinity of roadways is numerically investigated using a computational fluid dynamics model, CFD-VIT-RIT and a Gaussian-based model, CALINE4. CFD-VIT-RIT couples a standard k- ɛ turbulence model for turbulent mixing and the Finite-Rate model for chemical reactions. CALINE4 employs a discrete parcel method, assuming that chemical reactions are independent of the dilution process. The modeling results are compared to the field measurement data collected near two roadways in Austin, Texas, State Highway 71 (SH-71) and Farm to Market Road 973 (FM-973), under parallel and perpendicular wind conditions during the summer of 2007. In addition to ozone (O 3), other oxidants and reactive species including hydroperoxyl radical (HO 2), organic peroxyl radical (RO 2), formaldehyde (HCHO) and acetaldehyde (CH 3CHO) are considered in the transformation from NO to NO 2. CFD-VIT-RIT is shown to be capable of predicting both NO x and NO 2 profiles downwind. CALINE4 is able to capture the NO x profiles, but underpredicts NO 2 concentrations under high wind velocity. Our study suggests that the initial NO 2/NO x ratios have to be carefully selected based on traffic conditions in order to assess NO 2 concentrations near roadways. The commonly assumed NO 2/NO x ratio by volume of 5% may not be suitable for most roadways, especially those with a high fraction of heavy-duty truck traffic. In addition, high O 3 concentrations and high traffic volumes would lead to the peak NO 2 concentration occurring near roadways with elevated concentrations persistent over a long distance downwind.

  10. Modelling the chemical evolution in galaxies with KROME

    CERN Document Server

    Bovino, Stefano; Capelo, Pedro R; Schleicher, Dominik R G; Banerjee, R

    2015-01-01

    In this paper we present and test chemical models for three-dimensional hydrodynamical simulations of galaxy evolution. The microphysics is modelled by employing the public chemistry package KROME and the chemical networks have been tested to work in a wide range of densities and temperatures. We describe a simple H/He network following the formation of H2, and a more sophisticated network which includes metals. Photochemistry, thermal processes, and different prescriptions for the H2 catalysis on dust are presented and tested within a simple one-zone framework. We explore the effect of changing some of the key parameters such as metallicity, radiation and non-equilibrium versus equilibrium metal cooling approximations on the transition between the different gas phases. We find that employing an accurate treatment of the dust-related processes induces a faster HI-H2 transition. In addition, we show when the equilibrium assumption for metal cooling holds, and how a non-equilibrium approach affects the thermal ...

  11. PNe as observational constraints in chemical evolution models for NGC 6822

    CERN Document Server

    Hernandez-Martinez, Liliana; Peña, Miriam; Peimbert, Manuel

    2011-01-01

    Chemical evolution models are useful for understanding the formation and evolution of stars and galaxies. Model predictions will be more robust as more observational constraints are used. We present chemical evolution models for the dwarf irregular galaxy NGC 6822 using chemical abundances of old and young Planetary Nebulae (PNe) and \\ion{H}{ii} regions as observational constraints. Two sets of chemical abundances, one derived from collisionally excited lines (CELs) and one, from recombination lines (RLs), are used. We try to use our models as a tool to discriminate between both procedures for abundance determinations. In our chemical evolution code, the chemical contribution of low and intermediate mass stars is time delayed, while for the massive stars the chemical contribution follows the instantaneous recycling approximation. Our models have two main free parameters: the mass-loss rate of a well-mixed outflow and the upper mass limit, $M_{up}$, of the initial mass function (IMF). To reproduce the gaseous ...

  12. Galactic Chemical Evolution

    CERN Document Server

    Mollá, M; da Costa, R; Gibson, B K; Díaz, A I

    2016-01-01

    We analyze the evolution of oxygen abundance radial gradients resulting from our chemical evolution models calculated with different prescriptions for the star formation rate (SFR) and for the gas infall rate, in order to assess their respective roles in shaping gradients. We also compare with cosmological simulations and confront all with recent observational datasets, in particular with abundances inferred from planetary nebulae. We demonstrate the critical importance in isolating the specific radial range over which a gradient is measured, in order for their temporal evolution to be useful indicators of disk growth with redshift.

  13. Modelling the chemical evolution of molecular clouds as a function of metallicity

    CERN Document Server

    Penteado, Em M; Rocha-Pinto, H J

    2014-01-01

    The Galaxy is in continuous elemental evolution. Since new elements produced by dying stars are delivered to the interstellar medium, the formation of new enerations of stars and planetary systems is influenced by this metal enrichment. We aim to study the role of the metallicity on the gas phase chemistry of the interstellar medium. Using a system of coupled-ordinary differential equations to model the chemical reactions, we simulate the evolution of the abundance of molecules in the gas phase for different initial interstellar elemental compositions. These varying initial elemental compositions consider the change in the "elemental abundances" predicted by a self-consistent model of the elemental evolution of the Galaxy. As far as we are aware, this is the first attempt to combine elemental evolution of the Galaxy and chemical evolution of molecular clouds. The metallicity was found to have a strong effect on the overall gas phase composition. With decreasing metallicity, the number of long carbon chains wa...

  14. Modelling the chemical evolution of star forming filaments

    Science.gov (United States)

    Seifried, D.; Walch, S.

    2016-05-01

    We present simulations of star forming filaments incorporating - to our knowledge - the largest chemical network used to date on-the-fly in a 3D-MHD simulation. The network contains 37 chemical species and about 300 selected reaction rates. For this we use the newly developed package KROME (Grassi et al. [4]). Our results demonstrate the feasibility of using such a complex chemical network in 3D-MHD simulations on modern supercomputers. We perform simulations with different strengths of the interstellar radiation field and the cosmic ray ionisation rate and find chemical and physical results in accordance with observations and other recent numerical work.

  15. Modelling the chemical evolution of star forming filaments

    CERN Document Server

    Seifried, D

    2015-01-01

    We present simulations of star forming filaments incorporating - to our knowledge - the largest chemical network used to date on-the-fly in a 3D-MHD simulation. The network contains 37 chemical species and about 300 selected reaction rates. For this we use the newly developed package KROME (Grassi et al. 2014). Our results demonstrate the feasibility of using such a complex chemical network in 3D-MHD simulations on modern supercomputers. We perform simulations with different strengths of the interstellar radiation field and the cosmic ray ionisation rate and find chemical and physical results in accordance with observations and other recent numerical work.

  16. Towards an improved modeling of chemical weathering in the SoilGen soil evolution model

    Science.gov (United States)

    Opolot, Emmanuel; Finke, Peter

    2014-05-01

    As the need for soil information particularly in the fields of agriculture, land evaluation, hydrology, biogeochemistry and climate change keeps increasing, models for soil evolution are increasingly becoming valuable tools to provide such soil information. Although still limited, such models are progressively being developed. The SoilGen model is one of such models with capabilities to provide soil information such as soil texture, pH, base saturation, organic carbon, CEC, etc over multi-millennia time scale. SoilGen is a mechanistic water flow driven pedogenetic model describing soil forming processes such as carbon cycling, clay migration, decalcification, bioturbation, physical weathering and chemical weathering. The model has been calibrated and confronted with field measurements in a number of case studies, giving plausible results. Discrepancies between measured and simulated soil properties as concluded from case studies have been mainly attributed to (i) the simple chemical weathering system (ii) poor estimates of initial data inputs such as bulk density and element fluxes, and (iii) incorrect values of variables that describe boundary conditions such as precipitation and potential evapotranspiration. This study focuses on extending the chemical weathering system, such that it can deal with a more heterogeneous composition of primary minerals and includes more elements such as Fe and Si. We propose and discuss here an extended description of chemical weathering in the model that is based on more primary minerals, taking into account the role of the specific area of these minerals, and the effect of physical weathering on these specific areas over time. In the initial stage, the proposed chemical weathering mechanism is also implemented in PHREEQC (a widely applied geochemical code with capabilities to simulate equilibrium reactions involving water and minerals, surface complexes and ion exchangers, etc.) to facilitate comparison with the model results

  17. Towards an Integrated Model of Earth's Thermo-Chemical Evolution and Plate Tectonics

    Science.gov (United States)

    Tackley, P. J.; Xie, S.

    2001-05-01

    It has long been a challenge for geodynamicists, who have typically modeled homogeneous mantles, to explain the geochemical evidence for the existence of several distinct chemical reservoirs, in terms of a dynamically and chemically self-consistent model. While the mixing behavior of generalized tracers has received much attention in the modeling community, a recent trend has been towards mantle convection models that track the evolution of specific chemical species, both major and minor, and can thus be related to geochemical observations. However, obtaining realistic chemical evolution in such models is dependent on their having a reasonable representation of plate tectonic behavior since the recycling of oceanic crust and complementary depleted residuum is a key process in Earth that other terrestrial planets may lack. In general, this has required inserting plate motions by hand in models. In recent years, however, we have learned how to perform numerical simulations of mantle convection in which plate tectonic behavior is introduced self-consistently through plastic yielding of the lithosphere. In this presentation, models of mantle convection that combine a treatment of geochemical evolution with self-consistently generated plate tectonics, will be presented. Preliminary results indicate that the system can self-consistently evolve regions which have a HIMU-like signature as well as regions with a high He3/He4 ratio.

  18. Introduction to Galactic Chemical Evolution

    CERN Document Server

    Matteucci, Francesca

    2016-01-01

    In this lecture I will introduce the concept of galactic chemical evolution, namely the study of how and where the chemical elements formed and how they were distributed in the stars and gas in galaxies. The main ingredients to build models of galactic chemical evolution will be described. They include: initial conditions, star formation history, stellar nucleosynthesis and gas flows in and out of galaxies. Then some simple analytical models and their solutions will be discussed together with the main criticisms associated to them. The yield per stellar generation will be defined and the hypothesis of instantaneous recycling approximation will be critically discussed. Detailed numerical models of chemical evolution of galaxies of different morphological type, able to follow the time evolution of the abundances of single elements, will be discussed and their predictions will be compared to observational data. The comparisons will include stellar abundances as well as interstellar medium ones, measured in galax...

  19. Chemical evolution and life

    Directory of Open Access Journals (Sweden)

    Malaterre Christophe

    2015-01-01

    Full Text Available In research on the origins of life, the concept of “chemical evolution” aims at explaining the transition from non-living matter to living matter. There is however strong disagreement when it comes to defining this concept more precisely, and in particular with reference to a chemical form of Darwinian evolution: for some, chemical evolution is nothing but Darwinian evolution applied to chemical systems before life appeared; yet, for others, it is the type of evolution that happened before natural selection took place, the latter being the birthmark of living systems. In this contribution, I review the arguments defended by each side and show how both views presuppose a dichotomous definition of “life”.

  20. The mineralogic evolution of the Martian surface through time: Implications from chemical reaction path modeling studies

    Science.gov (United States)

    Plumlee, G. S.; Ridley, W. I.; Debraal, J. D.; Reed, M. H.

    1993-01-01

    Chemical reaction path calculations were used to model the minerals that might have formed at or near the Martian surface as a result of volcano or meteorite impact driven hydrothermal systems; weathering at the Martian surface during an early warm, wet climate; and near-zero or sub-zero C brine-regolith reactions in the current cold climate. Although the chemical reaction path calculations carried out do not define the exact mineralogical evolution of the Martian surface over time, they do place valuable geochemical constraints on the types of minerals that formed from an aqueous phase under various surficial and geochemically complex conditions.

  1. A new galactic chemical evolution model with dust: results for dwarf irregular galaxies and DLA systems

    CERN Document Server

    Gioannini, Lorenzo; Vladilo, Giovanni; Calura, Francesco

    2016-01-01

    We present a galactic chemical evolution model which adopts updated prescriptions for all the main processes governing the dust cycle. We follow in detail the evolution of the abundances of several chemical species (C, O, S, Si, Fe and Zn) in the gas and dust of a typical dwarf irregular galaxy. The dwarf irregular galaxy is assumed to evolve with a low but continuous level of star formation and experience galactic winds triggered by supernova explosions. We predict the evolution of the gas to dust ratio in such a galaxy and discuss critically the main processes involving dust, such as dust production by AGB stars and Type II SNe, destruction and accretion (gas condensation in clouds). We then apply our model to Damped Lyman-Alpha systems which are believed to be dwarf irregulars, as witnessed by their abundance patterns. Our main conclusions are: i) we can reproduce the observed gas to dust ratio in dwarf galaxies. ii) We find that the process of dust accretion plays a fundamental role in the evolution of du...

  2. A New Picture for the Chemical Evolution of the Galaxy: the Two Infall Model

    Directory of Open Access Journals (Sweden)

    Cristina Chiappini

    2001-01-01

    Full Text Available We present a chemical evolution model for the Galaxy which assumes that the evolution of the halo and thick disk is completely disentangled from the thin disk. The Galaxy formed by two main infall episodes which formed the halo-thick disk and thin disk, respectively. The model predicts the evolution of the gas mass, the star formation rate, the supernova rates and the abundances of 16 chemical elements as functions of time and galactocentric distance. Our results , strongly suggest that the previous picture for the Galaxy formation in which the gas shed from the halo was the main contributor to the thin disk formation, is not valid. We conclude a timescale of 8 Gyr for the thin-disk formation in the solar vicinity is required, implying that the infalling gas forming the thin-disk comes not only from the thick disk but mainly from the intergalactic medium. We constrain the IMF variation, Deuterium primordial value and earliest phases of Galaxy evolution.

  3. A new galactic chemical evolution model with dust: results for dwarf irregular galaxies and DLA systems

    Science.gov (United States)

    Gioannini, L.; Matteucci, F.; Vladilo, G.; Calura, F.

    2016-09-01

    We present a galactic chemical evolution model which adopts updated prescriptions for all the main processes governing the dust cycle. We follow in detail the evolution of the abundances of several chemical species (C, O, S, Si, Fe and Zn) in the gas and dust of a typical dwarf irregular galaxy. The dwarf irregular galaxy is assumed to evolve with a low but continuous level of star formation and experience galactic winds triggered by supernova explosions. We predict the evolution of the gas to dust ratio in such a galaxy and discuss critically the main processes involving dust, such as dust production by AGB stars and Type II SNe, destruction and accretion (gas condensation in clouds). We then apply our model to Damped Lyman-α systems which are believed to be dwarf irregulars, as witnessed by their abundance patterns. Our main conclusions are: i) we can reproduce the observed gas to dust ratio in dwarf galaxies. ii) We find that the process of dust accretion plays a fundamental role in the evolution of dust and in certain cases it becomes the dominant process in the dust cycle. On the other hand, dust destruction seems to be a negligible process in irregulars. iii) Concerning Damped Lyman-α systems, we show that the observed gas-phase abundances of silicon, normalized to volatile elements (zinc and sulfur), are in agreement with our model. iv) The abundances of iron and silicon in DLA systems suggest that the two elements undergo a different history of dust formation and evolution. Our work casts light on the nature of iron-rich dust: the observed depletion pattern of iron is well reproduced only when an additional source of iron dust is considered. Here we explore the possibility of a contribution from Type Ia SNe as well as an efficient accretion of iron nano-particles.

  4. A new galactic chemical evolution model with dust: results for dwarf irregular galaxies and DLA systems

    Science.gov (United States)

    Gioannini, L.; Matteucci, F.; Vladilo, G.; Calura, F.

    2017-01-01

    We present a galactic chemical evolution model which adopts updated prescriptions for all the main processes governing the dust cycle. We follow in detail the evolution of the abundances of several chemical species (C, O, S, Si, Fe and Zn) in the gas and dust of a typical dwarf irregular galaxy. The dwarf irregular galaxy is assumed to evolve with a low but continuous level of star formation and experience galactic winds triggered by supernova (SN) explosions. We predict the evolution of the gas to dust ratio in such a galaxy and discuss critically the main processes involving dust, such as dust production by asymptotic giant branch stars and Type II SNe, destruction and accretion (gas condensation in clouds). We then apply our model to damped Lyman α (DLA) systems which are believed to be dwarf irregulars, as witnessed by their abundance patterns. Our main conclusions are the following. (i) We can reproduce the observed gas to dust ratio in dwarf galaxies. (ii) We find that the process of dust accretion plays a fundamental role in the evolution of dust and in certain cases it becomes the dominant process in the dust cycle. On the other hand, dust destruction seems to be a negligible process in irregulars. (iii) Concerning DLA systems, we show that the observed gas-phase abundances of silicon, normalized to volatile elements (zinc and sulfur), are in agreement with our model. (iv) The abundances of iron and silicon in DLA systems suggest that the two elements undergo a different history of dust formation and evolution. Our work casts light on the nature of iron-rich dust: the observed depletion pattern of iron is well reproduced only when an additional source of iron dust is considered. Here we explore the possibility of a contribution from Type Ia SNe as well as an efficient accretion of iron nanoparticles.

  5. Inflow, Outflow, Yields, and Stellar Population Mixing in Chemical Evolution Models

    CERN Document Server

    Andrews, Brett H; Schönrich, Ralph; Johnson, Jennifer A

    2016-01-01

    Chemical evolution models are powerful tools for interpreting stellar abundance surveys and understanding galaxy evolution. However, their predictions depend heavily on the treatment of inflow, outflow, star formation efficiency (SFE), the IMF, the SNIa delay time distribution, stellar yields, and mixing of stellar populations. Using flexCE, a new, flexible one-zone chemical evolution code, we investigate the effects of individual parameters and the trade-offs between them. Two of the most important parameters are the SFE and outflow mass-loading parameter, which shift the knee in [O/Fe]-[Fe/H] and the equilibrium abundances, respectively. One-zone models with simple star formation histories follow narrow tracks in [O/Fe]-[Fe/H] that do not match the observed bimodality in this plane. A mix of one-zone models with variations in their inflow timescales and outflow mass-loading parameters, as motivated by the inside-out galaxy formation scenario with radial mixing, reproduces the high- and low-alpha sequences b...

  6. A simple multistage closed-(box+reservoir model of chemical evolution

    Directory of Open Access Journals (Sweden)

    Caimmi R.

    2011-01-01

    Full Text Available Simple closed-box (CB models of chemical evolution are extended on two respects, namely (i simple closed-(box+reservoir (CBR models allowing gas outflow from the box into the reservoir (Hartwick 1976 or gas inflow into the box from the reservoir (Caimmi 2007 with rate proportional to the star formation rate, and (ii simple multistage closed-(box+reservoir (MCBR models allowing different stages of evolution characterized by different inflow or outflow rates. The theoretical differential oxygen abundance distribution (TDOD predicted by the model maintains close to a continuous broken straight line. An application is made where a fictitious sample is built up from two distinct samples of halo stars and taken as representative of the inner Galactic halo. The related empirical differential oxygen abundance distribution (EDOD is represented, to an acceptable extent, as a continuous broken line for two viable [O/H]-[Fe/H] empirical relations. The slopes and the intercepts of the regression lines are determined, and then used as input parameters to MCBR models. Within the errors (-+σ, regression line slopes correspond to a large inflow during the earlier stage of evolution and to low or moderate outflow during the subsequent stages. A possible inner halo - outer (metal-poor bulge connection is also briefly discussed. Quantitative results cannot be considered for applications to the inner Galactic halo, unless selection effects and disk contamination are removed from halo samples, and discrepancies between different oxygen abundance determination methods are explained.

  7. Inflow, Outflow, Yields, and Stellar Population Mixing in Chemical Evolution Models

    Science.gov (United States)

    Andrews, Brett H.; Weinberg, David H.; Schönrich, Ralph; Johnson, Jennifer A.

    2017-02-01

    Chemical evolution models are powerful tools for interpreting stellar abundance surveys and understanding galaxy evolution. However, their predictions depend heavily on the treatment of inflow, outflow, star formation efficiency (SFE), the stellar initial mass function, the SN Ia delay time distribution, stellar yields, and stellar population mixing. Using flexCE, a flexible one-zone chemical evolution code, we investigate the effects of and trade-offs between parameters. Two critical parameters are SFE and the outflow mass-loading parameter, which shift the knee in [O/Fe]–[Fe/H] and the equilibrium abundances that the simulations asymptotically approach, respectively. One-zone models with simple star formation histories follow narrow tracks in [O/Fe]–[Fe/H] unlike the observed bimodality (separate high-α and low-α sequences) in this plane. A mix of one-zone models with inflow timescale and outflow mass-loading parameter variations, motivated by the inside-out galaxy formation scenario with radial mixing, reproduces the two sequences better than a one-zone model with two infall epochs. We present [X/Fe]–[Fe/H] tracks for 20 elements assuming three different supernova yield models and find some significant discrepancies with solar neighborhood observations, especially for elements with strongly metallicity-dependent yields. We apply principal component abundance analysis to the simulations and existing data to reveal the main correlations among abundances and quantify their contributions to variation in abundance space. For the stellar population mixing scenario, the abundances of α-elements and elements with metallicity-dependent yields dominate the first and second principal components, respectively, and collectively explain 99% of the variance in the model. flexCE is a python package available at https://github.com/bretthandrews/flexCE.

  8. Evolution of Autocatalytic Sets in Computational Models of Chemical Reaction Networks.

    Science.gov (United States)

    Hordijk, Wim

    2016-06-01

    Several computational models of chemical reaction networks have been presented in the literature in the past, showing the appearance and (potential) evolution of autocatalytic sets. However, the notion of autocatalytic sets has been defined differently in different modeling contexts, each one having some shortcoming or limitation. Here, we review four such models and definitions, and then formally describe and analyze them in the context of a mathematical framework for studying autocatalytic sets known as RAF theory. The main results are that: (1) RAF theory can capture the various previous definitions of autocatalytic sets and is therefore more complete and general, (2) the formal framework can be used to efficiently detect and analyze autocatalytic sets in all of these different computational models, (3) autocatalytic (RAF) sets are indeed likely to appear and evolve in such models, and (4) this could have important implications for a possible metabolism-first scenario for the origin of life.

  9. Evolution of Autocatalytic Sets in Computational Models of Chemical Reaction Networks

    Science.gov (United States)

    Hordijk, Wim

    2016-06-01

    Several computational models of chemical reaction networks have been presented in the literature in the past, showing the appearance and (potential) evolution of autocatalytic sets. However, the notion of autocatalytic sets has been defined differently in different modeling contexts, each one having some shortcoming or limitation. Here, we review four such models and definitions, and then formally describe and analyze them in the context of a mathematical framework for studying autocatalytic sets known as RAF theory. The main results are that: (1) RAF theory can capture the various previous definitions of autocatalytic sets and is therefore more complete and general, (2) the formal framework can be used to efficiently detect and analyze autocatalytic sets in all of these different computational models, (3) autocatalytic (RAF) sets are indeed likely to appear and evolve in such models, and (4) this could have important implications for a possible metabolism-first scenario for the origin of life.

  10. Chemical Evolution of M31

    CERN Document Server

    Matteucci, F

    2014-01-01

    We review chemical evolution models developed for M31 as well as the abundance determinations available for this galaxy. Then we present a recent chemical evolution model for M31 including radial gas flows and galactic fountains along the disk, as well as a model for the bulge. Our models are predicting the evolution of the abundances of several chemical species such as H, He, C, N, O, Ne, Mg, Si, S, Ca and Fe. From comparison between model predictions and observations we can derive some constraints on the evolution of the disk and the bulge of M31. We reach the conclusions that Andromeda must have evolved faster than the Milky Way and inside-out, and that its bulge formed much faster than the disk on a timescale $\\leq$ 0.5 Gyr. Finally, we present a study where we apply the model developed for the disk of M31 in order to study the probability of finding galactic habitable zones in this galaxy.

  11. Beverton-Holt discrete pest management models with pulsed chemical control and evolution of pesticide resistance

    Science.gov (United States)

    Liang, Juhua; Tang, Sanyi; Cheke, Robert A.

    2016-07-01

    Pest resistance to pesticides is usually managed by switching between different types of pesticides. The optimal switching time, which depends on the dynamics of the pest population and on the evolution of the pesticide resistance, is critical. Here we address how the dynamic complexity of the pest population, the development of resistance and the spraying frequency of pulsed chemical control affect optimal switching strategies given different control aims. To do this, we developed novel discrete pest population growth models with both impulsive chemical control and the evolution of pesticide resistance. Strong and weak threshold conditions which guarantee the extinction of the pest population, based on the threshold values of the analytical formula for the optimal switching time, were derived. Further, we addressed switching strategies in the light of chosen economic injury levels. Moreover, the effects of the complex dynamical behaviour of the pest population on the pesticide switching times were also studied. The pesticide application period, the evolution of pesticide resistance and the dynamic complexity of the pest population may result in complex outbreak patterns, with consequent effects on the pesticide switching strategies.

  12. Introduction to Galactic Chemical Evolution

    Science.gov (United States)

    Matteucci, Francesca

    2016-04-01

    In this lecture I will introduce the concept of galactic chemical evolution, namely the study of how and where the chemical elements formed and how they were distributed in the stars and gas in galaxies. The main ingredients to build models of galactic chemical evolution will be described. They include: initial conditions, star formation history, stellar nucleosynthesis and gas flows in and out of galaxies. Then some simple analytical models and their solutions will be discussed together with the main criticisms associated to them. The yield per stellar generation will be defined and the hypothesis of instantaneous recycling approximation will be critically discussed. Detailed numerical models of chemical evolution of galaxies of different morphological type, able to follow the time evolution of the abundances of single elements, will be discussed and their predictions will be compared to observational data. The comparisons will include stellar abundances as well as interstellar medium ones, measured in galaxies. I will show how, from these comparisons, one can derive important constraints on stellar nucleosynthesis and galaxy formation mechanisms. Most of the concepts described in this lecture can be found in the monograph by Matteucci (2012).

  13. Extremely Metal-Poor Stars and a Hierarchical Chemical Evolution Model

    CERN Document Server

    Komiya, Yutaka

    2011-01-01

    Early phases of the chemical evolution and formation history of extremely metal poor (EMP) stars are investigated using hierarchical galaxy formation models. We build a merger tree of the Galaxy according to the extended Press-Schechter theory. We follow the chemical evolution along the tree, and compare the model results to the metallicity distribution function (MDF) and abundance ratio distribution of the Milky Way halo. We adopt three different initial mass functions (IMFs). In a previous studies, we argue that typical mass of EMP stars should be high-mass(~10Msun) based on studies of binary origin carbon-rich EMP stars. In this study, we show that only the high-mass IMF can explain a observed small number of EMP stars. For relative element abundances, the high-mass IMF and the Salpeter IMF predict similar distributions. We also investigate dependence on nucleosynthetic yields of supernovae (SNe). The theoretical SN yields by Kobayashi et al.(2006) and Chieffi & Limonge (2004) show reasonable agreement...

  14. Simple MCBR models of chemical evolution: an application to the thin and the thick disk

    CERN Document Server

    Caimmi, R

    2012-01-01

    Simple MCBR models of chemical evolution are extended to the limit of dominant gas inflow or outflow with respect to gas locked up into long-lived stars and remnants. For an assigned empirical differential oxygen abundance distribution, which can be linearly fitted, a family of theoretical curves is built up with assigned prescriptions. For curves with increasing cut parameter, the gas mass fraction locked up into long-lived stars and remnants is found to attain a maximum and then decrease towards zero as the flow tends to infinity, while the remaining parameters show a monotonic trend. The theoretical integral oxygen abundance distribution is also expressed. An application is performed to the empirical distribution deduced from two different samples of disk stars, for both the thin and the thick disk. The constraints on formation and evolution are discussed in the light of the model. The evolution is tentatively subdivided into four stages, A, F, C, E. The empirical distribution related to any stage is fitte...

  15. Galactic Chemical Evolution

    CERN Document Server

    Gibson, B K; Renda, A; Kawata, D; Lee, H; Gibson, Brad K.; Fenner, Yeshe; Renda, Agostino; Kawata, Daisuke; Lee, Hyun-chul

    2003-01-01

    The primary present-day observables upon which theories of galaxy evolution are based are a system's morphology, dynamics, colour, and chemistry. Individually, each provides an important constraint to any given model; in concert, the four represent a fundamental (intractable) boundary condition for chemodynamical simulations. We review the current state-of-the-art semi-analytical and chemodynamical models for the Milky Way, emphasising the strengths and weaknesses of both approaches.

  16. Evolution of the quaternary magmatic system, Mineral Mountains, Utah: Interpretations from chemical and experimental modeling

    Energy Technology Data Exchange (ETDEWEB)

    Nash, W.P.; Crecraft, H.R.

    1982-09-01

    The evolution of silicic magmas in the upper crust is characterized by the establishment of chemical and thermal gradients in the upper portion of magma chambers. The chemical changes observed in rhyolite magmas erupted over a period of 300,000 years in the Mineral Mountains are similar to those recorded at Twin Peaks, Utah, and in the spatially zoned Bishop Tuff from Long Valley, California. Chemical and fluid dynamic models indicate that cooling of a silicic magma body from the top and sides can result in the formation of a roof zone above a convecting region which is chemically and thermally stratified, as well as highly fractionated and water rich. Crystallization experiments have been performed with sodium carbonate solutions as an analog to crystallization in magmatic systems. Top and side cooling of a homogeneous sodium carbonate solution results in crystallization along the top and sides and upward convection of sodium carbonate-depleted fluid. A stably stratified roof zone, which is increasingly water rich and cooler upwards, develops over a thermally and chemically homogeneous convecting region. Crystallization at the top ultimately ceases, and continued upward convection of water-rich fluid causes a slight undersaturation adjacent to the roof despite cooler temperatures. By analogy, crystallization at the margins of a magma chamber and buoyant rise of the fractionated boundary layer into the roof zone can account for the chemical evolution of the magma system at the Mineral Mountains. To produce compositionally stratified silicic magmas requires thermal input to a silicic system via mafic magmas. The small volume, phenocryst-poor rhyolite magma which persisted for at least 300,000 years in the Mineral Mountains requires the presence of a continued thermal input from a mafic magma source. The presence of silicic lavas signifies that there is a substantial thermal anomaly both in the crust and upper mantle. The production of silicic lavas requires (1) the

  17. The galactic habitable zone of the Milky Way and M31 from chemical evolution models with gas radial flows

    CERN Document Server

    Spitoni, E; Sozzetti, A

    2014-01-01

    The galactic habitable zone is defined as the region with sufficient abundance of heavy elements to form planetary systems in which Earth-like planets could be born and might be capable of sustaining life, after surviving to close supernova explosion events. Galactic chemical evolution models can be useful for studying the galactic habitable zones in different systems. We apply detailed chemical evolution models including radial gas flows to study the galactic habitable zones in our Galaxy and M31. We compare the results to the relative galactic habitable zones found with "classical" (independent ring) models, where no gas inflows were included. For both the Milky Way and Andromeda, the main effect of the gas radial inflows is to enhance the number of stars hosting a habitable planet with respect to the "classical" model results, in the region of maximum probability for this occurrence, relative to the classical model results. These results are obtained by taking into account the supernova destruction process...

  18. Chemical Evolution of Dwarf Irregular Galaxies chemodynamical models and the effect of gas infall

    CERN Document Server

    Hensler, G; Köppen, J; Hensler, Gerhard; Rieschick, Andreas; K"oppen, Joachim

    1999-01-01

    Because of their low gravitational energies dwarf galaxies are greatly exposed to energetical influences by the interstellar medium, like e.g. stellar radiation, winds or explosions, or by their environment. While the metallicity depletion in dwarf galaxies can be explained in general by supernova-driven galactic winds, the reason for their low N/O ratios at low O abundance is not yet completely understood. Stellar yields enrich the different gas phases with elements that are characteristic for their stellar progenitors. Gas-phase transitions are necessary for a mixing of elements, but depend sensitively on the thermal and dynamical state of the interstellar medium. Models of chemical evolution start usually with a high N/O ratio at low O abundance according to a metal enrichment by ancient stellar populations with traditional yields, but can only reproduce the N/O-O peculiarity by the stepwise element release and mostly by the application of multiple starbursts in order to account also for a selective elemen...

  19. Beverton-Holt discrete pest management models with pulsed chemical control and evolution of pesticide resistance

    OpenAIRE

    Liang, Juhua; Tang, Sanyi; Cheke, Robert

    2016-01-01

    Pest resistance to pesticides is usually managed by switching between different types of pesticides. The optimal switching time, which depends on the dynamics of the pest population and on the evolution of the pesticide resistance, is critical. Here we address how the dynamic complexity of the pest population, the development of resistance and the spraying frequency of pulsed chemical control affect optimal switching strategies given different control aims. To do this, we developed novel disc...

  20. Mercury's thermo-chemical evolution from numerical models constrained by Messenger observations

    Science.gov (United States)

    Tosi, N.; Breuer, D.; Plesa, A. C.; Wagner, F.; Laneuville, M.

    2012-04-01

    The Messenger spacecraft, in orbit around Mercury for almost one year, has been delivering a great deal of new information that is changing dramatically our understanding of the solar system's innermost planet. Tracking data of the Radio Science experiment yielded improved estimates of the first coefficients of the gravity field that permit to determine the normalized polar moment of inertia of the planet (C/MR2) and the ratio of the moment of inertia of the mantle to that of the whole planet (Cm/C). These two parameters provide a strong constraint on the internal mass distribution and, in particular, on the core mass fraction. With C/MR2 = 0.353 and Cm/C = 0.452 [1], interior structure models predict a core radius as large as 2000 km [2], leaving room for a silicate mantle shell with a thickness of only ~ 400 km, a value significantly smaller than that of 600 km usually assumed in parametrized [3] as well as in numerical models of Mercury's mantle dynamics and evolution [4]. Furthermore, the Gamma-Ray Spectrometer measured the surface abundance of radioactive elements, revealing, besides uranium and thorium, the presence of potassium. The latter, being moderately volatile, rules out traditional formation scenarios from highly refractory materials, favoring instead a composition not much dissimilar from a chondritic model. Considering a 400 km thick mantle, we carry out a large series of 2D and 3D numerical simulations of the thermo-chemical evolution of Mercury's mantle. We model in a self-consistent way the formation of crust through partial melting using Lagrangian tracers to account for the partitioning of radioactive heat sources between mantle and crust and variations of thermal conductivity. Assuming the relative surface abundance of radiogenic elements observed by Messenger to be representative of the bulk mantle composition, we attempt at constraining the degree to which uranium, thorium and potassium are concentrated in the silicate mantle through a broad

  1. The Chemical Evolution of Phosphorus

    CERN Document Server

    Jacobson, Heather R; Frebel, Anna; Roederer, Ian U; Cescutti, Gabriele; Matteucci, Francesca

    2014-01-01

    Phosphorus is one of the few remaining light elements for which little is known about its nucleosynthetic origin and chemical evolution, given the lack of optical absorption lines in the spectra of long-lived FGK-type stars. We have identified a P I doublet in the near-ultraviolet (2135/2136 A) that is measurable in stars of low metallicity. Using archival Hubble Space Telescope-STIS spectra, we have measured P abundances in 13 stars spanning -3.3 <= [Fe/H] <= -0.2, and obtained an upper limit for a star with [Fe/H] ~ -3.8. Combined with the only other sample of P abundances in solar-type stars in the literature, which spans a range of -1 <= [Fe/H] <= +0.2, we compare the stellar data to chemical evolution models. Our results support previous indications that massive-star P yields may need to be increased by a factor of a few to match stellar data at all metallicities. Our results also show that hypernovae were important contributors to the P production in the early universe. As P is one of the ke...

  2. Simple multistage closed-(box+reservoir) models of chemical evolution: an application to the inner Galactic halo

    CERN Document Server

    Caimmi, R

    2010-01-01

    Simple closed-box (CB) models of chemical evolution are extended on two respects: (i) simple closed-(box+reservoir) (CBR) models allowing gas outflow from the box into the reservoir or gas inflow into the box from the reservoir with same composition as the preexisting gas and rate proportional to the star formation rate, and (ii) simple multistage closed-(box+reservoir) (MCBR) models allowing different stages of evolution characterized by different inflow or outflow rates. The stellar initial mass function is assumed to be universal, and mass conservation holds for the whole system (box+reservoir) while it is violated for each subsystem (box and reservoir). The theoretical differential oxygen abundance distribution (TDOD) predicted by the model, under the assumption of instantaneous recycling, is a continuous broken line, where different slopes are related to different inflow rates. For an application of the model (a) a fictitious sample is built up from two distinct samples and taken as representative of the...

  3. Concrete Chemical Evolution

    Energy Technology Data Exchange (ETDEWEB)

    D.H. Tang

    1998-07-31

    The objectives of this analysis are to discuss and evaluate testing results that were performed for the M&O by the Pennsylvania State University (PSU) to evaluate the potential long-term evolution of organic admixtures in cementitious materials at elevated temperatures. The testing was designed to help provide a basis for a determination by the Performance Assessment group (PA) of the long-term acceptability and longevity of cementitious materials for repository use. The main purpose of the testing was to assess the evolution of gases (especially CO{sub 2}) from hydrated cement paste at elevated temperatures and to determine the impact on alkalinity, i.e., the pH value of cement paste pore solution. This information in turn can be used as scoping information to determine if further tests of this nature are needed to support PA. As part of this discussion and evaluation of the PSU results, an assessment of alkalinity in a ''cementitious repository'' and an evaluation of organic materials are presented.

  4. Transient and sustained elementary flux mode networks on a catalytic string-based chemical evolution model.

    Science.gov (United States)

    Pereira, José A

    2014-08-01

    Theoretical models designed to test the metabolism-first hypothesis for prebiotic evolution have yield strong indications about the hypothesis validity but could sometimes use a more extensive identification between model objects and real objects towards a more meaningful interpretation of results. In an attempt to go in that direction, the string-based model SSE ("steady state evolution") was developed, where abstract molecules (strings) and catalytic interaction rules are based on some of the most important features of carbon compounds in biological chemistry. The system is open with a random inflow and outflow of strings but also with a permanent string food source. Although specific catalysis is a key aspect of the model, used to define reaction rules, the focus is on energetics rather than kinetics. Standard energy change tables were constructed and used with standard formation reactions to track energy flows through the interpretation of equilibrium constant values. Detection of metabolic networks on the reaction system was done with elementary flux mode (EFM) analysis. The combination of these model design and analysis options enabled obtaining metabolic and catalytic networks showing several central features of biological metabolism, some more clearly than in previous models: metabolic networks with stepwise synthesis, energy coupling, catalysts regulation, SN2 coupling, redox coupling, intermediate cycling, coupled inverse pathways (metabolic cycling), autocatalytic cycles and catalytic cascades. The results strongly suggest that the main biological metabolism features, including the genotype-phenotype interpretation, are caused by the principles of catalytic systems and are prior to modern genetic systems principles. It also gives further theoretical support to the thesis that the basic features of biologic metabolism are a consequence of the time evolution of a random catalyst search working on an open system with a permanent food source. The importance

  5. Chemical Evolution Library for Galaxy Formation Simulation

    Science.gov (United States)

    Saitoh, Takayuki R.

    2017-02-01

    We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as initial mass functions, stellar lifetimes, yields from Type II and Type Ia supernovae, asymptotic giant branch stars, and neutron star mergers, are compiled from the literature. Various models are pre-implemented in this library so that users can choose their favorite combination of models. Subroutines of this library return released energy and masses of individual elements depending on a given event type. Since the redistribution manner of these quantities depends on the implementation of users’ simulation codes, this library leaves it up to the simulation code. As demonstrations, we carry out both one-zone, closed-box simulations and 3D simulations of a collapsing gas and dark matter system using this library. In these simulations, we can easily compare the impact of individual models on the chemical evolution of galaxies, just by changing the control flags and parameters of the library. Since this library only deals with the part of chemical evolution under the SSP approximation, any simulation codes that use the SSP approximation—namely, particle-base and mesh codes, as well as semianalytical models—can use it. This library is named “CELib” after the term “Chemical Evolution Library” and is made available to the community.

  6. The Chemical Evolution of the Milky Way

    CERN Document Server

    Tosi, M P

    1999-01-01

    The field of chemical evolution modeling of the Galaxy is experiencing in the last years a phase of high activity and important achievements. There are, however, several open questions which still need to be answered. In this review I summarize what have been the most important achievements and what are some of the most urgent questions to be answered.

  7. Chemical evolution of star clusters

    OpenAIRE

    van Loon, Jacco Th.

    2009-01-01

    I discuss the chemical evolution of star clusters, with emphasis on old globular clusters, in relation to their formation histories. Globular clusters clearly formed in a complex fashion, under markedly different conditions from any younger clusters presently known. Those special conditions must be linked to the early formation epoch of the Galaxy and must not have occurred since. While a link to the formation of globular clusters in dwarf galaxies has been suggested, present-day dwarf galaxi...

  8. Modeling the chemical evolution of Omega Centauri using three-dimensional hydrodynamical simulations

    CERN Document Server

    Marcolini, A; D'Ercole, A; Gibson, B K; Ferraro, F R

    2007-01-01

    We present a hydrodynamical and chemical model for the globular cluster Omega Cen, under the assumption that it is the remnant of an ancient dwarf spheroidal galaxy (dSph), the bulk of which was disrupted and accreted by our Galaxy ~10 Gyr ago. We highlight the very different roles played by Type II and Type Ia supernovae (SNe) in the chemical enrichment of the inner regions of the putative parent dSph. While the SNe II pollute the interstellar medium rather uniformly, the SNe Ia ejecta may remain confined inside dense pockets of gas as long as succesive SNe II explosions spread them out. Stars forming in such pockets have lower alpha-to-iron ratios than the stars forming elsewhere. Owing to the inhomogeneous pollution by SNe Ia, the metal distribution of the stars in the central region differs substantially from that of the main population of the dwarf galaxy, and resembles that observed in Omega Cen. This inhomogeneous mixing is also responsible for a radial segregation of iron-rich stars with depleted [alp...

  9. Chemical Evolution of the Juvenile Universe

    CERN Document Server

    Wasserburg, G J

    2009-01-01

    Only massive stars contribute to the chemical evolution of the juvenile universe corresponding to [Fe/H]-0.32. Recent observations show that there are stars with [Sr/Fe]<-2 and [Fe/H]<-3. This proves that the two-component model is not correct and that a third component is necessary to explain the observations. This leads to a simple three-component model including low-mass and normal SNe II and hypernovae (HNe), which gives a good description of essentially all the data for stars with [Fe/H]<-1.5. We conclude that HNe are more important than normal SNe II in the chemical evolution of the low-A elements, in sharp distinction to earlier models. (Abridged)

  10. New analytical solutions for chemical evolution models: characterizing the population of star-forming and passive galaxies

    Science.gov (United States)

    Spitoni, E.; Vincenzo, F.; Matteucci, F.

    2017-02-01

    Context. Analytical models of chemical evolution, including inflow and outflow of gas, are important tools for studying how the metal content in galaxies evolves as a function of time. Aims: We present new analytical solutions for the evolution of the gas mass, total mass, and metallicity of a galactic system when a decaying exponential infall rate of gas and galactic winds are assumed. We apply our model to characterize a sample of local star-forming and passive galaxies from the Sloan Digital Sky Survey data, with the aim of reproducing their observed mass-metallicity relation. Methods: We derived how the two populations of star-forming and passive galaxies differ in their particular distribution of ages, formation timescales, infall masses, and mass loading factors. Results: We find that the local passive galaxies are, on average, older and assembled on shorter typical timescales than the local star-forming galaxies; on the other hand, the star-forming galaxies with higher masses generally show older ages and longer typical formation timescales compared than star-forming galaxies with lower masses. The local star-forming galaxies experience stronger galactic winds than the passive galaxy population. Exploring the effect of assuming different initial mass functions in our model, we show that to reproduce the observed mass-metallicity relation, stronger winds are requested if the initial mass function is top-heavy. Finally, our analytical models predict the assumed sample of local galaxies to lie on a tight surface in the 3D space defined by stellar metallicity, star formation rate, and stellar mass, in agreement with the well-known fundamental relation from adopting gas-phase metallicity. Conclusions: By using a new analytical model of chemical evolution, we characterize an ensemble of SDSS galaxies in terms of their infall timescales, infall masses, and mass loading factors. Local passive galaxies are, on average, older and assembled on shorter typical

  11. Characterizing the local population of star-forming and passive galaxies with analytical models of chemical evolution

    CERN Document Server

    Spitoni, E; Matteucci, F

    2016-01-01

    Analytical models of chemical evolution, including inflow and outflow of gas, are important tools to study how the metal content in galaxies evolves as a function of time. In this work, we present new analytical solutions for the evolution of the gas mass, total mass and metallicity of a galactic system, when a decaying exponential infall rate of gas and galactic winds are assumed. We apply our model to characterize a sample of local star-forming and passive galaxies from the Sloan Digital Sky Survey data, with the aim of reproducing their observed mass-metallicity relation; in this way, we can derive how the two populations of star-forming and passive galaxies differ in their particular distribution of ages, formation time scales, infall masses and mass loading factors. We find that the local passive galaxies are on average older and assembled on shorter typical time-scales than the local star-forming ones; on the other hand, the larger mass star-forming galaxies show generally older ages and longer typical ...

  12. Models of disk chemical evolution focusing the pure dynamical radial mixing

    Directory of Open Access Journals (Sweden)

    Re Fiorentin P.

    2012-02-01

    Full Text Available We performed N-body simulations to study the dynamical evolution of a stellar disk inside a Dark Matter (DM halo. Our results evidence how a standard -radially decreasing- metallicity gradient produces a negative vϕ vs. [Fe/H] correlation, similar to that shown by the thin disk stars, while an inverse radial gradient generates a positive rotation-metallicity correlation, as that observed in the old thick population.

  13. Chemical Evolution in Hierarchical Models Of Cosmic Structure I: Constraints on the Early Stellar Initial Mass Function

    CERN Document Server

    Tumlinson, J

    2006-01-01

    I present a new Galactic chemical evolution model motivated by and grounded in the hierarchical theory of galaxy formation, as expressed by a halo merger history of the Galaxy. This model accurately reproduces the "metallicity distribution function" (MDF) for Population II stars residing today in the Galactic halo. The observed MDF and the apparent absence of true Population III stars from the halo strongly imply that there is some critical metallicity, Z_crit = 8 - 42 Msun. This mass range is similar to the masses predicted by models of primordial star formation that account for formation feedback. The model also implies that metal-poor halo stars below [Fe/H] <~ -3 had only 1 - 10 metal-free stars as their supernova precursors, such that the relative abundances in these halo stars exhibit IMF-weighted averages over the intrinsic yields of the first supernovae. This paper is the first part of a long term project to connect the high-redshift in situ indicators of early star formation with the low-z, old r...

  14. Chemical evolution of star clusters

    CERN Document Server

    van Loon, Jacco Th

    2009-01-01

    I discuss the chemical evolution of star clusters, with emphasis on old globular clusters, in relation to their formation histories. Globular clusters clearly formed in a complex fashion, under markedly different conditions from any younger clusters presently known. Those special conditions must be linked to the early formation epoch of the Galaxy and must not have occurred since. While a link to the formation of globular clusters in dwarf galaxies has been suggested, present-day dwarf galaxies are not representative of the gravitational potential wells within which the globular clusters formed. Instead, a formation deep within the proto-Galaxy or within dark-matter minihaloes might be favoured. Not all globular clusters may have formed and evolved similarly. In particular, we may need to distinguish Galactic halo from Galactic bulge clusters.

  15. Chemical evolution of star clusters.

    Science.gov (United States)

    van Loon, Jacco Th

    2010-02-28

    I discuss the chemical evolution of star clusters, with emphasis on old Galactic globular clusters (GCs), in relation to their formation histories. GCs are clearly formed in a complex fashion, under markedly different conditions from any younger clusters presently known. Those special conditions must be linked to the early formation epoch of the Galaxy and must not have occurred since. While a link to the formation of GCs in dwarf galaxies has been suggested, present-day dwarf galaxies are not representative of the gravitational potential wells within which the GCs formed. Instead, a formation deep within the proto-Galaxy or within dark-matter mini-haloes might be favoured. Not all GCs may have formed and evolved similarly. In particular, we may need to distinguish Galactic Halo from Galactic Bulge clusters.

  16. Abundance Ratios in Stars vs. Hot Gas in Elliptical Galaxies: the Chemical Evolution Modeller Point of View

    CERN Document Server

    Pipino, A

    2009-01-01

    I will present predictions from chemical evolution model aimed at a self-consistent study of both optical (i.e. stellar) and X-ray (i.e.gas) properties of present-day elliptical galaxies. Detailed cooling and heating processes in the interstellar medium (ISM) are taken into and allow a reliable modelling of the SN-driven galactic wind. SNe Ia activity, in fact, may power a galactic wind lasting for a considerable amount of the galactic lifetime, even in the case for which the efficiency of energy transfer into the ISM per SN Ia event is less than unity. The model simultaneously reproduces the mass-metallicity, the colour-magnitude, the L_X - L_B and the L_X - T relations, as well as the observed trend of the [Mg/Fe] ratio as a function of sigma, by adopting the prescriptions of Pipino & Matteucci (2004) for the gas infall and star formation timescales. The "iron discrepancy", namely the too high predicted iron abundance in X-ray haloes of ellipticals compared to observations, can be solved by taking into ...

  17. CELib: Software library for simulations of chemical evolution

    Science.gov (United States)

    Saitoh, Takayuki R.

    2016-12-01

    CELib (Chemical Evolution Library) simulates chemical evolution of galaxy formation under the simple stellar population (SSP) approximation and can be used by any simulation code that uses the SSP approximation, such as particle-base and mesh codes as well as semi-analytical models. Initial mass functions, stellar lifetimes, yields from type II and Ia supernovae, asymptotic giant branch stars, and neutron star mergers components are included and a variety of models are available for use. The library allows comparisons of the impact of individual models on the chemical evolution of galaxies by changing control flags and parameters of the library.

  18. Chemical Evolution of Blue Compact Galaxies

    Institute of Scientific and Technical Information of China (English)

    Fei Shi; Xu Kong; Fu-Zhen Cheng

    2006-01-01

    Based on a sample of 72 Blue Compact Galaxies (BCGs) observed with the 2.16 m telescope of the National Astronomical Observatories, Chinese Academy of Sciences (NAOC) and about 4000 strong emission line galaxies from the Sloan Digital Sky Survey,we analyzed their chemical evolution history using the revised chemical evolution model of Larsen et al. Our sample covers a much larger metallicity range (7.2<12+log(O/H) <9.0). We found that, in order to reproduce the observed abundance pattern and gas fraction over the whole metallicity range, a relatively continuous star formation history is needed for high metallicity galaxies, while assuming a series of instantaneous bursts with long quiescent periods (some Gyrs) for low metallicity galaxies. Model calculations also show that only the closed-box model is capable of reproducing the observational data over the whole metallicity range. Models that consider the ordinary winds and/or inflow can only fit the observations in the low metallicity range, and a model with enriched wind cannot fit the data in the whole metallicity range. This implies that the current adopted simple wind and inflow models are not applicable to massive galaxies, where the underlying physics of galactic winds or inflow could be more complicated.

  19. Equilibrium and Sudden Events in Chemical Evolution

    CERN Document Server

    Weinberg, David H; Freudenburg, Jenna

    2016-01-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models and explore their implications. In contrast to existing analytic models, we incorporate a realistic delay time distribution for Type Ia supernovae (SNIa) and can therefore track the separate evolution of $\\alpha$-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNIa. In generic cases, $\\alpha$ and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter $\\eta$, while the equilibrium abundance ratio [$\\alpha$/Fe] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Sy...

  20. Galaxy Formation and Chemical Evolution in Hierarchical Hydrodynamical Simulations

    CERN Document Server

    Cora, S A; Tissera, P B; Lambas, D G

    2000-01-01

    We report first results of an implementation of a chemical model in a cosmological code, based on the Smoothed Particle Hydrodynamics (SPH) technique. We show that chemical SPH simulations are a promising tool to provide clues for the understanding of the chemical properties of galaxies in relation to their formation and evolution in a cosmological framework.

  1. The Chemical Evolution of the Universe

    Science.gov (United States)

    Baker, A. C.; Mathlin, G. P.; Churches, D. K.; Edmunds, M. G.

    2000-12-01

    We have constructed a simple, robust model of the chemical evolution of galaxies from high to low redshift, and applied it to published observations of damped Lyman-alpha quasar absorption line systems (DLAs). The elementary 'monolithic collapse' model assumes quiescent star formation and isolated galaxies (no interactions, mergers or gas flows). These calculations appear in Mathlin, Baker, Churches and Edmunds (2000) (astro-ph/0009226, MNRAS in press), where we also consider the influence of dust and chemical gradients in the galaxies, and hence explore the selection effects in quasar surveys. We fit individual DLA systems to predict observable properties of the absorbing galaxies, and also indicate the expected redshift behaviour of chemical element ratios involving nucleosynthetic time delays. Many DLA absorber galaxies are rather faint and close to the quasar line-of-sight, requiring at least eight-metre class telescopes, and adaptive optics to be detected even in the near-IR. Despite its simplicity, our elementary model gives a good account of the distribution and evolution of the metallicity and column density of DLAs, and of the evolution of the global star formation rate and gas density below redshifts z ~ 3. However, from the comparison of our model with observations, star formation rates at higher redshifts (z > 3) are clearly enhanced in the real Universe. Galaxy interactions and mergers, and gas flows very probably play a major role. We are now engaged in a 'two pronged' attack on the questions raised in Mathlin et al. (2000). As part of the QuickStart Gemini North observations programme, we are acquiring deep, high spatial resolution Hopuka'a/QUIRC K band observations of DLA quasars studied by Mathlin et al. (2000). We are also incorporating merger-induced starburst activity into our chemical evolution models. I will present our latest results from Gemini North, and their interpretation in our revised theoretical framework. Research funded by the UK

  2. Beverton-Holt discrete pest management models with pulsed\\ud chemical control and evolution of pesticide resistance

    OpenAIRE

    Liang, Juhua; Tang, Sanyi; Cheke, Robert

    2016-01-01

    Pest resistance to pesticides is usually managed by switching between different types of pesticides. The optimal switching time, which depends on the dynamics of the pest population and on the evolution of the pesticide resistance, is critical. Here we address how the dynamic complexity of the pest population, the development of resistance and the spraying frequency of pulsed chemical control affect optimal switching strategies given different control aims. To do this, we developed novel disc...

  3. Chemical evolution of the Milky Way and its Satellites

    CERN Document Server

    Matteucci, Francesca

    2008-01-01

    This paper contains the lectures I delivered during the 37th Saas-Fee Advanced Course in March 2007. It reviews all the main ingredients necessary to build galactic chemical evolution models with particular attention to the Milky Way and the dwarf spheroidals of the Local Group. Both analytical and numerical models are discussed. Model results are compared to observations in order to infer constraints on stellar nucleosynthesis and on the formation and evolution of galaxies.Particular attention is devoted to interpret abundance ratios in galaxies with different star formation histories. Finally, the cosmic chemical evolution is discussed

  4. Chemical evolution and the origin of life

    Science.gov (United States)

    Oro, J.

    1983-01-01

    A review is presented of recent advances made in the understanding of the formation of carbon compounds in the universe and the occurrence of processes of chemical evolution. Topics discussed include the principle of evolutionary continuity, evolution as a fundamental principle of the physical universe, the nuclear synthesis of biogenic elements, organic cosmochemistry and interstellar molecules, the solar nebula and the solar system in chemical evolution, the giant planets and Titan in chemical evolution, and comets and their interaction with the earth. Also examined are carbonaceous chondrites, environment of the primitive earth, energy sources available on the primitive earth, the synthesis of biochemical monomers and oligomers, the abiotic transcription of nucleotides, unified prebiotic and enzymatic mechanisms, phospholipids and membranes, and protobiological evolution.

  5. The impact of chemical evolution on the observable properties of stellar populations

    CERN Document Server

    Tosi, M P

    2000-01-01

    The major effects of the chemical evolution of galaxies on the characteristics of their stellar populations are reviewed. A few examples of how the observed stellar properties derived from colour--magnitude diagrams can constrain chemical evolution models are given.

  6. Equilibrium and Sudden Events in Chemical Evolution

    Science.gov (United States)

    Weinberg, David H.; Andrews, Brett H.; Freudenburg, Jenna

    2017-03-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models that incorporate a realistic delay time distribution for Type Ia supernovae (SNe Ia) and can therefore track the separate evolution of α-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNe Ia. Our solutions allow constant, exponential, or linear–exponential ({{te}}-t/{τ {sfh}}) star formation histories, or combinations thereof. In generic cases, α and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter η, while the equilibrium abundance ratio [α /{Fe}] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Systems with ongoing gas accretion develop metallicity distribution functions (MDFs) that are sharply peaked, while “gas starved” systems with rapidly declining star formation, such as the conventional “closed box” model, have broadly peaked MDFs. A burst of star formation that consumes a significant fraction of a system’s available gas and retains its metals can temporarily boost [α /{Fe}] by 0.1–0.3 dex, a possible origin for rare, α-enhanced stars with intermediate age and/or high metallicity. Other sudden transitions in system properties can produce surprising behavior, including backward evolution of a stellar population from high to low metallicity.

  7. Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ model

    Directory of Open Access Journals (Sweden)

    J. T. Kelly

    2010-04-01

    Full Text Available Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-salt particles from the coastal surf zone is known to be elevated compared to that from the open ocean. Despite the importance of sea-salt emissions and chemical processing, the US EPA's Community Multiscale Air Quality (CMAQ model has traditionally treated coarse sea-salt particles as chemically inert and has not accounted for enhanced surf-zone emissions. In this article, updates to CMAQ are described that enhance sea-salt emissions from the coastal surf zone and allow dynamic transfer of HNO3, H2SO4, HCl, and NH3 between coarse particles and the gas phase. Predictions of updated CMAQ models and the previous release version, CMAQv4.6, are evaluated using observations from three coastal sites during the Bay Regional Atmospheric Chemistry Experiment (BRACE in Tampa, FL in May 2002. Model updates improve predictions of NO3, SO42−, NH4+, Na+, and Cl concentrations at these sites with only a 8% increase in run time. In particular, the chemically interactive coarse particle mode dramatically improves predictions of nitrate concentration and size distributions as well as the fraction of total nitrate in the particle phase. Also, the surf-zone emission parameterization improves predictions of total sodium and chloride concentration. Results of a separate study indicate that the model updates reduce the mean absolute error of nitrate predictions at coastal CASTNET and SEARCH sites in the eastern US. Although the new model features improve performance relative to CMAQv4.6, some persistent differences exist between observations and predictions

  8. Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ model

    Directory of Open Access Journals (Sweden)

    J. T. Kelly

    2009-12-01

    Full Text Available Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-salt particles from the coastal surf zone is known to be elevated compared to that from the open ocean. Despite the importance of sea-salt emissions and chemical processing, the US EPA's Community Multiscale Air Quality (CMAQ model has traditionally treated coarse sea-salt particles as chemically inert and has not accounted for enhanced surf-zone emissions. In this article, updates to CMAQ are described that enhance sea-salt emissions from the coastal surf zone and allow dynamic transfer of HNO3, H2SO4, HCl, and NH3 between coarse particles and the gas phase. Predictions of updated CMAQ models and the previous release version, CMAQv4.6, are evaluated using observations from three coastal sites during the Bay Regional Atmospheric Chemistry Experiment (BRACE in Tampa, FL in May 2002. Model updates improve predictions of NO3, SO42−, NH4+, Na+, and Cl concentrations at these sites with only a 8% increase in run time. In particular, the chemically interactive coarse particle mode dramatically improves predictions of nitrate concentration and size distributions as well as the fraction of total nitrate in the particle phase. Also, the surf-zone emission parameterization improves predictions of total sodium and chloride concentration. Results of a separate study indicate that the model updates reduce the mean absolute error of nitrate predictions at coastal CASTNET and SEARCH sites in the eastern US. Although the new model features improve performance relative to CMAQv4.6, some persistent differences exist between observations and predictions

  9. Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ) model

    Science.gov (United States)

    Kelly, J. T.; Bhave, P. V.; Nolte, C. G.; Shankar, U.; Foley, K. M.

    2010-04-01

    Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-salt particles from the coastal surf zone is known to be elevated compared to that from the open ocean. Despite the importance of sea-salt emissions and chemical processing, the US EPA's Community Multiscale Air Quality (CMAQ) model has traditionally treated coarse sea-salt particles as chemically inert and has not accounted for enhanced surf-zone emissions. In this article, updates to CMAQ are described that enhance sea-salt emissions from the coastal surf zone and allow dynamic transfer of HNO3, H2SO4, HCl, and NH3 between coarse particles and the gas phase. Predictions of updated CMAQ models and the previous release version, CMAQv4.6, are evaluated using observations from three coastal sites during the Bay Regional Atmospheric Chemistry Experiment (BRACE) in Tampa, FL in May 2002. Model updates improve predictions of NO3-, SO42-, NH4+, Na+, and Cl- concentrations at these sites with only a 8% increase in run time. In particular, the chemically interactive coarse particle mode dramatically improves predictions of nitrate concentration and size distributions as well as the fraction of total nitrate in the particle phase. Also, the surf-zone emission parameterization improves predictions of total sodium and chloride concentration. Results of a separate study indicate that the model updates reduce the mean absolute error of nitrate predictions at coastal CASTNET and SEARCH sites in the eastern US. Although the new model features improve performance relative to CMAQv4.6, some persistent differences exist between observations and predictions. Modeled sodium concentration is biased low and causes under-prediction of coarse particle nitrate. Also, CMAQ over-predicts geometric mean diameter and

  10. Chemically homogeneous evolution in massive binaries

    CERN Document Server

    de Mink, S E; Langer, N; Pols, O R

    2010-01-01

    Rotation can have severe consequences for the evolution of massive stars. It is now considered as one of the main parameters, alongside mass and metallicity that determine the final fate of single stars. In massive, fast rotating stars mixing processes induced by rotation may be so efficient that helium produced in the center is mixed throughout the envelope. Such stars evolve almost chemically homogeneously. At low metallicity they remain blue and compact, while they gradually evolve into Wolf-Rayet stars and possibly into progenitors of long gamma-ray bursts. In binaries this type of evolution may occur because of (I) tides in very close binaries, as a result of (II) spin up by mass transfer, as result of (III) a merger of the two stars and (IV) when one of the components in the binary was born with a very high initial rotation rate. As these stars stay compact, the evolutionary channels are very different from what classical binary evolutionary models predict. In this contribution we discuss examples of ne...

  11. Synthetic photometry for M and K giants and stellar evolution: hydrostatic dust-free model atmospheres and chemical abundances

    Science.gov (United States)

    Aringer, B.; Girardi, L.; Nowotny, W.; Marigo, P.; Bressan, A.

    2016-04-01

    Based on a grid of hydrostatic spherical COMARCS models for cool stars, we have calculated observable properties of these objects, which will be mainly used in combination with stellar evolution tracks and population synthesis tools. The high-resolution opacity sampling and low-resolution convolved spectra as well as bolometric corrections for a large number of filter systems are made electronically available. We exploit those data to study the effect of mass, C/O ratio and nitrogen abundance on the photometry of K and M giants. Depending on effective temperature, surface gravity and the chosen wavelength ranges, variations of the investigated parameters cause very weak to moderate and, in the case of C/O values close to 1, even strong shifts of the colours. For the usage with stellar evolution calculations, they will be treated as correction factors applied to the results of an interpolation in the main quantities. When we compare the synthetic photometry to observed relations and to data from the Galactic bulge, we find in general a good agreement. Deviations appear for the coolest giants showing pulsations, mass-loss and dust shells, which cannot be described by hydrostatic models.

  12. Synthetic photometry for M and K giants and stellar evolution: hydrostatic dust-free model atmospheres and chemical abundances

    CERN Document Server

    Aringer, Bernhard; Nowotny, Walter; Marigo, Paola; Bressan, Alessandro

    2016-01-01

    Based on a grid of hydrostatic spherical COMARCS models for cool stars we have calculated observable properties of these objects, which will be mainly used in combination with stellar evolution tracks and population synthesis tools. The high resolution opacity sampling and low resolution convolved spectra as well as bolometric corrections for a large number of filter systems are made electronically available. We exploit those data to study the effect of mass, C/O ratio and nitrogen abundance on the photometry of K and M giants. Depending on effective temperature, surface gravity and the chosen wavelength ranges variations of the investigated parameters cause very weak to moderate and, in the case of C/O values close to one, even strong shifts of the colours. For the usage with stellar evolution calculations they will be treated as correction factors applied to the results of an interpolation in the main quantities. When we compare the synthetic photometry to observed relations and to data from the Galactic Bu...

  13. Chemical and mass evolution of galaxies

    CERN Document Server

    Ziegler, B L

    2004-01-01

    An introduction is given to projects investigating galaxy evolution quantitatively by spectroscopic observations of very distant galaxies that have weak apparent brightnesses and small sizes as it is feasible with 10m-class telescopes like SALT. Such methods encompass scaling relations like the Tully-Fisher and Fundamental Plane relations that can be utilized to determine the luminosity evolution and mass assembly of galaxies. The stellar populations can be analyzed with respect to age, metallicity, and chemical enrichment by measureing absorption line strengths. Possible effects on galaxy evolution of the environment in rich clusters of galaxies compared to the field are also addressed. For each method, recent applications are presented like the evolution of the TFR determined with 77 field spirals up to z=1, a study of the internal kinematics of distant cluster spirals and a comparison of the stellar populations of ellipticals in the field and in rich clusters at z=0.4.

  14. The Chemical Evolution of Dynamically Hot Galaxies

    Directory of Open Access Journals (Sweden)

    Michael G. Richer

    2001-01-01

    Full Text Available We investigate the chemical properties of M32, the bulges of M31 and the Milky Way, and the dwarf spheroidal galaxies NGC 205, NGC 185, Sagittarius, and Fornax using oxygen abundances for their planetary nebulae. Our principal result is that the mean stellar oxygen abundances correlate very well with thei r mean velocity dispersions, implying that the balance between energy input from type II supernovae and the gravitational potential controls chemical evolution in bulges, ellipticals, and dwarf spheroidals. It appears that chemical evolution ceases once supernovae have injected sufficient energy that a galacti c wind develops. All of the galaxies follow a single relation between oxygen abundance and luminosity, but the dwarf spheroidals have systematically higher [O/Fe] ratios than the other galaxies. Consequently, dynamically hot galaxies do not share a common star formation history nor need to a common chemical evolution, despite attaining similar mean stellar oxygen abundances when formin g similar masses. The oxygen abundances support previous indications that stars in higher luminosity ellipticals and bulges were formed on a shorter time scale than their counterparts in less luminous systems.

  15. Retrocausality in Quantum Phenomena and Chemical Evolution

    Directory of Open Access Journals (Sweden)

    Koichiro Matsuno

    2016-10-01

    Full Text Available The interplay between retrocausality and the time-reversal symmetry of the dynamical law of quantum mechanics underscores the significance of the measurement dynamics with the use of indivisible and discrete quantum particles to be mediated. One example of empirical evidence demonstrating the significance of retrocausality going along with time-reversal symmetry is seen in the operation of a reaction cycle to be expected in chemical evolution. A reaction cycle can hold itself when the causative operation of the cycle remains robust, even when facing frequent retrocausal interventions of a quantum-mechanical origin. Quantum mechanics in and of itself has potential in raising a reaction cycle in the prebiotic phase of chemical evolution, even without any help of artefactual scaffoldings of an external origin.

  16. Soluble minerals in chemical evolution. I - Adsorption of 5-prime-AMP on CaSO4 - A model system

    Science.gov (United States)

    Orenberg, J. B.; Chan, S.; Calderon, J.; Lahav, N.

    1985-01-01

    The adsorption of 5-prime-AMP onto solid CaSO4-2H2O was studied in a saturated suspension as a function of pH and electrolyte concentration. The adsorption is pH-dependent and is directly correlated with the charge on the 5-prime-AMP molecule which is determined by the state of protonation of the N-1 nitrogen of the purine ring and the phosphate oxygens. It is proposed that the binding that occurs between the nucleotide and the salt is electrostatic in nature. The adsorption decreases with increasing ionic strength of the solution which means that in a fluctuating environment of wetting and drying cycles, a biomolecule similar to 5-prime-AMP could be expected to desorb during the drying phase. The results indicate that CaSO4-2H2O can serve as a concentrating surface for biomolecules. The significance of this is discussed with regard to the possible role of soluble minerals and their surfaces in a geochemical model consistent with the evolution of the earth and the origin of life.

  17. The influence of binaries on galactic chemical evolution

    CERN Document Server

    De Donder, E; Donder, Erwin De; Vanbeveren, Dany

    2004-01-01

    Understanding the galaxy in which we live is one of the great intellectual challenges facing modern science. With the advent of high quality observational data, the chemical evolution modeling of our galaxy has been the subject of numerous studies in the last years. However, all these studies have one missing element which is the evolution of close binaries. Reason: their evolution is very complex and single stars only perhaps can do the job. (Un)Fortunately at present we know that the majority of the observed stars are members of a binary or multiple system and that certain objects can only be formed through binary evolution. Therefore galactic studies that do not account for close binary evolution may be far from realistic. Because of the large expertise developed through the years in stellar evolution in general and binary evolution in particular at the Brussels Astrophysical Institute, we found ourselves in a privileged position to be the first to do chemical evolutionary simulations with the inclusion of...

  18. Quantifying the uncertainties of chemical evolution studies. II. Stellar yields

    CERN Document Server

    Romano, D; Tosi, M; Matteucci, F

    2010-01-01

    This is the second paper of a series which aims at quantifying the uncertainties in chemical evolution model predictions related to the underlying model assumptions. Specifically, it deals with the uncertainties due to the choice of the stellar yields. We adopt a widely used model for the chemical evolution of the Galaxy and test the effects of changing the stellar nucleosynthesis prescriptions on the predicted evolution of several chemical species. We find that, except for a handful of elements whose nucleosynthesis in stars is well understood by now, large uncertainties still affect the model predictions. This is especially true for the majority of the iron-peak elements, but also for much more abundant species such as carbon and nitrogen. The main causes of the mismatch we find among the outputs of different models assuming different stellar yields and among model predictions and observations are: (i) the adopted location of the mass cut in models of type II supernova explosions; (ii) the adopted strength ...

  19. Chemical evolution and meteorites: an update.

    Science.gov (United States)

    Pizzarello, Sandra

    2004-02-01

    Carbonaceous chondrites are a primitive group of meteorites, which contain abundant organic material and provide a unique natural record of prebiotic chemical evolution. This material comprises a varied suite of soluble organic compounds that are similar, sometimes identical, to those found in the biosphere, such as amino acids, carboxylic acids, and sugar derivatives. Some amino acids of this suite also show L-enantiomeric excesses, and suggest the possibility they may have contributed to terrestrial homochirality by direct input of meteoritic material to the early Earth. This optical activity appears to be limited to the subgroup of alpha-methyl amino acids which, although not common in the extant biosphere, would have been well suited to provide the early earth with both enantiomeric excesses and means for their amplification by subsequent chemical evolution. We can also envision this exogenous delivery of carbonaceous material by meteorites and comets as having coincided with the endogenous formation of prebiotic precursors and influenced their evolution by complementary reactions or catalysis.

  20. Chemical Evolution and Meteorites: An Update

    Science.gov (United States)

    Pizzarello, Sandra

    2004-02-01

    Carbonaceous chondrites are a primitive group of meteorites, which contain abundant organic material and provide a unique natural record of prebiotic chemical evolution. This material comprises a varied suite of soluble organic compounds that are similar, sometimes identical, to those found in the biosphere, such as amino acids, carboxylic acids, and sugar derivatives. Some amino acids of this suite also show L-enantiomeric excesses, and suggest the possibility they may have contributed to terrestrial homochirality by direct input of meteoritic material to the early Earth. This optical activity appears to be limited to the subgroup of α-methyl amino acids which, although not common in the extant biosphere, would have been well suited to provide the early earth with both enantiomeric excesses and means for their amplification by subsequent chemical evolution. We can also envision this exogenous delivery of carbonaceous material by meteorites and comets as having coincided with the endogenous formation of prebiotic precursors and influenced their evolution by complementary reactions or catalysis.

  1. Evolution of the habitable zone of low-mass stars. Detailed stellar models and analytical relationships for different masses and chemical compositions

    CERN Document Server

    Valle, G; Moroni, P G Prada; Degl'Innocenti, S

    2014-01-01

    We study the temporal evolution of the habitable zone (HZ) of low-mass stars - only due to stellar evolution - and evaluate the related uncertainties. These uncertainties are then compared with those due to the adoption of different climate models. We computed stellar evolutionary tracks from the pre-main sequence phase to the helium flash at the red-giant branch tip for stars with masses in the range [0.70 - 1.10] Msun, metallicity Z in the range [0.005 - 0.04], and various initial helium contents. We evaluated several characteristics of the HZ, such as the distance from the host star at which the habitability is longest, the duration of this habitability, the width of the zone for which the habitability lasts one half of the maximum, and the boundaries of the continuously habitable zone (CHZ) for which the habitability lasts at least 4 Gyr. We developed analytical models, accurate to the percent level or lower, which allowed to obtain these characteristics in dependence on the mass and the chemical composit...

  2. Thermal and Chemical Evolution of Collapsing Filaments

    Energy Technology Data Exchange (ETDEWEB)

    Gray, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Scannapieco, Evan [Arizona State Univ., Mesa, AZ (United States). School of Earth and Space Exploration

    2013-01-15

    Intergalactic filaments form the foundation of the cosmic web that connect galaxies together, and provide an important reservoir of gas for galaxy growth and accretion. Here we present very high resolution two-dimensional simulations of the thermal and chemical evolution of such filaments, making use of a 32 species chemistry network that tracks the evolution of key molecules formed from hydrogen, oxygen, and carbon. We study the evolution of filaments over a wide range of parameters including the initial density, initial temperature, strength of the dissociating UV background, and metallicity. In low-redshift, Z ≈ 0.1Z filaments, the evolution is determined completely by the initial cooling time. If this is sufficiently short, the center of the filament always collapses to form dense, cold core containing a substantial fraction of molecules. In high-redshift, Z = 10-3Z filaments, the collapse proceeds much more slowly. This is due mostly to the lower initial temperatures, which leads to a much more modest increase in density before the atomic cooling limit is reached, making subsequent molecular cooling much less efficient. Finally, we study how the gravitational potential from a nearby dwarf galaxy affects the collapse of the filament and compare this to NGC 5253, a nearby starbusting dwarf galaxy thought to be fueled by the accretion of filament gas. In contrast to our fiducial case, a substantial density peak forms at the center of the potential. This peak evolves faster than the rest of the filament due to the increased rate at which chemical species form and cooling occur. We find that we achieve similar accretion rates as NGC 5253 but our two-dimensional simulations do not recover the formation of the giant molecular clouds that are seen in radio observations.

  3. Thermal and Chemical Evolution of Collapsing Filaments

    Energy Technology Data Exchange (ETDEWEB)

    Gray, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Scannapieco, Evan [Arizona State Univ., Mesa, AZ (United States). School of Earth and Space Exploration

    2013-01-15

    Intergalactic filaments form the foundation of the cosmic web that connect galaxies together, and provide an important reservoir of gas for galaxy growth and accretion. Here we present very high resolution two-dimensional simulations of the thermal and chemical evolution of such filaments, making use of a 32 species chemistry network that tracks the evolution of key molecules formed from hydrogen, oxygen, and carbon. We study the evolution of filaments over a wide range of parameters including the initial density, initial temperature, strength of the dissociating UV background, and metallicity. In low-redshift, Z ≈ 0.1Z filaments, the evolution is determined completely by the initial cooling time. If this is sufficiently short, the center of the filament always collapses to form dense, cold core containing a substantial fraction of molecules. In high-redshift, Z = 10-3Z filaments, the collapse proceeds much more slowly. This is due mostly to the lower initial temperatures, which leads to a much more modest increase in density before the atomic cooling limit is reached, making subsequent molecular cooling much less efficient. Finally, we study how the gravitational potential from a nearby dwarf galaxy affects the collapse of the filament and compare this to NGC 5253, a nearby starbusting dwarf galaxy thought to be fueled by the accretion of filament gas. In contrast to our fiducial case, a substantial density peak forms at the center of the potential. This peak evolves faster than the rest of the filament due to the increased rate at which chemical species form and cooling occur. We find that we achieve similar accretion rates as NGC 5253, but our two-dimensional simulations do not recover the formation of the giant molecular clouds that are seen in radio observations.

  4. Chemical evolution of primitive solar system bodies

    Science.gov (United States)

    Oro, J.; Mills, T.

    1989-01-01

    Observations on organic molecules and compounds containing biogenic elements in the interstellar medium and in the primitive bodies of the solar system are reviewed. The discovery of phosphorus molecular species in dense interstellar clouds, the existence of organic ions in the dust and gas phase of the comas of Comet Halley, and the presence of presolar, deuterium-hydrogen ratios in the amino acids of carbonaceous chondrites are discussed. The relationships between comets, dark asteroids, and carbonaceous chondrites are examined. Also, consideration is given to the chemical evolution of Titan, the primitive earth, and early Mars.

  5. Oparin's coacervates as an important milestone in chemical evolution

    Science.gov (United States)

    Kolb, Vera M.

    2015-09-01

    Although Oparin's coacervate model for the origin of life by chemical evolution is almost 100 years old, it is still valid. However, the structure of his originally proposed coacervate is not considered prebiotic, based on some recent developments in prebiotic chemistry. We have remedied this deficiency of the Oparin's model, by substituting his coacervate with a prebiotically feasible one. Oparin's coacervates are aqueous structures, but have a boundary with the rest of the aqueous medium. They exhibit properties of self-replication, and provide a path to a primitive metabolism, via chemical competition and thus a primitive selection. Thus, coacervates are good models for proto-cells. We review here some salient points of Oparin's model and address also some philosophical views on the beginning of natural selection in primitive chemical systems.

  6. Simulating Emission and Chemical Evolution of Coarse Sea-Salt Particles in the Community Multiscale Air Quality (CMAQ) Model

    Science.gov (United States)

    Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-sal...

  7. Evolution of Business Models

    DEFF Research Database (Denmark)

    Antero, Michelle C.; Hedman, Jonas; Henningsson, Stefan

    2013-01-01

    The ERP industry has undergone dramatic changes over the past decades due to changing market demands, thereby creating new challenges and opportunities, which have to be managed by ERP vendors. This paper inquires into the necessary evolution of business models in a technology-intensive industry (e.......g., develop new offerings, engage in partnerships, and the utilize new sales channels). This paper draws from strategy process perspective to develop an evolutionary business model (EBM) framework that explains the components and processes involved. The framework is then applied to a longitudinal case study...... of SAP to explain how its success in a technology-intensive industry hinges on its ability to reconfigure its business model. The paper contributes to the extant literature on business models in two ways: first, by identifying and explaining the need for an evolutionary perspective; and second...

  8. The chemical, mechanical, and hydrological evolution of weathering granitoid

    Science.gov (United States)

    Goodfellow, Bradley W.; Hilley, George E.; Webb, Samuel M.; Sklar, Leonard S.; Moon, Seulgi; Olson, Christopher A.

    2016-08-01

    Surprisingly few studies connect the chemical, mechanical, and hydrological evolution of rock as it weathers to saprolite and soil. We assess this coevolution in granodiorite from Monterey Peninsula, California, by measuring changes in bulk chemistry, mineralogy, volumetric strain, the oxidation state of Fe in biotite crystals, tensile strength, abrasion rate, connected porosity, and hydraulic conductivity in samples covering a range of weathering grades. We identify the oxidative dissolution of biotite as the key chemical reaction because of the volumetric expansion that accompanies formation of altered biotite and precipitation of ferrihydrite. We show how the associated accumulation of elastic strain produces an energy density that is sufficient to support rock fracturing over length scales equivalent to constituent crystals. The resulting intragranular and intergranular cracking profoundly reduces tensile strength and increases the abrasion rate, connected porosity, and hydraulic conductivity of the rock matrix. These changes increase the rate of plagioclase weathering, and ultimately the rock disintegrates into grus and clay. Major changes in rock properties can occur with only minor element leaching, and the threshold behavior of weathering that arises from the coevolution of chemical, hydrological, and mechanical properties may be difficult to capture using simplified weathering models that fail to incorporate these properties. Our results, which combine the mechanical and hydrological evolution of weathering rock with more common measurements of chemical changes, should help to more accurately model the effects of, and mechanical and hydrological feedbacks upon, chemical weathering of rock.

  9. The role of OH in the chemical evolution of protoplanetary disks : II. Gas-rich environments

    NARCIS (Netherlands)

    Chaparro-Molano, German; Kamp, I.

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims. Our goal is to improve on chemical models by treating cosmic rays, the

  10. JINA-NuGrid Galactic Chemical Evolution Pipeline

    CERN Document Server

    Côté, Benoit; Herwig, Falk; O'Shea, Brian W; Pignatari, Marco; Silvia, Devin; Jones, Samuel; Fryer, Chris L

    2016-01-01

    Galactic chemical evolution is a topic that involves nuclear physics, stellar evolution, galaxy evolution, observation, and cosmology. Continuous communication and feedback between these fields is a key component in improving our understanding of how galaxies form and how elements are created and recycled in galaxies and intergalactic space. In this proceedings, we present the current state of the JINA-NuGrid chemical evolution pipeline. It is designed to probe the impact of nuclear astrophysics uncertainties on galactic chemical evolution, to improve our knowledges regarding the origin of the elements in a cosmological context, and to create the required interdisciplinary connections.

  11. Chemical models of interstellar gas-grain processes. II - The effect of grain-catalysed methane on gas phase evolution

    Science.gov (United States)

    Brown, Paul D.; Charnley, S. B.

    1991-01-01

    The effects on gas phase chemistry which result from the continuous desorption of methane molecules from grain surfaces are studied. Significant and sustained enhancements in the abundances of several complex hydrocarbon molecules are found, in good agreement with their observed values in TMC-1. The overall agreement is, however, just as good for the case of zero CH4 desorption efficiency. It is thus impossible to determine from the models whether or not the grain-surface production of methane is responsible for the observed abundances of some hydrocarbon molecules.

  12. From the CMD of Omega Centauri and (super-)AGB stellar models to a Galactic plane passage gas purging chemical evolution scenario

    CERN Document Server

    Herwig, Falk; Navarro, Julio F; Ferguson, Jason; Paxton, Bill

    2012-01-01

    [Abbreviated] We have investigated the color-magnitude diagram of Omega Centauri and find that the blue main sequence (bMS) can be reproduced only by models that have a of helium abundance in the range Y=0.35-$0.40. To explain the faint subgiant branch of the reddest stars ("MS-a/RG-a" sequence), isochrones for the observed metallicity ([Fe/H]\\approx0.7) appear to require both a high age (~13Gyr) and enhanced CNO abundances ([CNO/Fe]\\approx0.9$). Y~0.35 must also be assumed in order to counteract the effects of high CNO on turnoff colors, and thereby to obtain a good fit to the relatively blue turnoff of this stellar population. This suggest a short chemical evolution period of time (=6.8M_sun, M_He,core>=1.245M_sun) predict too large N-enhancements, which limits their role in contributing to the extreme populations. We show quantitatively that highly He- and N-enriched AGB ejecta have particularly efficient cooling properties. Based on these results and on the reconstruction of the orbit of Omega Cen with re...

  13. Planetary nebulae and the chemical evolution of the galactic bulge

    CERN Document Server

    Costa, R D D; Maciel, W J; Costa, Roberto D.D.; Escudero, Andre V.; Maciel, Walter J.

    2005-01-01

    Electron temperatures, densities, ionic and elemental abundances of helium, nitrogen, oxygen, argon, sulfur and neon were derived for a sample of bulge planetary nebulae, representative of its intermediate mass population. Using these results as constraints, a model for the chemical evolution of the galactic bulge was developed. The results indicate that the best fit is achieved using a double-infall model, where the first one is a fast collapse of primordial gas and the second is slower and enriched by material ejected by the bulge itself during the first episode.

  14. Chemical evolution and nature of Damped Lyman-Alpha systems

    CERN Document Server

    Calura, F; Vladilo, G

    2003-01-01

    We study the nature of Damped Lyman -Alpha systems (DLAs) by means of a comparison between observed abundances and models of chemical evolution of galaxies of different morphological type. In particular, we compare for the first time the abundance ratios as functions of metallicity and redshift with dust-corrected data. We have developed detailed models following the evolution of several chemical elements (H, D, He, C, N, O, Ne, Mg, Si, S, Fe, Ni and Zn) for elliptical, spiral and irregular galaxies. Each of the models is calibrated to reproduce the main features of a massive elliptical, the Milky Way and the LMC, respectively. In addition, we run some models also for dwarf irregular starburst galaxies. All the models share the same uptodate nucleosynthesis prescriptions but differ in their star formation histories. The role of SNe of different type (II, Ia) is studied in each galaxy model together with detailed and up to date nucleosynthesis prescriptions. Our main conclusions are: 1) when dust depletion is ...

  15. Prebiotic Chemical Evolution in the Astrophysical Context

    Science.gov (United States)

    Ziurys, L. M.; Adande, G. R.; Edwards, J. L.; Schmidt, D. R.; Halfen, D. T.; Woolf, N. J.

    2015-06-01

    An ever increasing amount of molecular material is being discovered in the interstellar medium, associated with the birth and death of stars and planetary systems. Radio and millimeter-wave astronomical observations, made possible by high-resolution laboratory spectroscopy, uniquely trace the history of gas-phase molecules with biogenic elements. Using a combination of both disciplines, the full extent of the cycling of molecular matter, from circumstellar ejecta of dying stars - objects which expel large amounts of carbon - to nascent solar systems, has been investigated. Such stellar ejecta have been found to exhibit a rich and varied chemical content. Observations demonstrate that this molecular material is passed onto planetary nebulae, the final phase of stellar evolution. Here the star sheds almost its entire original mass, becoming an ultraviolet-emitting white dwarf. Molecules such as H2CO, HCN, HCO+, and CCH are present in significant concentrations across the entire age span of such nebulae. These data suggest that gas-phase polyatomic, carbon-containing molecules survive the planetary nebula phase and subsequently are transported into the interstellar medium, seeding the chemistry of diffuse and then dense clouds. The extent of the chemical complexity in dense clouds is unknown, hindered by the high spectral line density. Organic species such as acetamide and methyl amine are present in such objects, and NH2CHO has a wide Galactic distribution. However, organophosphorus compounds have not yet been detected in dense clouds. Based on carbon and nitrogen isotope ratios, molecular material from the ISM appears to become incorporated into solar system planetesimals. It is therefore likely that interstellar synthesis influences prebiotic chemistry on planet surfaces.

  16. Prebiotic chemical evolution in the astrophysical context.

    Science.gov (United States)

    Ziurys, L M; Adande, G R; Edwards, J L; Schmidt, D R; Halfen, D T; Woolf, N J

    2015-06-01

    An ever increasing amount of molecular material is being discovered in the interstellar medium, associated with the birth and death of stars and planetary systems. Radio and millimeter-wave astronomical observations, made possible by high-resolution laboratory spectroscopy, uniquely trace the history of gas-phase molecules with biogenic elements. Using a combination of both disciplines, the full extent of the cycling of molecular matter, from circumstellar ejecta of dying stars - objects which expel large amounts of carbon - to nascent solar systems, has been investigated. Such stellar ejecta have been found to exhibit a rich and varied chemical content. Observations demonstrate that this molecular material is passed onto planetary nebulae, the final phase of stellar evolution. Here the star sheds almost its entire original mass, becoming an ultraviolet-emitting white dwarf. Molecules such as H2CO, HCN, HCO(+), and CCH are present in significant concentrations across the entire age span of such nebulae. These data suggest that gas-phase polyatomic, carbon-containing molecules survive the planetary nebula phase and subsequently are transported into the interstellar medium, seeding the chemistry of diffuse and then dense clouds. The extent of the chemical complexity in dense clouds is unknown, hindered by the high spectral line density. Organic species such as acetamide and methyl amine are present in such objects, and NH2CHO has a wide Galactic distribution. However, organophosphorus compounds have not yet been detected in dense clouds. Based on carbon and nitrogen isotope ratios, molecular material from the ISM appears to become incorporated into solar system planetesimals. It is therefore likely that interstellar synthesis influences prebiotic chemistry on planet surfaces.

  17. Dark Matter and the Chemical Evolution of Irregular Galaxies

    Directory of Open Access Journals (Sweden)

    L. Carigi

    2001-01-01

    Full Text Available We present three types of chemical evolution models for irregular galaxies: closed-box with continuous star formation rates (SFRs, closed-box with burstin g SFRs, and O-rich outflow with continuous SFRs. We discuss the chemical evolution of the irregular galaxies NGC 1560 and II Zw 33, and a "typical" irregular galaxy. The fraction of low-mass stars needed by our models is larger than that derived for the solar vicinity, but similar to that found in globular clusters. For our typical irregular galaxy we need a mass fraction of about 40% in the form of substellar objects plus non baryonic dark matter inside the Holmberg radius, in good agreement with the results derived for NGC 1560 and II Zw 33 where we do have an independent estimate of the mass fraction in non baryonic dark matter. Closed-box models are better than O-rich outflow models in explaining the C/O and Z/O observed values for our typical irregular galaxy.

  18. Sixth Symposium on Chemical Evolution and the Origin and Evolution of Life

    Science.gov (United States)

    Acevedo, Sara (Editor); DeVincenzi, Donald L. (Editor); Chang, Sherwood (Editor)

    1998-01-01

    The 6th Symposium on Chemical Evolution and the Origin and Evolution of Life was convened at NASA Ames Research Center, November 17-20, 1997. This Symposium is convened every three years under the auspices of NASA's Exobiology Program Office. All Principal Investigators funded by this Program present their most recent research accomplishments at the Symposium. Scientific papers were presented in the following areas: cosmic evolution of the biogenic elements, prebiotic evolution (both planetary and chemical), evolution of early organisms and evolution of organisms in extreme environments, solar system exploration, and star and planet formation. The Symposium was attended by over 200 scientists from NASA centers and Universities nationwide.

  19. The Hydrodynamics and Chemical Evolution of Starburst-driven Outflows

    CERN Document Server

    Tenorio-Tagle, G

    2002-01-01

    The hydrodynamics and intrinsic properties of galactic-scale gaseous outflows generated by violent starbursts are thoroughly discussed, taking into account the hot gas chemical evolution and radiative cooling. It is shown that the metallicity of superbubbles vary with time and can easily exceed the solar value. Galactic superwinds driven by compact and powerful starbursts undergo catastrophic cooling and establish a temperature distribution radically different to that predicted by adiabatic solution. The observational properties of supergalactic winds in X-rays and visible line regimes derived from our calculations are compared with the standard adiabatic model predictions.

  20. TESTING THE ROLE OF SNe Ia FOR GALACTIC CHEMICAL EVOLUTION OF p-NUCLEI WITH TWO-DIMENSIONAL MODELS AND WITH s-PROCESS SEEDS AT DIFFERENT METALLICITIES

    Energy Technology Data Exchange (ETDEWEB)

    Travaglio, C. [INAF, Astrophysical Observatory Turin, Strada Osservatorio 20, I-10025 Pino Torinese (Turin), Italy B2FH Association, Turin (Italy); Gallino, R. [Dipartimento di Fisica, Università di Torino, Via P. Giuria 1, I-10125 Turin (Italy); Rauscher, T. [Centre for Astrophysics Research, School of Physics, Astronomy and Mathematics, University of Hertfordshire, Hatfield AL10 9AB (United Kingdom); Röpke, F. K. [Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Hillebrandt, W., E-mail: travaglio@oato.inaf.it, E-mail: claudia.travaglio@b2fh.org [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, D-85748 Garching bei München (Germany)

    2015-01-20

    The bulk of p isotopes is created in the ''gamma processes'' mainly by sequences of photodisintegrations and beta decays in explosive conditions in Type Ia supernovae (SNIa) or in core collapse supernovae (ccSN). The contribution of different stellar sources to the observed distribution of p-nuclei in the solar system is still under debate. We explore single degenerate Type Ia supernovae in the framework of two-dimensional SNIa delayed-detonation explosion models. Travaglio et al. discussed the sensitivity of p-nuclei production to different SNIa models, i.e., delayed detonations of different strength, deflagrations, and the dependence on selected s-process seed distributions. Here we present a detailed study of p-process nucleosynthesis occurring in SNIa with s-process seeds at different metallicities. Based on the delayed-detonation model DDT-a of TRV11, we analyze the dependence of p-nucleosynthesis on the s-seed distribution obtained from different strengths of the {sup 13}C pocket. We also demonstrate that {sup 208}Pb seed alone changes the p-nuclei production considerably. The heavy-s seeds (140 ≤A < 208) contribute with about 30%-40% to the total light-p nuclei production up to {sup 132}Ba (with the exception of {sup 94}Mo and {sup 130}Ba, to which the heavy-s seeds contribute with about 15% only). Using a Galactic chemical evolution code from Travaglio et al., we study the contribution of SNIa to the solar stable p-nuclei. We find that explosions of Chandrasekhar-mass single degenerate systems produce a large amount of p-nuclei in our Galaxy, both in the range of light (A ≤ 120) and heavy p-nuclei, at almost flat average production factors (within a factor of about three). We discussed in details p-isotopes such as {sup 94}Mo with a behavior diverging from the average, which we attribute to uncertainties in the nuclear data or in SNIa modeling. Li et al. find that about 70% of all SNeIa are normal events. If these are explained in

  1. Dynamical and chemical evolution of the thin disc

    Science.gov (United States)

    Just, A.; Rybizki, J.

    2016-09-01

    Our detailed analytic local disc model (JJ-model) quantifies the interrelation between kinematic properties (e.g. velocity dispersions and asymmetric drift), spatial parameters (scale-lengths and vertical density profiles), and properties of stellar sub-populations (age and abundance distributions). Any consistent radial extension of the disc evolution model should predict specific features in the different distribution functions and in their correlations. Large spectroscopic surveys (SEGUE, RAVE, APOGEE, Gaia-ESO) allow significant constraints on the long-term evolution of the thin disc. We discuss the qualitative difference of correlations (like the α-enhancement as function of metallicity) and distribution functions (e.g. in [Mg/H] or [Fe/H]) for the construction of a disc model. In the framework of the JJ-model we build a local chemical enrichment model and show that significant vertical gradients for main sequence and red clump stars are expected in the thin disc. A Jeans analysis of the asymmetric drift provides a link to the radial structure of the disc. The derived metallicity-dependent radial scale-lengths can be combined in the future with the abundance distributions at different Galactocentric distances to construct full disc models. We expect to be able to constrain possible scenarios of inside-out growth of the thin disc and to characterise those populations, which require significant radial migration.

  2. Dynamical and chemical evolution of the thin disc

    CERN Document Server

    Just, Andreas

    2015-01-01

    Our detailed analytic local disc model (JJ-model) quantifies the interrelation between kinematic properties (e.g. velocity dispersions and asymmetric drift), spatial parameters (scale-lengths and vertical density profiles), and properties of stellar sub-populations (age and abundance distributions). Any consistent radial extension of the disc evolution model should predict specific features in the different distribution functions and in their correlations. Large spectroscopic surveys (SEGUE, RAVE, APOGEE, Gaia-ESO) allow significant constraints on the long-term evolution of the thin disc. We discuss the qualitative difference of correlations (like the alpha-enhancement as function of metallicity) and distribution functions (e.g. in [Mg/H] or [Fe/H]) for the construction of a disc model. In the framework of the JJ-model we build a local chemical enrichment model and show that significant vertical gradients for main sequence and red clump stars are expected in the thin disc. A Jeans analysis of the asymmetric d...

  3. A simple and general method for solving detailed chemical evolution with delayed production of iron and other chemical elements

    CERN Document Server

    Vincenzo, Fiorenzo; Spitoni, Emanuele

    2016-01-01

    In this Letter, we present a new theoretical method for solving the chemical evolution of galaxies, by assuming the instantaneous recycling approximation for chemical elements restored by massive stars and the Delay Time Distribution formalism for the delayed chemical enrichment by Type Ia Supernovae. The galaxy gas mass assembly history, together with the assumed stellar yields and initial mass function, represent the starting point of this method. We derive a very simple and general equation which closely relates the Laplace transforms of the galaxy gas accretion and star formation history, which can be used to simplify the problem of retrieving these quantities in most of current galaxy evolution models. We find that - once the galaxy star formation history has been reconstructed from our assumptions - the differential equation for the evolution of the chemical element $X$ can be suitably solved with classical methods. We apply our model to reproduce the $[\\text{O/Fe}]$ and $[\\text{Si/Fe}]$ vs. $[\\text{Fe/...

  4. TMDs: Evolution, modeling, precision

    CERN Document Server

    D'Alesio, Umberto; Melis, Stefano; Scimemi, Ignazio

    2014-01-01

    The factorization theorem for $q_T$ spectra in Drell-Yan processes, boson production and semi-inclusive deep inelastic scattering allows for the determination of the non-perturbative parts of transverse momentum dependent parton distribution functions. Here we discuss the fit of Drell-Yan and $Z$-production data using the transverse momentum dependent formalism and the resummation of the evolution kernel. We find a good theoretical stability of the results and a final $\\chi^2/{\\rm points}\\lesssim 1$. We show how the fixing of the non-perturbative pieces of the evolution can be used to make predictions at present and future colliders.

  5. TMDs: Evolution, modeling, precision

    Directory of Open Access Journals (Sweden)

    D’Alesio Umberto

    2015-01-01

    Full Text Available The factorization theorem for qT spectra in Drell-Yan processes, boson production and semi-inclusive deep inelastic scattering allows for the determination of the non-perturbative parts of transverse momentum dependent parton distribution functions. Here we discuss the fit of Drell-Yan and Z-production data using the transverse momentum dependent formalism and the resummation of the evolution kernel. We find a good theoretical stability of the results and a final χ2/points ≲ 1. We show how the fixing of the non-perturbative pieces of the evolution can be used to make predictions at present and future colliders.

  6. Chemical kinetics modeling

    Energy Technology Data Exchange (ETDEWEB)

    Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Laboratory, CA (United States)

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  7. Landscape Evolution Modelling-LAPSUS

    Energy Technology Data Exchange (ETDEWEB)

    Baartman, J. E. M.; Temme, A. J. A. M.; Schoorl, J. M.; Claessens, L.; Viveen, W.; Gorp, W. van; Veldkamp, A.

    2009-07-01

    Landscape evolution modelling can make the consequences of landscape evolution hypotheses explicit and theoretically allows for their falsification and improvement. ideally, landscape evolution models (LEMs) combine the results of all relevant landscape forming processes into an ever-adapting digital landscape (e.g. DEM). These processes may act on different spatial and temporal scales. LAPSUS is such a LEM. Processes that have in different studies been included in LAPSUS are water erosion and deposition, landslide activity, creep, solidification, weathering, tectonics and tillage. Process descriptions are as simple and generic as possible, ensuring wide applicability. (Author) 25 refs.

  8. Cycles and the qualitative evolution of chemical systems.

    Directory of Open Access Journals (Sweden)

    Peter Kreyssig

    Full Text Available Cycles are abundant in most kinds of networks, especially in biological ones. Here, we investigate their role in the evolution of a chemical reaction system from one self-sustaining composition of molecular species to another and their influence on the stability of these compositions. While it is accepted that, from a topological standpoint, they enhance network robustness, the consequence of cycles to the dynamics are not well understood. In a former study, we developed a necessary criterion for the existence of a fixed point, which is purely based on topological properties of the network. The structures of interest we identified were a generalization of closed autocatalytic sets, called chemical organizations. Here, we show that the existence of these chemical organizations and therefore steady states is linked to the existence of cycles. Importantly, we provide a criterion for a qualitative transition, namely a transition from one self-sustaining set of molecular species to another via the introduction of a cycle. Because results purely based on topology do not yield sufficient conditions for dynamic properties, e.g. stability, other tools must be employed, such as analysis via ordinary differential equations. Hence, we study a special case, namely a particular type of reflexive autocatalytic network. Applications for this can be found in nature, and we give a detailed account of the mitotic spindle assembly and spindle position checkpoints. From our analysis, we conclude that the positive feedback provided by these networks' cycles ensures the existence of a stable positive fixed point. Additionally, we use a genome-scale network model of the Escherichia coli sugar metabolism to illustrate our findings. In summary, our results suggest that the qualitative evolution of chemical systems requires the addition and elimination of cycles.

  9. Chemical mixtures: considering the evolution of toxicology and chemical assessment.

    Science.gov (United States)

    Monosson, Emily

    2005-04-01

    The assessment of chemical mixtures is a complex topic for toxicologists, regulators, and the public. In this article the linkage between the science of toxicology and the needs of governmental regulatory agencies in the United States is explored through an overview of environmental regulations enacted over the past century and a brief history of modern toxicology. One of the goals of this overview is to encourage both regulators and scientists to consider the benefits and limitations of this science-regulatory relationship as they tackle existing issues such as chemical mixtures. It is clear that a) over the past 100 years chemical regulation and toxicologic research, have in large part, shared a common emphasis on characterization and regulation of individual chemicals. But chemical mixtures have been, and continue to be, evaluated at hazardous waste sites around the United States. For this reason the current U.S. Environmental Protection Agency guidelines for chemical mixtures assessment are also reviewed. These guidelines highlight the current practice of mixtures assessment, which relies primarily on the existing single-chemical database. It is also clear that b) the science and assessment of chemical mixtures are moving forward through the combined efforts of regulatory agencies and scientists from a broad range of disciplines, including toxicology. Because toxicology is at this exciting crossroads, particular attention should be paid to the forces (e.g., public demands, regulatory needs, funding, academic interests) that both promote and limit the growth of this expanding discipline.

  10. Chemical evolution and the preservation of organic compounds on Mars

    Science.gov (United States)

    Kanavarioti, Anastassia; Mancinelli, Rocco L.

    1989-01-01

    Several lines of evidence suggest that the environment on early Mars and early Earth were very similar. Since life is abundant on Earth, it seems likely that conditions on early Earth were conducive to chemical evolution and the origin of life. The similarity between early Mars and early Earth encourages the hypothesis that chemical evolution might have also occurred on Mars, but that decreasing temperatures and the loss of its atmosphere brought the evolution to a halt. The possibility of finding on Mars remnants of organic material dating back to this early clement period is addressed.

  11. Modelling river history and evolution.

    Science.gov (United States)

    Coulthard, T J; Van de Wiel, M J

    2012-05-13

    Over the last few decades, a suite of numerical models has been developed for studying river history and evolution that is almost as diverse as the subject of river history itself. A distinction can be made between landscape evolution models (LEMs), alluvial architecture models, meander models, cellular models and computational fluid dynamics models. Although these models share some similarities, there also are notable differences between them, which make them more or less suitable for simulating particular aspects of river history and evolution. LEMs embrace entire drainage basins at the price of detail; alluvial architecture models simulate sedimentary facies but oversimplify flow characteristics; and computational fluid dynamics models have to assume a fixed channel form. While all these models have helped us to predict erosion and depositional processes as well as fluvial landscape evolution, some areas of prediction are likely to remain limited and short-term owing to the often nonlinear response of fluvial systems. Nevertheless, progress in model algorithms, computing and field data capture will lead to greater integration between these approaches and thus the ability to interpret river history more comprehensively.

  12. NuPyCEE: NuGrid Python Chemical Evolution Environment

    Science.gov (United States)

    Ritter, Christian; Côté, Benoit

    2016-10-01

    The NuGrid Python Chemical Evolution Environment (NuPyCEE) simulates the chemical enrichment and stellar feedback of stellar populations. It contains three modules. The Stellar Yields for Galactic Modeling Applications module (SYGMA) models the enrichment and feedback of simple stellar populations which can be included in hydrodynamic simulations and semi-analytic models of galaxies. It is the basic building block of the One-zone Model for the Evolution of GAlaxies (OMEGA) module which allows the modelling of the chemical evolution of galaxies such as the Milky Way and its dwarf satellites. The STELLAB (STELLar ABundances) module provides a library of observed stellar abundances useful for comparing predictions of SYGMA and OMEGA.

  13. Explaining the evolution of warning coloration: secreted secondary defence chemicals may facilitate the evolution of visual aposematic signals.

    Directory of Open Access Journals (Sweden)

    Jostein Gohli

    Full Text Available Several pathways have been postulated to explain the evolution of warning coloration, which is a perplexing phenomenon. Many of these attempt to circumvent the problem of naïve predators by inferring kin selection or neophobia. Through a stochastic model, we show that a secreted secondary defence chemical can provide selective pressure, on the individual level, towards developing warning coloration. Our fundamental assumption is that increased conspicuousness will result in longer assessment periods and divergence from the predators' searching image, thus reducing the probability of a predator making mistakes. We conclude that strong olfactory signaling by means of chemical secretions can lead to the evolution of warning coloration.

  14. New chemical evolution analytical solutions including environment effects

    CERN Document Server

    Spitoni, E

    2015-01-01

    In the last years, more and more interest has been devoted to analytical solutions, including inflow and outflow, to study the metallicity enrichment in galaxies. In this framework, we assume a star formation rate which follows a linear Schmidt law, and we present new analytical solutions for the evolution of the metallicity (Z) in galaxies. In particular, we take into account environmental effects including primordial and enriched gas infall, outflow, different star formation efficiencies, and galactic fountains. The enriched infall is included to take into account galaxy-galaxy interactions. Our main results can be summarized as: i) when a linear Schmidt law of star formation is assumed, the resulting time evolution of the metallicity Z is the same either for a closed-box model or for an outflow model. ii) The mass-metallicity relation for galaxies which suffer a chemically enriched infall, originating from another evolved galaxy with no pre-enriched gas, is shifted down in parallel at lower Z values, if co...

  15. ABC model and floral evolution

    Institute of Scientific and Technical Information of China (English)

    LI Guisheng; MENG Zheng; KONG Hongzhi; CHEN Zhiduan; LU Anming

    2003-01-01

    The paper introduces the classical ABC model of floral development and thereafter ABCD, ABCDE and quartet models, and presents achievements in the studies on floral evolution such as the improved understanding on the relationship of reproductive organs between gnetophytes and angiosperms, new results in perianth evolution and identified homology of floral organs between dicots and monocots. The evo-devo studies on plant taxa at different evolutionary levels are useful to better understanding the homology of floral organs, and to clarifying the mysteries of the origin and subsequent diversification of flowers.

  16. Reduction of chemical reaction models

    Science.gov (United States)

    Frenklach, Michael

    1991-01-01

    An attempt is made to reconcile the different terminologies pertaining to reduction of chemical reaction models. The approaches considered include global modeling, response modeling, detailed reduction, chemical lumping, and statistical lumping. The advantages and drawbacks of each of these methods are pointed out.

  17. Stellar Abundance and Galactic Chemical Evolution through LAMOST Spectroscopic Survey

    Institute of Scientific and Technical Information of China (English)

    Gang Zhao; Yu-Qin Chen; Jian-RongShi; Yan-Chun Liang; Jin-Liang Hou; Li Chen; Hua-Wei Zhang; Ai-Gen Li

    2006-01-01

    A project of a spectroscopic survey of Galactic structure and evolution with a Large sky Area Multi-Object fiber Spectroscopic Telescope (LAMOST) is presented. The spectroscopic survey consists of two observational modes for various targets in our Galaxy. One is a major survey of the Milky Way aimed at a systematic study of the stellar abundance and Galactic chemical evolution through low resolution (R=1000 - 2000) spectroscopy.Another is a follow-up observation with medium resolution (R=10000) spectrographs aimed at detailed studies of the selected stars with different chemical composition, kinematicsand dynamics.

  18. Xenia: A Probe of Cosmic Chemical Evolution

    Science.gov (United States)

    Kouveliotou, Chryssa; Piro, L.

    2008-01-01

    Xenia is a concept study for a medium-size astrophysical cosmology mission addressing the Cosmic Origins key objective of NASA's Science Plan. The fundamental goal of this objective is to understand the formation and evolution of structures on various scales from the early Universe to the present time (stars, galaxies and the cosmic web). Xenia will use X-and y-ray monitoring and wide field X-ray imaging and high-resolution spectroscopy to collect essential information from three major tracers of these cosmic structures: the Warm Hot Intergalactic Medium (WHIM), Galaxy Clusters and Gamma Ray Bursts (GRBs). Our goal is to trace the chemo-dynamical history of the ubiquitous warm hot diffuse baryon component in the Universe residing in cosmic filaments and clusters of galaxies up to its formation epoch (at z =0-2) and to map star formation and galaxy metal enrichment into the re-ionization era beyond z 6. The concept of Xenia (Greek for "hospitality") evolved in parallel with the Explorer of Diffuse Emission and GRB Explosions (EDGE), a mission proposed by a multinational collaboration to the ESA Cosmic Vision 2015. Xenia incorporates the European and Japanese collaborators into a U.S. led mission that builds on the scientific objectives and technological readiness of EDGE.

  19. ATLASGAL: Chemical evolution of star forming clumps

    Science.gov (United States)

    Figura, Charles C.; Urquhart, James S.; Wyrowski, Friedrich

    2017-01-01

    Although massive stars are few in number, they impact their host molecular clouds, clusters, and galaxies in profound ways, playing a vital role in regulating star formation in their host galaxy. Understanding the formation of these massive stars is critical to understanding this evolution, but their rapid early development causes them to reach the main sequence while still shrouded in their natal molecular cloud. Many studies have investigated these regions in a targeted manner, but a full understanding necessitates a broader view at all stages of formation across many star forming regions.We have used mid-infrared continuum surveys to guide selection of a statistically large sample of massive dust clumps from the 10,000 such clumps identified in the ATLASGAL Compact Source Catalogue (CSC), ensuring that all stages of the evolutionary process are included. A final sample of 600 fourth-quadrant sources within 1 degree of the Galactic plane were observed with the Mopra telescope with an 8 GHz bandwidth between 85.2 and 93.4 GHz.We present an overview of our results. We have identified over 30 molecular lines, seven of which with detected hyperfine structure, as well as several mm-radio recombination line transitions. Source velocities indicate that these regions trace the Crux-Scutum, Norma, and Carina Sagitarius arms. We have performed an analysis of linewidth and line intensity ratios, correlating these with star formation stages as identified by IR brightness at the 70 and 24 μm bands, and present several molecular pairs whose linewidth and intensity might serve as significant tracers of the evolutionary stage of star formation. We comment on the results of PCA analysis of the measured parameters for the overall population and the star formation stage subgroups with an eye toward characterising early stellar development through molecular line observations.

  20. The isotopic and chemical evolution of planets: Mars as a missing link

    Science.gov (United States)

    Depaolo, D. J.

    1988-01-01

    The study of planetary bodies has advanced to a stage where it is possible to contemplate general models for the chemical and physical evolution of planetary interiors, which might be referred to as UMPES (Unified Models of Planetary Evolution and Structure). UMPES would be able to predict the internal evolution and structure of a planet given certain input parameters such as mass, distance from the sun, and a time scale for accretion. Such models are highly dependent on natural observations because the basic material properties of planetary interiors, and the processes that take place during the evolution of planets are imperfectly understood. The idea of UMPES was particularly unrealistic when the only information available was from the earth. However, advances have been made in the understanding of the general aspects of planetary evolution now that there is geochemical and petrological data available for the moon and for meteorites.

  1. Chemical evolution of giant molecular clouds in simulations of galaxies

    Science.gov (United States)

    Richings, Alexander J.; Schaye, Joop

    2016-08-01

    We present an analysis of giant molecular clouds (GMCs) within hydrodynamic simulations of isolated, low-mass (M* ˜ 109 M⊙) disc galaxies. We study the evolution of molecular abundances and the implications for CO emission and the XCO conversion factor in individual clouds. We define clouds either as regions above a density threshold n_{H, min} = 10 {cm}^{-3}, or using an observationally motivated CO intensity threshold of 0.25 {K} {km} {s}^{-1}. Our simulations include a non-equilibrium chemical model with 157 species, including 20 molecules. We also investigate the effects of resolution and pressure floors (i.e. Jeans limiters). We find cloud lifetimes up to ≈ 40 Myr, with a median of 13 Myr, in agreement with observations. At one-tenth solar metallicity, young clouds ( ≲ 10-15 Myr) are underabundant in H2 and CO compared to chemical equilibrium, by factors of ≈3 and one to two orders of magnitude, respectively. At solar metallicity, GMCs reach chemical equilibrium faster (within ≈ 1 Myr). We also compute CO emission from individual clouds. The mean CO intensity, ICO, is strongly suppressed at low dust extinction, Av, and possibly saturates towards high Av, in agreement with observations. The ICO-Av relation shifts towards higher Av for higher metallicities and, to a lesser extent, for stronger UV radiation. At one-tenth solar metallicity, CO emission is weaker in young clouds ( ≲ 10-15 Myr), consistent with the underabundance of CO. Consequently, XCO decreases by an order of magnitude from 0 to 15 Myr, albeit with a large scatter.

  2. Losing track of the time: the chemical clock of prestellar core evolution in hydrodynamic simulation

    Science.gov (United States)

    Szucs, L.; Glover, S.; Caselli, P.

    2016-05-01

    The ortho:para ratio of H2D+ is a proposed observational indicator of prestellar core ages, and thus a possible tool to determine the typical star formation time scale. The conversion of the measured ratio to an age estimate requires modelling of the chemical evolution. Such models usually consider static, one zone models of physical conditions. The relevant chemical time scales, however, are comparable to the dynamic time scale, therefore the history of gas might affect the ratio. To investigate the significance of gas dynamics and history on the spin-state ratio, we analyse prestellar cores formed in various environment in a hydrodynamic simulation. The fully time dependent, spatially resolved chemical evolution of the cores are computed using a state-of-art ortho:para and deuteration chemical network. The true ages are compared to the once indicated by the ortho:para ratio.

  3. Stellar Populations and Chemical Evolution of Late--Type Dwarf Galaxies

    CERN Document Server

    Tosi, M P

    2001-01-01

    Some aspects of the chemical evolution of late-type dwarf galaxies are reviewed, together with their implications on three issues of cosmological relevance: similarity to primeval galaxies, derivation of the primordial helium abundance, contribution to the excess of faint blue galaxies. A more detailed approach to model their evolution is suggested. The importance of deriving the star formation history in these systems by studying their resolved stellar populations is emphasized.

  4. Chemical and genomic evolution of enzyme-catalyzed reaction networks.

    Science.gov (United States)

    Kanehisa, Minoru

    2013-09-02

    There is a tendency that a unit of enzyme genes in an operon-like structure in the prokaryotic genome encodes enzymes that catalyze a series of consecutive reactions in a metabolic pathway. Our recent analysis shows that this and other genomic units correspond to chemical units reflecting chemical logic of organic reactions. From all known metabolic pathways in the KEGG database we identified chemical units, called reaction modules, as the conserved sequences of chemical structure transformation patterns of small molecules. The extracted patterns suggest co-evolution of genomic units and chemical units. While the core of the metabolic network may have evolved with mechanisms involving individual enzymes and reactions, its extension may have been driven by modular units of enzymes and reactions.

  5. The Chemical Evolution of Galaxies: The Stellar Mass-Metallicity Relation

    CERN Document Server

    Hartwick, F D A

    2016-01-01

    The predictions of the multiple burst accretion model of chemical evolution are compared to the observations of the stellar masses and metallicities of star-forming galaxies. With the addition of one parameter, the model can account for the observations of the star-forming galaxies if the observations of the galaxies are identified with the star bursting behaviour of the model. This consistency with the model holds only if galaxy downsizing is assumed to occur.

  6. New model systems for experimental evolution.

    Science.gov (United States)

    Collins, Sinéad

    2013-07-01

    Microbial experimental evolution uses a few well-characterized model systems to answer fundamental questions about how evolution works. This special section highlights novel model systems for experimental evolution, with a focus on marine model systems that can be used to understand evolutionary responses to global change in the oceans.

  7. Modelling the evolution of human trail systems

    Science.gov (United States)

    Helbing, Dirk; Keltsch, Joachim; Molnár, Péter

    1997-07-01

    Many human social phenomena, such as cooperation, the growth of settlements, traffic dynamics and pedestrian movement, appear to be accessible to mathematical descriptions that invoke self-organization. Here we develop a model of pedestrian motion to explore the evolution of trails in urban green spaces such as parks. Our aim is to address such questions as what the topological structures of these trail systems are, and whether optimal path systems can be predicted for urban planning. We use an `active walker' model that takes into account pedestrian motion and orientation and the concomitant feedbacks with the surrounding environment. Such models have previously been applied to the study of complex structure formation in physical, chemical and biological systems. We find that our model is able to reproduce many of the observed large-scale spatial features of trail systems.

  8. A geochemical modelling study of the evolution of the chemical composition of seawater linked to a global glaciation: implications for life sustainability

    Directory of Open Access Journals (Sweden)

    G. Le Hir

    2007-06-01

    Full Text Available The Snowball Earth theory initially proposed by Kirschvink (Kirschvink, 1992 to explain the Neoproterozoic glacial episodes, suggested that the Earth was fully ice-covered at 720 My (Sturtian episode and 640 My (Marinoan episode. This succession of extreme climatic crises induced a stress which is considered as a strong selective pressure on the evolution of life (Hoffman et al., 1998. However recent biological records (Corsetti, 2006 do not support this theory as little change is observed in the diversity of microfossils outcrops before and after the Marinoan glacial interval. In this contribution we address this apparent paradox. Using a numerical model of carbon-alkalinity global cycles, we quantify several environmental stresses caused by a global glaciation. We suggest that during global glaciations, the ocean becomes acidic (pH~6, and unsaturated with respect to carbonate minerals. Moreover the quick transition from ice-house to greenhouse conditions implies an abrupt and large shift of the oceanic surface temperature which causes an extended hypoxia. The intense continental weathering, in the aftermath of the glaciation, deeply affects the seawater composition inducing rapid changes in terms of pH and alkalinity. We also propose a new timing for post glacial perturbations and for the cap carbonates deposition, ~2 Myr instead of 200 kyr as suggested in a previous modelling study. In terms of Precambrian life sustainability, seawater pH modifications appear drastic all along the glaciation, but we show that the buffering action of the oceanic crust dissolution processes avoids a total collapse of biological productivity. In opposite short-lived and large post-glacial perturbations are more critical and may have played a role of environmental filter suggested in the classic snowball Earth theory. Only a permissive life (prokaryotes or simple eukaryotes may explain the relative continuity in microfossils diversity observed before, during and

  9. The New Model of Chemical Evolution of r-process Elements Based on The Hierarchical Galaxy Formation I: Ba and Eu

    CERN Document Server

    Komiya, Yutaka; Suda, Takuma; Fujimoto, Masayuki Y

    2014-01-01

    We investigate the chemical enrichment of r-process elements in the early evolutionary stages of the Milky Way halo within the framework of hierarchical galaxy formation using a semi-analytic merger tree. In this paper, we focus on heavy r-process elements, Ba and Eu, of extremely metal-poor (EMP) stars and give constraints on their astronomical sites. Our models take into account changes of the surface abundances of EMP stars by the accretion of interstellar matter (ISM). We also consider metal-enrichment of intergalactic medium (IGM) by galactic winds and the resultant pre-enrichment of proto-galaxies. The trend and scatter of the observed r-process abundances are well reproduced by our hierarchical model with $\\sim 10\\%$ of core-collapse supernovae in low-mass end ($\\sim 10M_{\\odot}$) as a dominant r-process source and the star formation efficiency of $\\sim 10^{-10} \\hbox{yr}^{-1}$. For neutron star mergers as an r-process source, their coalescence timescale has to be $ \\sim 10^7$yrs, and the event rates $...

  10. SURFACE AND LIGHTNING SOURCES OF NITROGEN OXIDES OVER THE UNITED STATES: MAGNITUDES, CHEMICAL EVOLUTION, AND OUTFLOW

    Science.gov (United States)

    We use observations from two aircraft during the ICARTT campaign over the eastern United States and North Atlantic during summer 2004, interpreted with a global 3-D model of tropospheric chemistry (GEOS-Chem) to test current understanding of regional sources, chemical evolution...

  11. CHEMICAL EVOLUTION AND THE GALACTIC HABITABLE ZONE OF M31

    Directory of Open Access Journals (Sweden)

    Leticia Carigi

    2013-01-01

    Full Text Available We have computed the Galactic Habitable Zones (GHZs of the Andromeda galaxy (M31 based on the probability of terrestrial planet formation, which depends on the metallicity (Z of the interstellar medium, and the number of stars formed per unit surface area. The GHZ was obtained from a chemical evolution model built to reproduce a metallicity gradient in the galactic disk, [O/H](r=−0.015 dex kpc−1 × r(kpc + 0.44 dex. If we assume that Earth-like planets form with a probability law that follows the Z distribution shown by stars with detected planets, the most probable GHZ per pc2 is located between 3 and 7 kpc for planets with ages between 6 and 7 Gyr. However, the highest number of stars with habitable planets is located in a ring between 12 and 14 kpc with a mean age of 7 Gyr. 11% and 6.5% of the all formed stars in M31 may have planets capable of hosting basic and complex life, respectively.

  12. Modeling of turbulent chemical reaction

    Science.gov (United States)

    Chen, J.-Y.

    1995-01-01

    Viewgraphs are presented on modeling turbulent reacting flows, regimes of turbulent combustion, regimes of premixed and regimes of non-premixed turbulent combustion, chemical closure models, flamelet model, conditional moment closure (CMC), NO(x) emissions from turbulent H2 jet flames, probability density function (PDF), departures from chemical equilibrium, mixing models for PDF methods, comparison of predicted and measured H2O mass fractions in turbulent nonpremixed jet flames, experimental evidence of preferential diffusion in turbulent jet flames, and computation of turbulent reacting flows.

  13. The fast debris evolution model

    Science.gov (United States)

    Lewis, H. G.; Swinerd, G. G.; Newland, R. J.; Saunders, A.

    2009-09-01

    The 'particles-in-a-box' (PIB) model introduced by Talent [Talent, D.L. Analytic model for orbital debris environmental management. J. Spacecraft Rocket, 29 (4), 508-513, 1992.] removed the need for computer-intensive Monte Carlo simulation to predict the gross characteristics of an evolving debris environment. The PIB model was described using a differential equation that allows the stability of the low Earth orbit (LEO) environment to be tested by a straightforward analysis of the equation's coefficients. As part of an ongoing research effort to investigate more efficient approaches to evolutionary modelling and to develop a suite of educational tools, a new PIB model has been developed. The model, entitled Fast Debris Evolution (FADE), employs a first-order differential equation to describe the rate at which new objects ⩾10 cm are added and removed from the environment. Whilst Talent [Talent, D.L. Analytic model for orbital debris environmental management. J. Spacecraft Rocket, 29 (4), 508-513, 1992.] based the collision theory for the PIB approach on collisions between gas particles and adopted specific values for the parameters of the model from a number of references, the form and coefficients of the FADE model equations can be inferred from the outputs of future projections produced by high-fidelity models, such as the DAMAGE model. The FADE model has been implemented as a client-side, web-based service using JavaScript embedded within a HTML document. Due to the simple nature of the algorithm, FADE can deliver the results of future projections immediately in a graphical format, with complete user-control over key simulation parameters. Historical and future projections for the ⩾10 cm LEO debris environment under a variety of different scenarios are possible, including business as usual, no future launches, post-mission disposal and remediation. A selection of results is presented with comparisons with predictions made using the DAMAGE environment model

  14. THE EVOLUTION OF SOME CHEMICAL PARAMETERS DURING CUCUMBERS PICKLING

    OpenAIRE

    2013-01-01

    The evolution of some chemical indices (salt content, pH and ascorbic acid content) during cucumbers pickling was the purpose of this paper. The experience materials used in this work were: cucumbers cornichon, iodized and non-iodized salt and tap water. The samples containing cucumbers in iodized and in non-iodized brine were left to ferment, and at 3-4 days were made determinations of above mentioned indices. During pickling process, non-iodized salt has accumulated in cucumber ...

  15. Chemical Evolution of the Galactic Disk and Bulge

    OpenAIRE

    Wyse, Rosemary F. G.

    1994-01-01

    Invited Review at IAU Symp 164 on Stellar Populations. The Milky Way Galaxy offers a unique opportunity for testing theories of galaxy formation and evolution. The study of the spatial distribution, kinematics and chemical abundances of stars in the Milky Way Galaxy allows one to address specific questions pertinent to this meeting such as When was the Galaxy assembled? Is this an ongoing process? What was the merging history of the Milky Way?

  16. Chemical evolution and origin of the Luumäki gem beryl pegmatite: Constraints from mineral trace element chemistry and fractionation modeling

    Science.gov (United States)

    Michallik, Radoslaw M.; Wagner, Thomas; Fusswinkel, Tobias; Heinonen, Jussi S.; Heikkilä, Pasi

    2017-03-01

    The 1928 Ma old Luumäki gem beryl pegmatite is hosted by rapakivi granites of the Wiborg batholith in southeast Finland. The moderately evolved niobium-yttrium-fluorine (NYF) pegmatite system belongs to the topaz-beryl type of the rare-element pegmatite class. It has a simple major mineral assemblage of K-feldspar + plagioclase + quartz + biotite ± fluorite throughout the main pegmatite zones (border, wall, intermediate, and core zone). It consists of at least two chemically related bodies (Luumäki N and Luumäki S), of which only Luumäki N contains gem beryl (heliodor) bearing miarolitic pockets. We characterize the geology, mineral assemblages, and the major and trace element chemistry of K-feldspar, plagioclase, biotite and quartz from the pegmatite. The mineral chemistry data show a progressive enrichment of Rb, Cs and Tl in K-feldspars, and depletion in Sr and Ba. The K-feldspar from the beryl-bearing pockets records the highest enrichment in incompatible elements, distinct from the data trend shown by K-feldspar from the main pegmatite zones. The REE data for plagioclase show a decrease of the positive Eu-anomaly and then a change to negative Eu-anomaly in the more evolved inner zones. This demonstrates an increase of the oxidation state of the pegmatite melt over time, consistent with the abundance of hematite in late-stage mineral assemblages including those of the miarolitic pockets. Fractional crystallization modeling is able to replicate the progressive enrichment of incompatible elements in K-feldspar, and to predict degrees of crystallization, which are in good agreement with volume estimates for the different pegmatite zones. The modeling results demonstrate that formation of the zoned pegmatite up to the quartz core can be well explained by an igneous crystallization process, leading up to considerable enrichment in incompatible elements. The melt reached saturation with an aqueous hydrothermal fluid only after more than 90% of the pegmatite melt

  17. The Chemical Evolution of the Solar Neighbourhood the Effect of Binaries

    CERN Document Server

    De Donder, E

    2002-01-01

    In this paper we compute the time evolution of the elements (4He, 12C, 14N, 16O, 20Ne, 24Mg, 28Si, 32S, 40Ca and 56Fe) and of the supernova rates in the solar neighbourhood by means of a galactic chemical evolutionary code that includes in detail the evolution of both single and binary stars. Special attention is payed to the formation of black holes. Our main conclusions: in order to predict the galactic time evolution of the different types of supernovae, it is essential to compute in detail the evolution of the binary population, the observed time evolution of carbon is better reproduced by a galactic model where the effect is included of a significant fraction of intermediate mass binaries, massive binary mass exchange provides a possible solution for the production of primary nitrogen during the very early phases of galactic evolution, chemical evolutionary models with binaries or without binaries but with a detailed treatment of the SN Ia progenitors predict very similar age-metallicity relations and ve...

  18. Inhomogeneous Chemical Evolution of the Galaxy in the Solar Neighbourhood

    Indian Academy of Sciences (India)

    S. Sahijpal

    2013-12-01

    -body numerical simulations of an inhomogeneous Galactic Chemical Evolution (GCE) of the solar neighbourhood with a high temporal resolution are presented. The solar annular ring is divided into distinct spatial grids of area ∼ 1–2 kpc2. Each grid evolves distinctly in terms of star formation and nucleosynthetic yields from numerous generations of stars. The evolution of the galaxy is simulated by considering discrete episodes of star formation. Subsequent to the evolution of the simulated stars within each grid the stellar nucleosynthetic yields are homogenized within the grid rather than the traditionally adopted criteria of homogenizing over the entire solar annular ring. This provides a natural mechanism of generating heterogeneities in the elemental abundance distribution of stars. A complex chemical evolutionary history is inferred that registers episodes of time-dependent contributions from SN II+Ib/c with respect to SN Ia. It was observed that heterogeneities can remerge even after episodes of large scale homogenizations on scales larger than the grid size. However, a comparison of the deduced heterogeneities with the observed scatter in the elemental abundances of the dwarf stars suggest only a partial match, specifically, for [Fe/H] > -0.5. The deduced heterogeneities in the case of carbon, oxygen, magnesium, silicon, sulphur, calcium and titanium can explain the observed heterogeneities for [Fe/H] < -0.5. It may not be possible to explain the entire observed spread exclusively on the basis of the inhomogeneous GCE.

  19. A paradigm-based evolution of chemical engineering

    Institute of Scientific and Technical Information of China (English)

    Alexandru Woinaroschy

    2016-01-01

    A short presentation of chemical engineering evolution, as guided by its paradigms, is exposed. The first paradigm–unit operations–has emerged as a necessity of systematization due to the explosion of chemical industrial applica-tions at the end of 19th century. The birth in the late 1950s of the second paradigm–transport phenomena–was the consequence of the need for a deep, scientific knowledge of the phenomena that explain what happens inside of unit operations. In the second part of 20th century, the importance of chemical product properties and qualities has become essential y in the market fights. Accordingly, it was required with additional and even new fundamen-tal approaches, and product engineering was recognized as the third paradigm. Nowadays chemical industry, as a huge materials and energy consumer, and with a strong ecological impact, couldn't remain outside of sustainability requirements. The basics of the fourth paradigm–sustainable chemical engineering–are now formulated.

  20. The nature of chemical innovation: new enzymes by evolution.

    Science.gov (United States)

    Arnold, Frances H

    2015-11-01

    I describe how we direct the evolution of non-natural enzyme activities, using chemical intuition and information on structure and mechanism to guide us to the most promising reaction/enzyme systems. With synthetic reagents to generate new reactive intermediates and just a few amino acid substitutions to tune the active site, a cytochrome P450 can catalyze a variety of carbene and nitrene transfer reactions. The cyclopropanation, N-H insertion, C-H amination, sulfimidation, and aziridination reactions now demonstrated are all well known in chemical catalysis but have no counterparts in nature. The new enzymes are fully genetically encoded, assemble and function inside of cells, and can be optimized for different substrates, activities, and selectivities. We are learning how to use nature's innovation mechanisms to marry some of the synthetic chemists' favorite transformations with the exquisite selectivity and tunability of enzymes.

  1. Tabletop imaging of structural evolutions in chemical reactions

    CERN Document Server

    Ibrahim, Heide; Beaulieu, Samuel; Schmidt, Bruno E; Thiré, Nicolas; Bisson, Éric; Hebeisen, Christoph T; Wanie, Vincent; Giguére, Mathieu; Kieffer, Jean-Claude; Sanderson, Joseph; Schuurman, Michael S; Légaré, François

    2014-01-01

    The introduction of femto-chemistry has made it a primary goal to follow the nuclear and electronic evolution of a molecule in time and space as it undergoes a chemical reaction. Using Coulomb Explosion Imaging we have shot the first high-resolution molecular movie of a to and fro isomerization process in the acetylene cation. So far, this kind of phenomenon could only be observed using VUV light from a Free Electron Laser [Phys. Rev. Lett. 105, 263002 (2010)]. Here we show that 266 nm ultrashort laser pulses are capable of initiating rich dynamics through multiphoton ionization. With our generally applicable tabletop approach that can be used for other small organic molecules, we have investigated two basic chemical reactions simultaneously: proton migration and C=C bond-breaking, triggered by multiphoton ionization. The experimental results are in excellent agreement with the timescales and relaxation pathways predicted by new and definitively quantitative ab initio trajectory simulations.

  2. Simple model for river network evolution

    Energy Technology Data Exchange (ETDEWEB)

    Leheny, R.L. [The James Franck Institute and The Department of Physics, The University of Chicago, 5640 South Ellis Avenue, Chicago, Illinois 60637 (United States)

    1995-11-01

    We simulate the evolution of a drainage basin by erosion from precipitation and avalanching on hillslopes. The avalanches create a competition in growth between neighboring basins and play the central role in driving the evolution. The simulated landscapes form drainage systems that share many qualitative features with Glock`s model for natural network evolution and maintain statistical properties that characterize real river networks. We also present results from a second model with a modified, mass conserving avalanche scheme. Although the terrains from these two models are qualitatively dissimilar, their drainage networks share the same general evolution and statistical features.

  3. Model for the evolution of river networks

    Energy Technology Data Exchange (ETDEWEB)

    Leheny, R.L.; Nagel, S.R. (The James Franck Institute and the Department of Physics, The University of Chicago, 5640 South Ellis Avenue, Chicago, Illinois 60637 (United States))

    1993-08-30

    We have developed a model, which includes the effects of erosion both from precipitation and from avalanching of soil on steep slopes, to simulate the formation and evolution of river networks. The avalanches provide a mechanism for competition in growth between neighboring river basins. The changing morphology follows many of the characteristics of evolution set forth by Glock. We find that during evolution the model maintains the statistical characteristics measured in natural river systems.

  4. The chemical evolution of self-gravitating primordial disks

    CERN Document Server

    Schleicher, Dominik R G; Latif, Muhammad A; Ferrara, Andrea; Grassi, Tommaso

    2016-01-01

    Numerical simulations show the formation of self-gravitating primordial disks during the assembly of the first structures in the Universe, in particular during the formation of Pop. III and supermassive stars. Their subsequent evolution is expected to be crucial to determine the mass scale of the first cosmological objects, which depends on the temperature of the gas and the dominant cooling mechanism. Here, we derive a one-zone framework to explore the chemical evolution of such disks and show that viscous heating leads to the collisional dissociation of an initially molecular gas. The effect is relevant on scales of 10 AU (1000 AU) for a central mass of 10 M_solar (10^4 M_solar) at an accretion rate of 0.1 M_solar/yr, and provides a substantial heat input to stabilize the disk. If the gas is initially atomic, it remains atomic during the further evolution, and the effect of viscous heating is less significant. The additional thermal support is particularly relevant for the formation of very massive objects,...

  5. The chemical evolution of galaxies in the local volume

    Science.gov (United States)

    Croxall, Kevin V.

    2010-12-01

    The composition of the universe has greatly changed since the first matter condensed from the primordial soup of the Big Bang. As galaxies have grown and evolved over the past Hubble time, massive luminous galaxies have built up more heavy elements than their low mass counterparts. While sundry physical mechanisms have been proposed to account for this observed trend, the physical connection between galaxy mass and metallicity has evaded the understanding of astronomers for several decades. In order to gain a greater understanding of this metallicity-luminosity relation and the physical drivers behind the chemical evolution of galaxies, we have performed a detailed study of galaxies in both isolated and non-isolated environments: namely, galaxies in the local volume (D ≤ 5 Mpc) and galaxy members belonging to the M81 group. Our results from studying the M81 group imply that recent interactions among the central galaxies in this group, rather than mechanisms intrinsic to the galaxies, are likely responsible for the anomalously high abundances in three cluster members. While tidal interactions can alter the chemical make up the galaxies involved, the well established metallicity-luminosity relation indicates a more universal chemical evolution. To further explore this idea, we analyze galaxy abundances, stellar & gas distributions, and kinematics from both new and archival observations of forty-five low mass galaxies within 5 Mpc of the Milky Way. Our results indicate that these galaxies occupy a different mass-to-light ratio parameter space than their larger counter parts. Our study of the local volume explores the effects of various galaxy attributes such as mass, star formation rate, gas mass fraction, and the mass distribution that offer more concrete connections with the evolution of the system. We show that none of the attributes measured in this study exhibit more correlation with metallicity (measured via nebular oxygen abundances) than does the luminosity

  6. An Evolution Model of Space Debris Environment

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Various types of models including engineering models andevolution models have been developed to understand space debris environment since 1960s. Evolution model, consisting of a set of supporting models such as Launch Model, Breakup Model and Atmosphere Model, can reliably predicts the evolution of space debris environment. Of these supporting models, Breakup Model is employed to describe the distribution of debris and debris cloud during a explosion or collision case which is one of the main factors affecting the amount of total space debris. An analytical orbit debris environment model referred to as the “Particles-In-Boxes" model has been introduced. By regarding the orbit debris as the freedom particles running in the huge volume, the sources and sinks mechanism is established. Then the PIB model is expanded to the case of multiple-species in multiple-tier system. Combined with breakup model, the evolution of orbit debris environment is predicted.

  7. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  8. Testing the role of SNe Ia for Galactic chemical evolution of p-nuclei with 2D models and with s-process seeds at different metallicities

    CERN Document Server

    Travaglio, C; Rauscher, T; Ropeke, F K; Hillebrandt, W

    2014-01-01

    The bulk of p isotopes is created in the 'gamma processes' mainly by sequences of photodisintegrations and beta decays in explosive conditions in Type Ia supernovae (SNIa) or in core collapse supernovae (ccSN). The contribution of different stellar sources to the observed distribution of p-nuclei in the Solar System is still under debate. We explore single degenerate Type Ia supernovae in the framework of two-dimensional SNIa delayed-detonation explosion models. Travaglio et al. (2011, TRV11) discussed the sensitivity of p-nuclei production to different SNIa models, i.e. delayed detonations of different strength, deflagrations, and the dependence on selected s-process seed distributions. Here we present a detailed study of p-process nucleosynthesis occuring in SNIa with s-process seeds at different metallicities. Based on the delayed-detonation model DDT-a of TRV11, we analyze the dependence of p-nucleosynthesis on the s-seed distribution obtained from different strengths of the 13C-pocket. Using a Galactic c...

  9. Time Evolution of Thermo-Mechanically and Chemically Coupled Magma Chambers

    Science.gov (United States)

    Ozimek, C.; Karlstrom, L.; Erickson, B. A.

    2015-12-01

    Complexity in the volcanic eruption cycle reflects time variation both of magma inputs to the crustal plumbing system and of crustal melt storage zones (magma chambers). These data include timing and volumes of eruptions, as well as erupted compositions. Thus models must take into account the coupled nature of physical attributes. Here we combine a thermo-mechanical model for magma chamber growth and pressurization with a chemical model for evolving chamber compositions, in the limit of rapid mixing, to study controls on eruption cycles and compositions through time. We solve for the mechanical evolution of a 1D magma chamber containing melt, crystals and bubbles, in a thermally evolving and viscoelastic crust. This pressure and temperature evolution constrains the input values of a chemical box model (Lee et al., 2013) that accounts for recharge, eruption, assimilation and fractional crystallization (REAFC) within the chamber. We plan to study the influence of melt supply, input composition, and chamber depth eruptive fluxes and compositions. Ultimately we will explore multiple chambers coupled by elastic-walled dikes. We expect that this framework will facilitate self-consistent inversion of long-term eruptive histories in terms of magma transport physics. Lee, C.-T. A., Lee, T.-C., Wu, C.-T., 2013. Modeling the compositional evolution of recharging, evacuating, and fractionating (REFC) magma chambers: Implications for differentiationof arc magmas. Geochemica Cosmochimica Acta, http://dx.doi.org/10.1016/j.gca.2013.08.009.

  10. The fruit cuticles of wild tomato species exhibit architectural and chemical diversity, providing a new model for studying the evolution of cuticle function.

    Science.gov (United States)

    Yeats, Trevor H; Buda, Gregory J; Wang, Zhonghua; Chehanovsky, Noam; Moyle, Leonie C; Jetter, Reinhard; Schaffer, Arthur A; Rose, Jocelyn K C

    2012-02-01

    The cuticle covers the aerial epidermis of land plants and plays a primary role in water regulation and protection from external stresses. Remarkable species diversity in the structure and composition of its components, cutin and wax, have been catalogued, but few functional or genetic correlations have emerged. Tomato (Solanum lycopersicum) is part of a complex of closely related wild species endemic to the northern Andes and the Galapagos Islands (Solanum Sect. Lycopersicon). Although sharing an ancestor wild species exceeding that of S. lycopersicum by up to seven fold. Wax composition varied in the occurrence of wax esters and triterpenoid isomers. Using a Solanum habrochaites introgression line population, we mapped triterpenoid differences to a genomic region that includes two S. lycopersicum triterpene synthases. Based on known metabolic pathways for acyl wax compounds, hypotheses are discussed to explain the appearance of wax esters with atypical chain lengths. These results establish a model system for understanding the ecological and evolutionary functional genomics of plant cuticles.

  11. Chemical evolution of protoplanetary disks - the effects of viscous accretion, turbulent mixing and disk winds

    CERN Document Server

    Heinzeller, Dominikus; Walsh, Catherine; Millar, Tom J

    2011-01-01

    We calculate the chemical evolution of protoplanetary disks considering radial viscous accretion, vertical turbulent mixing and vertical disk winds. We study the effects on the disk chemical structure when different models for the formation of molecular hydrogen on dust grains are adopted. Our gas-phase chemistry is extracted from the UMIST Database for Astrochemistry (Rate06) to which we have added detailed gas-grain interactions. We use our chemical model results to generate synthetic near- and mid-infrared LTE line emission spectra and compare these with recent Spitzer observations. Our results show that if H2 formation on warm grains is taken into consideration, the H2O and OH abundances in the disk surface increase significantly. We find the radial accretion flow strongly influences the molecular abundances, with those in the cold midplane layers particularly affected. On the other hand, we show that diffusive turbulent mixing affects the disk chemistry in the warm molecular layers, influencing the line ...

  12. Evolution and chemical yields of AGB stars: effects of low-temperature opacities

    CERN Document Server

    Ventura, Paolo

    2009-01-01

    The studies focused on the Thermally-Pulsing Asymptotic Giant Branch phase experienced by low- and intermediate-mass stars are extremely important in many astrophysical contexts. In particular, a detailed computation of their chemical yields is essential for several issues, ranging from the chemical evolution of galaxies, to the mechanisms behind the formation of globular clusters. Among all the uncertainties affecting the theoretical modelling of this phase, and described in the literature, it remains to be fully clarified which results are severely affected by the use of inadequate low-temperature opacities, that are in most cases calculated on the basis of the original chemical composition of the stars, and do not consider the changes in the surface chemistry due to the occurrence of the third dredge-up and hot-bottom burning. Our investigation is aimed at investigating this point. By means of full evolutionary models including new set of molecular opacities computed specifically with the AESOPUS tool, we ...

  13. SYNTHETIC AGB EVOLUTION .1. A NEW MODEL

    NARCIS (Netherlands)

    GROENEWEGEN, MAT; DEJONG, T

    1993-01-01

    We have constructed a model to calculate in a synthetic way the evolution of stars on the asymptotic giant branch (AGB). The evolution is started at the first thermal pulse (TP) and is terminated when the envelope mass has been lost due to mass loss or when the core mass reaches the Chandrasekhar ma

  14. Structure Model of Urban Traffic System Evolution

    Institute of Scientific and Technical Information of China (English)

    JIANG Ke-jin; ZHANG Dian-ye

    2008-01-01

    A structure model of urban traffic system evolution is built based on the analysis of the factors influencing the system evolution and the hierarchy between the factors. Then the influencing degrees of the factors are quantificationally analyzed by DEMATE (decision making trial and evaluation laboratory). The analysis results indicate that the traffic mode structure which achieves the highest central degree is the dominant influencing factor of the urban traffic system evolution, and that economy development and the traffic poficy axe the second important factors that also affect the traffic mode structures. Furthermore, physical geography is a basic restriction to the urban traffic system evolution.

  15. Markov Model Applied to Gene Evolution

    Institute of Scientific and Technical Information of China (English)

    季星来; 孙之荣

    2001-01-01

    The study of nucleotide substitution is very important both to our understanding of gene evolution and to reliable estimation of phylogenetic relationships. In this paper nucleotide substitution is assumed to be random and the Markov model is applied to the study of the evolution of genes. Then a non-linear optimization approach is proposed for estimating substitution in real sequences. This substitution is called the "Nucleotide State Transfer Matrix". One of the most important conclusions from this work is that gene sequence evolution conforms to the Markov process. Also, some theoretical evidences for random evolution are given from energy analysis of DNA replication.

  16. SPH code for dynamical and chemical evolution of disk galaxies

    CERN Document Server

    Berczik, P

    1998-01-01

    The problem of chemical and dynamical evolution of galaxies is one of the most attracting and complex problems of modern astrophysics. Within the framework of the given work the standard dynamic Smoothed Particle Hydrodynamics (SPH) code (Monaghan J.J. 1992, ARAA, 30, 543) is noticeably expanded. Our investigation concernes with the changes and incorporation of new ideas into the algorithmic inclusion of Star Formation (SF) and Super Novae (SN) explosions in SPH (Berczik P. & Kravchuk S.G., 1996, ApSpSci, 245, 27). The proposed energy criterion for definition of a place and efficiency of SF results in the successfully explain Star Formation History (SFH) in isolated galaxies of different types. On the base of original ideas we expand a code in a more realistic way of the description of effects of return of a hot, chemical enriched gas in Interstellar Matter (ISM). In addition to the account of SNII, we offer the self-agreed account of SNIa and PN. This allows to describe not only the ISM content of $ O^{1...

  17. Modelling language evolution: Examples and predictions

    Science.gov (United States)

    Gong, Tao; Shuai, Lan; Zhang, Menghan

    2014-06-01

    We survey recent computer modelling research of language evolution, focusing on a rule-based model simulating the lexicon-syntax coevolution and an equation-based model quantifying the language competition dynamics. We discuss four predictions of these models: (a) correlation between domain-general abilities (e.g. sequential learning) and language-specific mechanisms (e.g. word order processing); (b) coevolution of language and relevant competences (e.g. joint attention); (c) effects of cultural transmission and social structure on linguistic understandability; and (d) commonalities between linguistic, biological, and physical phenomena. All these contribute significantly to our understanding of the evolutions of language structures, individual learning mechanisms, and relevant biological and socio-cultural factors. We conclude the survey by highlighting three future directions of modelling studies of language evolution: (a) adopting experimental approaches for model evaluation; (b) consolidating empirical foundations of models; and (c) multi-disciplinary collaboration among modelling, linguistics, and other relevant disciplines.

  18. Modelling language evolution: Examples and predictions.

    Science.gov (United States)

    Gong, Tao; Shuai, Lan; Zhang, Menghan

    2014-06-01

    We survey recent computer modelling research of language evolution, focusing on a rule-based model simulating the lexicon-syntax coevolution and an equation-based model quantifying the language competition dynamics. We discuss four predictions of these models: (a) correlation between domain-general abilities (e.g. sequential learning) and language-specific mechanisms (e.g. word order processing); (b) coevolution of language and relevant competences (e.g. joint attention); (c) effects of cultural transmission and social structure on linguistic understandability; and (d) commonalities between linguistic, biological, and physical phenomena. All these contribute significantly to our understanding of the evolutions of language structures, individual learning mechanisms, and relevant biological and socio-cultural factors. We conclude the survey by highlighting three future directions of modelling studies of language evolution: (a) adopting experimental approaches for model evaluation; (b) consolidating empirical foundations of models; and (c) multi-disciplinary collaboration among modelling, linguistics, and other relevant disciplines.

  19. CNEM: Cluster Based Network Evolution Model

    Directory of Open Access Journals (Sweden)

    Sarwat Nizamani

    2015-01-01

    Full Text Available This paper presents a network evolution model, which is based on the clustering approach. The proposed approach depicts the network evolution, which demonstrates the network formation from individual nodes to fully evolved network. An agglomerative hierarchical clustering method is applied for the evolution of network. In the paper, we present three case studies which show the evolution of the networks from the scratch. These case studies include: terrorist network of 9/11 incidents, terrorist network of WMD (Weapons Mass Destruction plot against France and a network of tweets discussing a topic. The network of 9/11 is also used for evaluation, using other social network analysis methods which show that the clusters created using the proposed model of network evolution are of good quality, thus the proposed method can be used by law enforcement agencies in order to further investigate the criminal networks

  20. Chemical Evolution of Mn in Three Dwarf Spheroidal Galaxies

    Indian Academy of Sciences (India)

    Men-Quan Liu; Jie Zhang

    2014-09-01

    Based on an improved model, more reasonable nucleosyn-thesis and explosion rate of SNeIa and CCSNe, we studied Mn evolution for three local dwarf spheroidal galaxies (dSphs), considering the detailed SNe yield and explosion rates for different types of progenitors. The results can explain the main observation ofMn abundance for tens stars in those dSphs, and give some constraints to the nucleosynthesis and explosion ratio of different types of supernovae and Star Formation Rates (SFR) in those dSphs.

  1. On a Nonlinear Model in Adiabatic Evolutions

    Science.gov (United States)

    Sun, Jie; Lu, Song-Feng

    2016-08-01

    In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041

  2. The role of OH in the chemical evolution of protoplanetary disks II. Gas-rich environments

    CERN Document Server

    Molano, Germán Chaparro

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims. Our goal is to improve on chemical models by treating cosmic rays, the main source of ionization in the midplane of the disk, in a way that is consistent with current knowledge of the gas and grain environment present in those regions. We trace the effects of cosmic rays by identifying the main chemical reaction channels and also the main contributors to the gas opacity to cosmic-ray-induced UV photons. This information is crucial in implementing gas opacities for cosmic-ray-induced reactions in full 2D protoplanetary disk models. Methods. We considered time-dependent chemical models within the range 1-10 AU in the midplane of a T Tauri disk. The extinction of cosmic-ray-induced UV photons by gaseous species was included in the calculation of photorates at each timestep. We integrated...

  3. Second Symposium on Chemical Evolution and the Origin of Life

    Science.gov (United States)

    Devincenzi, D. L. (Editor); model. (Editor)

    1986-01-01

    Recent findings by NASA Exobiology investigators are reported. Scientific papers are presented in the following areas: cosmic evolution of biogenic compounds, prebiotic evolution (planetary and molecular), early evolution of life (biological and geochemical), evolution of advanced life, solar system exploration, and the Search for Extraterrestrial Intelligence (SETI).

  4. Early Star Formation and Chemical Evolution in Proto-Galactic Clouds

    CERN Document Server

    Saleh, L; Mathews, G J; Saleh, Lamya; Beers, Timothy C.; Mathews, Grant J.

    2004-01-01

    We present numerical simulations to describe the evolution of pre-Galactic clouds in a model which is motivated by cold dark matter simulations of hierarchical galaxy formation. We adopt a SN-induced star-formation mechanism within a model that follows the evolution of chemical enrichment and energy input to the clouds by Type II and Type Ia supernovae. We utilize metallicity-dependent yields for all elements at all times, and include effects of finite stellar lifetimes. We derive the metallicity distribution functions for stars in the clouds, their age-metallicity relation, and relative elemental abundances for a number of alpha- and Fe-group elements. The stability of these clouds against destruction is discussed, and results are compared for different initial mass functions. We find that the dispersion of the metallicity distribution function observed in the outer halo is naturally reproduced by contributions from many clouds with different initial conditions. The predicted relative abundances of some alph...

  5. Chemical modeling of exoplanet atmospheres

    CERN Document Server

    Venot, Olivia

    2014-01-01

    The past twenty years have revealed the diversity of planets that exist in the Universe. It turned out that most of exoplanets are different from the planets of our Solar System and thus, everything about them needs to be explored. Thanks to current observational technologies, we are able to determine some information about the atmospheric composition, the thermal structure and the dynamics of these exoplanets, but many questions remain still unanswered. To improve our knowledge about exoplanetary systems, more accurate observations are needed and that is why the Exoplanet Characterisation Observatory (EChO) is an essential space mission. Thanks to its large spectral coverage and high spectral resolution, EChO will provide exoplanetary spectra with an unprecedented accuracy, allowing to improve our understanding of exoplanets. In this work, we review what has been done to date concerning the chemical modeling of exoplanet atmospheres and what are the main characteristics of warm exoplanet atmospheres, which a...

  6. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Directory of Open Access Journals (Sweden)

    E. C. Apel

    2010-03-01

    Full Text Available The volatile organic compound (VOC distribution in the Mexico City Metropolitan Area (MCMA and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs but with a substantial contribution from oxygenated volatile organic compounds (OVOCs, predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry model and MOZART (Model for Ozone and Related chemical Tracers were able to approximate the observed MCMA daytime patterns and absolute values of the VOC OH reactivity. The MOZART model is also in agreement with observations showing that NMHCs dominate the reactivity distribution except in the afternoon hours. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height.

    A northeast transport event was studied in which air originating in the MCMA was intercepted aloft with the Department of Energy (DOE G1 on 18 March and downwind with the National Center for Atmospheric Research (NCAR C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind; ozone was shown to be photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial extent and temporal evolution of the plume

  7. Chemical evolution of giant molecular clouds in simulations of galaxies

    CERN Document Server

    Richings, Alexander J

    2016-01-01

    We present an analysis of Giant Molecular Clouds (GMCs) identified in hydrodynamic simulations of isolated, low-mass (M* ~ 10^9 M_sol) disc galaxies, with a particular focus on the evolution of molecular abundances and the implications for CO emission and the X_CO conversion factor in individual clouds. We define clouds either as regions above a density threshold n_H,min = 10 cm^-3, or using an observationally motivated velocity-integrated CO line intensity threshold of 0.25 K km s^-1. Our simulations include a non-equilibrium treatment for the chemistry of 157 species, including 20 molecules. We use a suite of runs to carefully investigate the effects of numerical resolution and pressure floors (i.e. Jeans mass limiters). We find cloud lifetimes up to ~40 Myr, with a median of 13 Myr, in agreement with observations. At ten per cent solar metallicity, young clouds (<10-15 Myr) tend to be underabundant in H2 and CO compared to chemical equilibrium, by factors of ~3 and 1-2 orders of magnitude, respectively....

  8. The Galactic Habitable Zone I. Galactic Chemical Evolution

    CERN Document Server

    González, G; Ward, P; Gonzalez, Guillermo; Brownlee, Donald; Ward, Peter

    2001-01-01

    We propose the concept of a "Galactic Habitable Zone" (GHZ). Analogous to the Circumstellar Habitable Zone (CHZ), the GHZ is that region in the Milky Way where an Earth-like planet can retain liquid water on its surface and provide a long-term habitat for animal-like aerobic life. In this paper we examine the dependence of the GHZ on Galactic chemical evolution. The single most important factor is likely the dependence of terrestrial planet mass on the metallicity of its birth cloud. We estimate, very approximately, that a metallicity at least half that of the Sun is required to build a habitable terrestrial planet. The mass of a terrestrial planet has important consequences for interior heat loss, volatile inventory, and loss of atmosphere. A key issue is the production of planets that sustain plate tectonics, a critical recycling process that provides feedback to stabilize atmospheric temperatures on planets with oceans and atmospheres. Due to the more recent decline from the early intense star formation ac...

  9. The evolution of floral scent and insect chemical communication.

    Science.gov (United States)

    Schiestl, Florian P

    2010-05-01

    Plants have evolved a range of strategies to manipulate the behaviour of their insect partners. One powerful strategy is to produce signals that already have a role in the animals' own communication systems. To investigate to what extent the evolution of floral scents is correlated with chemical communication in insects, I analyse the occurrence, commonness, and evolutionary patterns of the 71 most common 'floral' volatile organic compounds (VOCs) in 96 plant families and 87 insect families. I found an overlap of 87% in VOCs produced by plants and insects. 'Floral' monoterpenes showed strong positive correlation in commonness between plants (both gymnosperms and angiosperms) and herbivores, whereas the commonness of 'floral' aromatics was positively correlated between angiosperms and both pollinators and herbivores. According to a multivariate regression analysis the commonness of 'floral' aromatics was best explained by their commonness in pollinators, whereas monoterpenes were best explained by herbivores. Among pollinator orders, aromatics were significantly more common in Lepidoptera than in Hymenoptera, whereas monoterpenes showed no difference among the two orders. Collectively, these patterns suggest that plants and insects converge in overall patterns of volatile production, both for attraction and defence. Monoterpenes seem to have evolved primarily for defence under selection by herbivores, whereas aromatics evolved signalling functions in angiosperms, primarily for pollinator attraction.

  10. Protoplanetary Disk Structure With Grain Evolution: the ANDES Model

    CERN Document Server

    Akimkin, V; Wiebe, D; Semenov, D; Pavlyuchenkov, Ya; Vasyunin, A; Birnstiel, T; Henning, Th

    2013-01-01

    We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes 1) a 1+1D frequency-dependent continuum radiative transfer module, 2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes surface reactions, 3) a module to calculate the gas thermal energy balance, and 4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains to the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partl...

  11. Trends in Substitution Models of Molecular Evolution

    Directory of Open Access Journals (Sweden)

    Miguel eArenas

    2015-10-01

    Full Text Available Substitution models of evolution describe the process of genetic variation through fixed mutations and constitute the basis of the evolutionary analysis at the molecular level. Almost forty years after the development of first substitution models, highly sophisticated and data-specific substitution models continue emerging with the aim of better mimicking real evolutionary processes. Here I describe current trends in substitution models of DNA, codon and amino acid sequence evolution, including advantages and pitfalls of the most popular models. The perspective concludes that despite the large number of currently available substitution models, further research is required for more realistic modeling, especially for DNA coding and amino acid data. Additionally, the development of more accurate complex models should be coupled with new implementations and improvements of methods and frameworks for substitution model selection and downstream evolutionary analysis.

  12. The Influence of Radial Stellar Migration on the Chemical Evolution of the Milky Way

    CERN Document Server

    Wang, Yue

    2013-01-01

    Stellar migration is an important dynamical process in Galactic disk. Here we model the radial stellar migration in the Galactic disk with an analytical method, then add it to detailed Galactic chemical evolution model to study the influence of radial stellar migration on the chemical evolution of the Milky Way, especially for the abundance gradients. We found that the radial stellar migration in the Galactic disk can make the profile of the G-dwarf metallicity distribution of the solar neighborhood taller and narrower, thus it becomes another solution to the "G-dwarf problem". It can also scatter the age-metallicity relation. However, after the migration, the abundance distributions along the Galactic radius don't change much, namely the abundance gradients would not be flattened by the radial stellar migration, which is different from the predictions of many theoretical works. But it can flatten the radial gradients of the mean chemical abundance of stars, and older stars possess flatter abundance gradients...

  13. Modeling Concept Evolution: A Historical Perspective

    Science.gov (United States)

    Rizzolo, Flavio; Velegrakis, Yannis; Mylopoulos, John; Bykau, Siarhei

    The world is changing, and so must the data that describes its history. Not surprisingly, considerable research effort has been spent in Databases along this direction, covering topics such as temporal models and schema evolution. A topic that has not received much attention, however, is that of concept evolution. For example, Germany (instance-level concept) has evolved several times in the last century as it went through different governance structures, then split into two national entities that eventually joined again. Likewise, a caterpillar is transformed into a butterfly, while a mother becomes two (maternally-related) entities. As well, the concept of Whale (a class-level concept) changed over the past two centuries thanks to scientific discoveries that led to a better understanding of what the concept entails. In this work, we present a formal framework for modeling, querying and managing such evolution. In particular, we describe how to model the evolution of a concept, and how this modeling can be used to answer historical queries of the form "How has concept X evolved over period Y". Our proposal extends an RDF-like model with temporal features and evolution operators. Then we provide a query language that exploits these extensions and supports historical queries.

  14. Mathematical Modeling of Chemical Stoichiometry

    Science.gov (United States)

    Croteau, Joshua; Fox, William P.; Varazo, Kristofoland

    2007-01-01

    In beginning chemistry classes, students are taught a variety of techniques for balancing chemical equations. The most common method is inspection. This paper addresses using a system of linear mathematical equations to solve for the stoichiometric coefficients. Many linear algebra books carry the standard balancing of chemical equations as an…

  15. PROTOPLANETARY DISK STRUCTURE WITH GRAIN EVOLUTION: THE ANDES MODEL

    Energy Technology Data Exchange (ETDEWEB)

    Akimkin, V.; Wiebe, D.; Pavlyuchenkov, Ya. [Institute of Astronomy of the RAS, Pyatnitskaya str. 48, Moscow (Russian Federation); Zhukovska, S.; Semenov, D.; Henning, Th. [Max-Planck-Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany); Vasyunin, A. [Department of Chemistry, The University of Virginia, VA (United States); Birnstiel, T., E-mail: akimkin@inasan.ru, E-mail: dwiebe@inasan.ru, E-mail: pavyar@inasan.ru, E-mail: zhukovska@mpia.de, E-mail: semenov@mpia.de, E-mail: henning@mpia.de, E-mail: anton.vasyunin@gmail.com, E-mail: tbirnstiel@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2013-03-20

    We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes (1) a 1+1D frequency-dependent continuum radiative transfer module, (2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes and surface reactions, (3) a module to calculate the gas thermal energy balance, and (4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains onto the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R {approx}< 50 AU) and lower in the outer disk (R {approx}> 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO{sub 2}, NH{sub 2}CN, HNO, H{sub 2}O, HCOOH, HCN, and CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.

  16. Nahoon: Time-dependent gas-phase chemical model

    Science.gov (United States)

    Wakelam, V.

    2014-09-01

    Nahoon is a gas-phase chemical model that computes the chemical evolution in a 1D temperature and density structure. It uses chemical networks downloaded from the KInetic Database for Astrochemistry (KIDA) but the model can be adapted to any network. The program is written in Fortran 90 and uses the DLSODES (double precision) solver from the ODEPACK package to solve the coupled stiff differential equations. The solver computes the chemical evolution of gas-phase species at a fixed temperature and density and can be used in one dimension (1D) if a grid of temperature, density, and visual extinction is provided. Grains, both neutral and negatively charged, and electrons are considered as chemical species and their concentrations are computed at the same time as those of the other species. Nahoon contains a test to check the temperature range of the validity of the rate coefficients and avoid extrapolations outside this range. A test is also included to check for duplication of chemical reactions, defined over complementary ranges of temperature.

  17. Radial metallicity gradients in spiral galaxies from H II regions and planetary nebulae: probing galactic chemical evolution

    Science.gov (United States)

    Stanghellini, Letizia

    2015-08-01

    Radial metallicity gradients, typically observed in spiral galaxies, are excellent constraints for chemical evolution models. The contemporary studies of the two stellar populations, whose progenitors have formed at different times, yield to the chemical and time constraining of the models. In this context, planetary nebula and HII region analysis proved to be ideal two-epochs test populations. We present an assortment of galaxies whose oxygen abundances have been determined both with weak- and strong-line methods, and whose radial metallicity gradients and their evolution in time have disclosed very interesting correlations with the galaxy characteristics. New results from our Gemini/GMOS observations, and a review of the best literature data, set the stage for a better understanding of spiral galaxy evolution.

  18. Neural network models of protein domain evolution

    OpenAIRE

    Sylvia Nagl

    2000-01-01

    Protein domains are complex adaptive systems, and here a novel procedure is presented that models the evolution of new functional sites within stable domain folds using neural networks. Neural networks, which were originally developed in cognitive science for the modeling of brain functions, can provide a fruitful methodology for the study of complex systems in general. Ethical implications of developing complex systems models of biomolecules are discussed, with particular reference to molecu...

  19. Chemical reactor modeling multiphase reactive flows

    CERN Document Server

    Jakobsen, Hugo A

    2014-01-01

    Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics.  The second edition consists of two volumes: Volume 1: Fundamentals. Volume 2: Chemical Engineering Applications In volume 1 most of the fundamental theory is presented. A few numerical model simulation application examples are given to elucidate the link between theory and applications. In volume 2 the chemical reactor equipment to be modeled are described. Several engineering models are introduced and discussed. A survey of the frequently used numerical methods, algorithms and schemes is provided. A few practical engineering applications of the modeling tools are presented and discussed. The working principles of several experimental techniques employed in order to get data for model validation are outlined. The monograph is based on lectures regularly taught in the fourth and fifth years graduate courses in transport phenomena and chemical reactor modeling, and in a post graduate course in modern reactor m...

  20. CHEMICAL EVOLUTION OF MILKY WAY TYPE GALAXIES IN THE MILLENNIUM SIMULATION

    Directory of Open Access Journals (Sweden)

    M. E. De Rossi

    2009-01-01

    Full Text Available In this work we make use of the Millennium Run, which is at the moment the largest high-resolution simulation of structure formation ever carried out, combined with the semi-analytical model of De Lucia & Blaizot (2007, to follow the chemical evolution of Milky Way type galaxies with the aim at understanding their level of enrich- ment and the dispersion in the mass-metallicity correlation. Our results suggest that Milky Way type systems tend to evolve passively with time without su ering signi cant mass accretion. The chemical e richment of these systems seems to be driven mainly by gas cooling, star formation eFFIciency and for the most massive progenitors by AGN feedback.

  1. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Energy Technology Data Exchange (ETDEWEB)

    Apel, E.; Springston, S.; Karl, T.; Emmons, L.; Flocke, F.; Hills, A. J.; Madronich, S.; Lee-Taylor, J.; Fried, A.; Weibring, P.; Walega, J.; Richter, D., Tie, X.; Mauldin, L.; Campos, T.; Sive, B.; Kleinman, L.; Springston, S., Zaveri, R.; deGouw, J.; Zheng, J.; Zhang, R.; Rudolph, J.; Junkermann, W.; Riemer, D. D.

    2009-11-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on 18 March and the NCAR C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the 19 March plume and to help interpret the OH

  2. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Directory of Open Access Journals (Sweden)

    W. Junkermann

    2009-11-01

    Full Text Available The volatile organic compound (VOC distribution in the Mexico City Metropolitan Area (MCMA and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs but with a substantial contribution from oxygenated volatile organic compounds (OVOCs, predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry model and MOZART (Model for Ozone and Related chemical Tracers were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on 18~March and the NCAR C130 one day later on 19~March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the 19~March plume and to help interpret

  3. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    Energy Technology Data Exchange (ETDEWEB)

    Apel, Eric; Emmons, L.; Karl, Thomas G.; Flocke, Frank M.; Hills, A. J.; Madronich, Sasha; Lee-Taylor, J.; Fried, Alan; Weibring, P.; Walega, J.; Richter, Dirk; Tie, X.; Mauldin, L.; Campos, Teresa; Weinheimer, Andrew J.; Knapp, David; Sive, B.; Kleinman, Lawrence I.; Springston, S.; Zaveri, Rahul A.; Ortega, John V.; Voss, Paul B.; Blake, D. R.; Baker, Angela K.; Warneke, Carsten; Welsh-Bon, Daniel; de Gouw, Joost A.; Zheng, J.; Zhang, Renyi; Rudolph, Jochen; Junkermann, W.; Riemer, D.

    2010-01-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on March 18 and the NCAR C130 one day later on March 19. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the March 19 plume and to help interpret the OH

  4. Chemical Evolution of Interstellar Dust into Planetary Materials

    Science.gov (United States)

    Fomenkova, M. N.; Chang, S.; DeVincenzi, Donald L. (Technical Monitor)

    1995-01-01

    Comets are believed to retain some interstellar materials, stored in fairly pristine conditions since-their formation. The composition and properties of cometary dust grains should reflect those of grains in the outer part of the protosolar nebula which, at least in part, were inherited from the presolar molecular cloud. However, infrared emission features in comets differ from their interstellar counterparts. These differences imply processing of interstellar material on its way to incorporation in comets, but C and N appear to be retained. Overall dust evolution from the interstellar medium (ISM) to planetary materials is accompanied by an increase in proportion of complex organics and a decrease in pure carbon phases. The composition of cometary dust grains was measured in situ during fly-by missions to comet Halley in 1986. The mass spectra of about 5000 cometary dust grains with masses of 5 x 10(exp -17) - 5 x 10(exp -12) g provide data about the presence and relative abundances of the major elements H, C, N, O,Na, Mg, Al, Si, S, Cl, K, Ca, Ti, Cr, Fe, Ni. The bulk abundances of major rock-forming elements integrated over all spectra were found to be solar within a factor of 2, while the volatile elements H, C, N, O in dust are depleted in respect to their total cosmic abundances. The abundances of C and N in comet dust are much closer to interstellar than to meteoritic and are higher than those of dust in the diffuse ISM. In dense molecular clouds dust grains are covered by icy mantles, the average composition of which is estimated to be H:C:N:O = 96:14:1:34. Up to 40% of elemental C and O may be sequestered in mantles. If we use this upper limit to add H, C, N and O as icy mantle material to the abundances residing in dust in the diffuse ISM, then the resulting values for H. C, and N match cometary abundances. Thus, ice mantles undergoing chemical evolution on grains in the dense ISM appear to have been transformed into less volatile and more complex organic

  5. Modeling Microscopic Chemical Sensors in Capillaries

    CERN Document Server

    Hogg, Tad

    2008-01-01

    Nanotechnology-based microscopic robots could provide accurate in vivo measurement of chemicals in the bloodstream for detailed biological research and as an aid to medical treatment. Quantitative performance estimates of such devices require models of how chemicals in the blood diffuse to the devices. This paper models microscopic robots and red blood cells (erythrocytes) in capillaries using realistic distorted cell shapes. The models evaluate two sensing scenarios: robots moving with the cells past a chemical source on the vessel wall, and robots attached to the wall for longer-term chemical monitoring. Using axial symmetric geometry with realistic flow speeds and diffusion coefficients, we compare detection performance with a simpler model that does not include the cells. The average chemical absorption is quantitatively similar in both models, indicating the simpler model is an adequate design guide to sensor performance in capillaries. However, determining the variation in forces and absorption as cells...

  6. Kinematic and chemical evolution of early-type galaxies

    CERN Document Server

    Ziegler, B L; Böhm, A; Bender, R; Fritz, A; Maraston, C

    2004-01-01

    We investigate in detail 13 early-type field galaxies with 0.2evolution in the B-band of 0.3-0.5mag for both samples. We compare measured Lick absorption line strengths (Hdelta, Hgamma, Hbeta, Mg_b, & Fe5335) with evolutionary stellar population models to derive light-averaged ages, metallicities and the element abundance ratios Mg/Fe. We find that all these three stellar parameters of the distant galaxies obey a scaling with velocity dispersion (mass) which is very well consistent with the one of local nearby galaxies. In particular, the distribution...

  7. Quantifying impacts of coupled chemical and physical heterogeneity on water quality evolution during Aquifer Storage and Recovery

    Science.gov (United States)

    Deng, H.; Descourvieres, C.; Seibert, S.; Harris, B.; Atteia, O.; Siade, A. J.; Prommer, H.

    2014-12-01

    Aquifer storage and recovery (ASR) is an important water management option in water-scarce regions. During wet periods surplus water is injected into suitable aquifers for storage and later recovery. ASR sites are, however, also ideal natural laboratories that provide opportunities for studying coupled physical and geochemical processes and water quality evolution at field-scale under well-controlled hydrological conditions. In this study, we use reactive transport modelling to assess the impacts of physical and chemical heterogeneities on the water quality evolution during the injection of oxic surface water into the anoxic, pyrite-bearing Leederville aquifer in Perth, Western Australia. Physical heterogeneity was identified from geophysical well logs and time lapse temperature logs. Those data were used to define the spatial, depth-varying alternation of three lithofacies (sandstone, siltstone and clay). Chemical heterogeneity was incorporated through distinct chemical zones, based on data derived from a comprehensive pre-trial geochemical characterization and from dedicated laboratory respirometer experiments. Calibration of flow and conservative transport parameters was constrained by the spatially varying measured chloride breakthrough behavior. Subsequent reactive transport modeling discerned the key geochemical processes that affected the water quality evolution during ASR. Clearly identified processes included oxidation of pyrite, mineralization of sedimentary organic carbon, ion exchange, dissolution of calcite and precipitation of ferrihydrite and siderite. We use the calibrated model to analyze the individual and the combined effects of the physical and chemical heterogeneities on the chemical composition of the recovered water during ASR.

  8. Chemical evolution and the galactic habitable zone of M31 (the Andromeda Galaxy)

    CERN Document Server

    Carigi, L; Garcia-Rojas, J

    2012-01-01

    We have computed the Galactic Habitable Zones (GHZs) of the Andromeda galaxy (M31) based mainly, but not exclusively, on the probability of terrestrial planet formation, which depends on the metallicity (Z) of the interstellar medium. The GHZ was therefore obtained from a chemical evolution model built to reproduce a precise metallicity gradient in the galactic disk, [O/H](r) $ = -0.015 \\pm 0.003 dex kpc^{-1} x r(kpc) + 0.44 \\pm 0.04 dex $. This gradient is the most probable when intrinsic scatter is present in the observational data. The chemical evolution model predicted a higher star formation history in both the halo and disk components of M31 and a less efficient inside-out galactic formation, compared to those of the Milky Way. If we assumed that Earth-like planets form with a probability law that follows the Z distribution shown by stars with detected planets, the most probable GHZ with basic life is located between 6 and 17 kpc on planets with ages between 4.5 and 1 Gy, and the most probable GHZ with ...

  9. The role of neutron star mergers in the chemical evolution of the Galactic halo

    CERN Document Server

    Cescutti, G; Matteucci, F; Chiappini, C; Hirschi, R

    2015-01-01

    Aims. We explore the problem of the site of production of Eu. We use also the information present in the observed spread in the Eu abundances in the early Galaxy, not only its average trend. Moreover, we extend to other heavy elements (Ba, Sr, Rb, Zr) our investigations to provide additional constraints to our results. Methods. We adopt a stochastic chemical evolution model taking into account inhomogeneous mixing. The adopted yields of Eu from neutron star mergers (NSM) and from core-collapse supernovae (SNII) are those that are able to explain the average [Eu/Fe]-[Fe/H] trend observed for solar neighborhood stars, in the framework of a well-tested homogeneous model for the chemical evolution of the MilkyWay. Rb, Sr, Zr, and Ba are produced by both the s- and r-process. The s-process contribution by spinstars is the same as in our previous papers. Results. NSM that merge in less than 10 Myr or NSM combined with a source of r-process generated by massive stars can explain the spread of [Eu/Fe] in the Galactic...

  10. A Simple Model for the Evolution of Evolution

    CERN Document Server

    Fussy, S; Schwabl, H; Fussy, Siegfried; Groessing, Gerhard; Schwabl, Herbert

    1997-01-01

    A simple model of macroevolution is proposed exhibiting both the property of punctuated equilibrium and the dynamics of potentialities for different species to evolve towards increasingly higher complexity. It is based on the phenomenon of "fractal evolution" which has been shown to constitute a fundamental property of nonlinear discretized systems with one memory- or random-based feedback loop. The latter involves a basic "cognitive" function of each species given by the power of distinction of states within some predefined resolution. The introduction of a realistic background noise limiting the range of the feedback operation yields a pattern signature in fitness space with a distribution of temporal boost/mutation distances according to a randomized devil's staircase function. Introducing a further level in the hierarchy of the system's rules, the possibility of an adaptive evolutionary change of the resolution itself is implemented, thereby providing a time-dependent measure of the species' cognitive abi...

  11. Fourth Symposium on Chemical Evolution and the Origin and Evolution of Life

    Science.gov (United States)

    Wharton, Robert A., Jr. (Editor); Andersen, Dale T. (Editor); Bzik, Sara E. (Editor); Rummel, John D. (Editor)

    1991-01-01

    This symposium was held at the NASA Ames Research Center, Moffett Field, California, July 24-27, 1990. The NASA exobiology investigators reported their recent research findings. Scientific papers were presented in the following areas: cosmic evolution of biogenic compounds, prebiotic evolution (planetary and molecular), early evolution of life (biological and geochemical), evolution of advanced life, solar system exploration, and the Search for Extraterrestrial Intelligence (SETI).

  12. Global Models of Planet Formation and Evolution

    CERN Document Server

    Mordasini, C; Dittkrist, K -M; Jin, S; Alibert, Y

    2014-01-01

    Despite the increase in observational data on exoplanets, the processes that lead to the formation of planets are still not well understood. But thanks to the high number of known exoplanets, it is now possible to look at them as a population that puts statistical constraints on theoretical models. A method that uses these constraints is planetary population synthesis. Its key element is a global model of planet formation and evolution that directly predicts observable planetary properties based on properties of the natal protoplanetary disk. To do so, global models build on many specialized models that address one specific physical process. We thoroughly review the physics of the sub-models included in global formation models. The sub-models can be classified as models describing the protoplanetary disk (gas and solids), the (proto)planet (solid core, gaseous envelope, and atmosphere), and finally the interactions (migration and N-body interaction). We compare the approaches in different global models and id...

  13. Chemical Evolution of the Stellar and Gaseous Components of Galaxies in Hydrodynamical Cosmological Simulations

    CERN Document Server

    Cora, S A; Lambas, D G; Mosconi, M B

    2000-01-01

    We present preliminary results on the effects of mergers on the chemical properties of galactic objects in hierarchical clustering scenarios. We adopt a hydrodynamical chemical code that allows to describe the coupled evolution of dark matter and baryons within a cosmological context. We found that disk-like and spheroid-like objects have distinctive metallicity patterns that may be the result of different evolution.

  14. Modelling the sulphur chemistry evolution in Orion KL

    CERN Document Server

    Esplugues, G B; Goicoechea, J R; Cernicharo, J

    2014-01-01

    We study the sulphur chemistry evolution in the Orion KL along the gas and grain phases of the cloud. We investigate the processes that dominate the sulphur chemistry and to determine how physical and chemical parameters, such as the final star mass and the initial elemental abundances, influence the evolution of the hot core and of the surrounding outflows and shocked gas (the plateau). We independently modelled the chemistry evolution of both components using the time-dependent gas-grain model UCL_CHEM and considering two different phase calculations. Phase I starts with the collapsing cloud and the depletion of atoms and molecules onto grain surfaces. Phase II starts when a central protostar is formed and the evaporation from grains takes place. We show how the gas density, the gas depletion efficiency, the initial sulphur abundance, the shocked gas temperature and the different chemical paths on the grains leading to different reservoirs of sulphur on the mantles affect sulphur-bearing molecules at differ...

  15. A model for evolution and extinction

    CERN Document Server

    Roberts, B W; Roberts, Bruce W

    1995-01-01

    We present a model for evolution and extinction in large ecosystems. The model incorporates the effects of interactions between species and the influences of abiotic environmental factors. We study the properties of the model by approximate analytic solution and also by numerical simulation, and use it to make predictions about the distribution of extinctions and species lifetimes that we would expect to see in real ecosystems. It should be possible to test these predictions against the fossil record. The model indicates that a possible mechanism for mass extinction is the coincidence of a large coevolutionary avalanche in the ecosystem with a severe environmental disturbance.

  16. Punctuated evolution for the quasispecies model

    Science.gov (United States)

    Krug, Joachim; Karl, Christian

    2003-02-01

    Biological evolution in a sequence space with random fitnesses is studied within Eigen's quasispecies model. A strong selection limit is employed, in which the population resides at a single sequence at all times. Evolutionary trajectories start at a randomly chosen sequence and proceed to the global fitness maximum through a small number of intermittent jumps. The distribution of the total evolution time displays a universal power law tail with exponent -2. Simulations show that the evolutionary dynamics is very well represented by a simplified shell model, in which the sub-populations at local fitness maxima grow independently. The shell model allows for highly efficient simulations, and provides a simple geometric picture of the evolutionary trajectories.

  17. Modeling Network Evolution Using Graph Motifs

    CERN Document Server

    Conway, Drew

    2011-01-01

    Network structures are extremely important to the study of political science. Much of the data in its subfields are naturally represented as networks. This includes trade, diplomatic and conflict relationships. The social structure of several organization is also of interest to many researchers, such as the affiliations of legislators or the relationships among terrorist. A key aspect of studying social networks is understanding the evolutionary dynamics and the mechanism by which these structures grow and change over time. While current methods are well suited to describe static features of networks, they are less capable of specifying models of change and simulating network evolution. In the following paper I present a new method for modeling network growth and evolution. This method relies on graph motifs to generate simulated network data with particular structural characteristic. This technique departs notably from current methods both in form and function. Rather than a closed-form model, or stochastic ...

  18. Computational modelling of evolution: ecosystems and language

    CERN Document Server

    Lipowski, Adam

    2008-01-01

    Recently, computational modelling became a very important research tool that enables us to study problems that for decades evaded scientific analysis. Evolutionary systems are certainly examples of such problems: they are composed of many units that might reproduce, diffuse, mutate, die, or in some cases for example communicate. These processes might be of some adaptive value, they influence each other and occur on various time scales. That is why such systems are so difficult to study. In this paper we briefly review some computational approaches, as well as our contributions, to the evolution of ecosystems and language. We start from Lotka-Volterra equations and the modelling of simple two-species prey-predator systems. Such systems are canonical example for studying oscillatory behaviour in competitive populations. Then we describe various approaches to study long-term evolution of multi-species ecosystems. We emphasize the need to use models that take into account both ecological and evolutionary processe...

  19. Coulombic Models in Chemical Bonding.

    Science.gov (United States)

    Sacks, Lawrence J.

    1986-01-01

    Compares the coulumbic point charge model for hydrogen chloride with the valence bond model. It is not possible to assign either a nonpolar or ionic canonical form of the valence bond model, while the covalent-ionic bond distribution does conform to the point charge model. (JM)

  20. Engineered Barrier System: Physical and Chemical Environment Model

    Energy Technology Data Exchange (ETDEWEB)

    D. M. Jolley; R. Jarek; P. Mariner

    2004-02-09

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  1. Chemical equilibrium modeling of detonation

    Energy Technology Data Exchange (ETDEWEB)

    Fried, Laurence E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bastea, Sorin [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2010-05-19

    Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Furthermore the history of HE materials is long, their condensed-phase chemical properties are poorly understood.

  2. Nonequilibrium Steady States in Models of Prebiotic Evolution

    Science.gov (United States)

    Halley, J. W.; Wynveen, A.

    2014-12-01

    We report computational results from a model for prebiotic evolution.The model is schematic, but contains a correct description of thebasic statistical problem associated with understanding how the initiation of life can occur given the strong entropic barriers (sometimesknown as 'Eigen's paradox' and appearing in experiments as the 'tar problem'). The model is similar to one of the modelsintroduced years ago by Kauffman and coworkers. The important innovationwhich we introduce is imposition of the requirement that, to qualifyas a lifelike dynamical chemical system, the system must not be inchemical equilibrium. That constraint turns out to have major qualitativeeffects on the conclusions. In particular, very sparse chemical networksturn out to be the most favorable ones for generating autocatalyticnonequilibrium states. This suggests qualitatively that deserts might bebetter than ponds for initiating life. Some details of the models andsimulations will be described, including recent results in which weintroduce spatial diffusion and a proxy for temperature into the description ofthe model chemistry. Results on growth rates, convergence and theoverall probability of generation of lifelike states as a function ofparameters of the chemical network model will be presented.

  3. Oxygen abundance in local disk and bulge: chemical evolution with a strictly universal IMF

    Science.gov (United States)

    Caimmi, R.; Milanese, E.

    2009-09-01

    This paper has two parts: one about observational constraints related to the empirical differential oxygen abundance distribution (EDOD), and the other about inhomogeneous models of chemical evolution, in particular the theoretical differential oxygen abundance distribution (TDOD). In the first part, the EDOD is deduced from subsamples related to two different samples involving (i) N=532 solar neighbourhood (SN) stars within the range, -1.5Prochaska et al. in Astron. J. 120:2513, 2000); (3) the fit to thin disk data implies an oxygen abundance range similar to its thick disk counterpart, with the extension of conclusion (2) to the thin disk, and the evolution of the thick + thin disk as a whole (Haywood in Mon. Not. R. Astron. Soc. 388:1175, 2008) cannot be excluded; (4) leaving outside the outer halo, a fit to the data related to different environments is provided by models with a strictly universal IMF but different probabilities of a region being active, which implies different global efficiencies of the star formation rate; (5) a special case of stellar migration across the disk can be described by models with enhanced star formation, where a fraction of currently observed SN stars were born in situ and a comparable fraction is due to the net effect of stellar migration, according to recent results based on high-resolution N-body + smooth particle hydrodynamics simulations (Ro\\vskar et al. in Astrophys. J. Lett. 684:L79, 2008).

  4. Chemical communication: a jewel sheds light on signal evolution.

    Science.gov (United States)

    Lassance, Jean-Marc; Löfstedt, Christer

    2013-05-06

    When others show sexy tails or sing elaborate songs, many animals use the language of chemistry to attract potential mates. A study provides insights into the evolutionary conundrum of how new chemical signals can evolve in an established communication system.

  5. Error estimation and adaptive chemical transport modeling

    Directory of Open Access Journals (Sweden)

    Malte Braack

    2014-09-01

    Full Text Available We present a numerical method to use several chemical transport models of increasing accuracy and complexity in an adaptive way. In largest parts of the domain, a simplified chemical model may be used, whereas in certain regions a more complex model is needed for accuracy reasons. A mathematically derived error estimator measures the modeling error and provides information where to use more accurate models. The error is measured in terms of output functionals. Therefore, one has to consider adjoint problems which carry sensitivity information. This concept is demonstrated by means of ozone formation and pollution emission.

  6. New Source Model for Chemical Explosions

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiaoning [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-03

    With sophisticated inversion scheme, we recover characteristics of SPE explosions such as corner frequency fc and moment M0, which are used to develop a new source model for chemical explosions.

  7. Valence shell charge concentration (VSCC) evolution: a tool to investigate the transformations within a VSCC throughout a chemical reaction.

    Science.gov (United States)

    Cortés-Guzmán, Fernando; Gómez, Rosa María; Rocha-Rinza, Tomas; Sánchez-Obregón, María Azucena; Guevara-Vela, José Manuel

    2011-11-17

    Theoretical studies about reaction mechanisms are usually limited to the determination of the energetic paths that connect reactants, transition states, and products. Recently, our group proposed the structural evolution, which has provided insights about the molecular structure changes occurring along a reaction path. Structural evolution may be defined as the development of a chemical reaction system across the partitioning of the nuclear configuration space into a finite number of structural regions defined on account of the topology of a scalar field, e.g., the electron density. In this paper, we present a tool to investigate within the framework of the Quantum Theory of Atoms in Molecules the evolvement of the Valence Shell Charge Concentration, the VSCC evolution, which is the description of the changes of electron density concentrations and depletions around the bonding area of an atom. The VSCC evolution provides supplementary information to the structural evolution because it allows the analysis of valence shells within a structural region, i.e., a subset of R(Q) with the same connectivity among the atoms forming a molecule. This new approach constitutes also a complement to the Valence-Shell Electron Pair Repulsion (VSEPR) model because it gives an account of the adjustments of electron pairs in the valence shell of an atom across a chemical reaction. The insertion reaction in the hydroformylation reaction of ethylene, the reduction of cyclohexanone with lithium aluminum hydride, the oxidation of methanol with chlorochromate, and the bimolecular nucleophilic substitution of CH(3)F with F(-) are used as representatives examples of the application of the VSCC evolution. Overall, this paper shows how the VSCC evolution through an analysis of the modifications of local charge concentrations and depletions in individual steps of a chemical reaction gives new insights about these processes.

  8. Geochemical modelling study on the age and evolution of the groundwater at the Romuvaara site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Vuorinen, U.; Leino-Forsman, H. [Technical Research Centre of Finland, Espoo (Finland); Snellman, M. [Imatran Voima Oy, Helsinki (Finland)

    1996-09-01

    The objective of the study was to interpret the processes and factors which control the hydrogeochemistry (e.g. pH and redox conditions) in the radioactive waste disposal environment. A model of the hydrogeochemical evolution and the chemical flowpaths in different parts of the bedrock at the Romuvaara (in Finland) site has been created. The significance of chemical reactions along different flowpaths is calculated. Furthermore, the consistency of the hydrogeochemical model and the hydrogeological model is examined. (107 refs.).

  9. Chemical Kinetic Modeling of Advanced Transportation Fuels

    Energy Technology Data Exchange (ETDEWEB)

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  10. Reduced Chemical Kinetic Model for Titan Entries

    Directory of Open Access Journals (Sweden)

    Romain Savajano

    2011-01-01

    Full Text Available A reduced chemical kinetic model for Titan's atmosphere has been developed. This new model with 18 species and 28 reactions includes the mainfeatures of a more complete scheme, respecting the radiative fluxes. It has been verified against three key elements: a sensitivity analysis, the equilibrium chemical composition using shock tube simulations in CHEMKIN, and the results of computational fluid dynamics (CFDs simulations.

  11. Modelling Chemical Reasoning to Predict Reactions

    OpenAIRE

    Segler, Marwin H. S.; Waller, Mark P.

    2016-01-01

    The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outpe...

  12. Chemical Evolution and Star Formation History of the Disks of Spirals in Local Group

    Science.gov (United States)

    Yin, J.

    2011-05-01

    Milky Way (MW), M31 and M33 are the only three spiral galaxies in our Local group. MW and M31 have similar mass, luminosity and morphology, while M33 is only about one tenth of MW in terms of its baryonic mass. Detailed theoretical researches on these three spirals will help us to understand the formation and evolution history of both spiral galaxies and Local group. Referring to the phenomenological chemical evolution model adopted in MW disk, a similar model is established to investigate the star formation and chemical enrichment history of these three local spirals. Firstly, the properties of M31 disk are studied by building a similar chemical evolution model which is able to successfully describe the MW disk. It is expected that a simple unified phenomenological chemical evolution model could successfully describe the radial and global properties of both disks. Comparing with the former work, we adopt an extensive data set as model constraints, including the star formation profile of M31 disk derived from the recent UV data of GALEX. The comparison among the observed properties of these two disks displays very interesting similarities in their radial profiles when the distance from the galactic center is expressed in terms of the corresponding scale length. This implies some common processes in their formation and evolution history. Based on the observed data of the gas mass surface density and SFR surface density, the SFR radial profile of MW can be well described by Kennicutt-Schmidt star formation law (K-S law) or modified K-S law (SFR is inversely proportional to the distance from the galactic center), but this is not applicable to the M31 disk. Detailed calculations show that our unified model describes fairly well all the main properties of the MW disk and most properties of M31 disk, provided that the star formation efficiency of M31 disk is adjusted to be twice as large as that of MW disk (as anticipated from the lower gas fraction of M31). However, the

  13. Simulated evolution in a linguistic model

    Directory of Open Access Journals (Sweden)

    Carsten Knudsen

    2000-01-01

    Full Text Available In this paper we present a simple evolutionary model of childrens’ language development, whose central nonlinearity is represented by noninvertible discrete dynamical systems. The underlying assumption of the model is that children learn from other children through their interactions. The concrete learning mechanism used is based on imitation, where childrens’ languages evolve through attempting to imitate other childrens' utterances. The use of imitation in evolutionary models has been used, for instance, in evolution of bird song by Kaneko and Suzuki. The model to be presented here is similar to Kaneko and Suzuki’s model, the primary difference being the continuous nature of bird song, in contrast to the discrete nature of childrens’ utterances.

  14. Biomass torrefaction: modeling of volatile and solid product evolution kinetics.

    Science.gov (United States)

    Bates, Richard B; Ghoniem, Ahmed F

    2012-11-01

    The aim of this work is the development of a kinetics model for the evolution of the volatile and solid product composition during torrefaction conditions between 200 and 300°C. Coupled to an existing two step solid mass loss kinetics mechanism, this model describes the volatile release kinetics in terms of a set of identifiable chemical components, permitting the solid product composition to be estimated by mass conservation. Results show that most of the volatiles released during the first stage include highly oxygenated species such as water, acetic acid, and carbon dioxide, while volatiles released during the second step are composed primarily of lactic acid, methanol, and acetic acid. This kinetics model will be used in the development of a model to describe reaction energy balance and heat release dynamics.

  15. The Dynamical and Chemical Evolution of Dwarf Spheroidal Galaxies with GEAR

    CERN Document Server

    Revaz, Yves

    2011-01-01

    We present a fully parallel chemo-dynamical Tree/SPH code, GEAR, which allows to perform high resolution simulations with detailed chemical diagnostics. Starting from the public version of Gadget-2, we included the complex treatment of the baryon physics: gas cooling, star formation law, chemical evolution and supernovae feedback. We qualified the performances of GEAR with the case of dSph galaxies. GEAR conserves the total energy budget of the systems to better than 5% over 14Gyr and proved excellent convergence of the results with numerical resolution. We showed that models of dSphs in a static Euclidean space, where the expansion of the universe is neglected are valid. In addition, we tackled some of the existing open questions in the field, like the stellar mass fraction of dSphs and its link with the predicted dark matter halo mass function, the effect of the supernova feedback, the spatial distribution of the stellar populations, and the origin of the diversity in star formation histories and chemical a...

  16. Optimal evolution models for quantum tomography

    Science.gov (United States)

    Czerwiński, Artur

    2016-02-01

    The research presented in this article concerns the stroboscopic approach to quantum tomography, which is an area of science where quantum physics and linear algebra overlap. In this article we introduce the algebraic structure of the parametric-dependent quantum channels for 2-level and 3-level systems such that the generator of evolution corresponding with the Kraus operators has no degenerate eigenvalues. In such cases the index of cyclicity of the generator is equal to 1, which physically means that there exists one observable the measurement of which performed a sufficient number of times at distinct instants provides enough data to reconstruct the initial density matrix and, consequently, the trajectory of the state. The necessary conditions for the parameters and relations between them are introduced. The results presented in this paper seem to have considerable potential applications in experiments due to the fact that one can perform quantum tomography by conducting only one kind of measurement. Therefore, the analyzed evolution models can be considered optimal in the context of quantum tomography. Finally, we introduce some remarks concerning optimal evolution models in the case of n-dimensional Hilbert space.

  17. Statistics of Certain Models of Evolution

    CERN Document Server

    Standish, R K

    1999-01-01

    In a recent paper, Newman surveys the literature on power law spectra in evolution, self-organised criticality and presents a model of his own to arrive at a conclusion that self-organised criticality is not necessary for evolution. Not only did he miss a key model (Ecolab) that has a clear self-organised critical mechanism, but also Newman's model exhibits the same mechanism that gives rise to power law behaviour as does Ecolab. I would argue that this mechanism should be described as self-organised critical. In this paper, I have also implemented Newman's model using the Ecolab software, removing the restriction that the number of species remains constant. It turns out that the requirement of constant species number is non-trivial, leading to a global coupling between species that is similar in effect to the species interactions seen in Ecolab. In fact, the model must self-organise to a state where the long time average of speciations balances that of the extinctions, otherwise the system either collapses o...

  18. Modeling Evolution of Weighted Clique Networks

    Institute of Scientific and Technical Information of China (English)

    杨旭华; 蒋峰岭; 陈胜勇; 王万良

    2011-01-01

    We propose a weighted clique network evolution model, which expands continuously by the addition of a new clique (maximal complete sub-graph) at. each time step. And the cliques in the network overlap with each other. The structural expansion of the weighted clique network is combined with the edges' weight and vertices' strengths dynamical evolution. The model is based on a weight-driven dynamics and a weights' enhancement mechanism combining with the network growth. We study the network properties, which include the distribution of vertices' strength and the distribution o~ edges' weight, and find that both the distributions follow the scale-free distribution. At the same time, we also find that the relationship between strength and degree of a vertex are linear correlation during the growth of the network. On the basis of mean-field theory, we study the weighted network model and prove that both vertices' strength and edges' weight of this model follow the scale-free distribution. And we exploit an algorithm to forecast the network dynamics, which can be used to reckon the distributions and the corresponding scaling exponents. Furthermore, we observe that mean-field based theoretic results are consistent with the statistical data of the model, which denotes the theoretical result in this paper is effective.

  19. Modeling Evolution of Weighted Clique Networks

    Science.gov (United States)

    Yang, Xu-Hua; Jiang, Feng-Ling; Chen, Sheng-Yong; Wang, Wan-Liang

    2011-11-01

    We propose a weighted clique network evolution model, which expands continuously by the addition of a new clique (maximal complete sub-graph) at each time step. And the cliques in the network overlap with each other. The structural expansion of the weighted clique network is combined with the edges' weight and vertices' strengths dynamical evolution. The model is based on a weight-driven dynamics and a weights' enhancement mechanism combining with the network growth. We study the network properties, which include the distribution of vertices' strength and the distribution of edges' weight, and find that both the distributions follow the scale-free distribution. At the same time, we also find that the relationship between strength and degree of a vertex are linear correlation during the growth of the network. On the basis of mean-field theory, we study the weighted network model and prove that both vertices' strength and edges' weight of this model follow the scale-free distribution. And we exploit an algorithm to forecast the network dynamics, which can be used to reckon the distributions and the corresponding scaling exponents. Furthermore, we observe that mean-field based theoretic results are consistent with the statistical data of the model, which denotes the theoretical result in this paper is effective.

  20. Prebiotic coordination chemistry: The potential role of transition-metal complexes in the chemical evolution

    Science.gov (United States)

    Beck, M.

    1979-01-01

    In approaching the extremely involved and complex problem of the origin of life, consideration of the coordination chemistry appeared not only as a possibility but as a necessity. The first model experiments appear to be promising because of prebiotic-type synthesis by means of transition-metal complexes. It is especially significant that in some instances various types of vitally important substances (nucleic bases, amino acids) are formed simultaneously. There is ground to hope that systematic studies in this field will clarify the role of transition-metal complexes in the organizatorial phase of chemical evolution. It is obvious that researchers working in the fields of the chemistry of cyano and carbonyl complexes, and of the catalytic effect of transition-metal complexes are best suited to study these aspects of the attractive and interesting problem of the origin of life.

  1. Robust numerical simulation of porosity evolution in chemical vapor infiltration III: three space dimension

    CERN Document Server

    Jin Shi

    2003-01-01

    Chemical vapor infiltration (CVI) process is an important technology to fabricate ceramic matrix composites (CMC's). In this paper, a three-dimension numerical model is presented to describe pore microstructure evolution during the CVI process. We extend the two-dimension model proposed in [S. Jin, X.L. Wang, T.L. Starr, J. Mater. Res. 14 (1999) 3829; S. Jin. X.L. Wang, T.L. Starr, X.F. Chen, J. Comp. Phys. 162 (2000) 467], where the fiber surface is modeled as an evolving interface, to the three space dimension. The 3D method keeps all the virtue of the 2D model: robust numerical capturing of topological changes of the interface such as the merging, and fast detection of the inaccessible pores. For models in the kinetic limit, where the moving speed of the interface is constant, some numerical examples are presented to show that this three-dimension model will effectively track the change of porosity, close-off time, location and shape of all pores.

  2. Chemical Evolution and the Galactic Habitable Zone of M31

    NARCIS (Netherlands)

    Carigi, Leticia; Garcia-Rojas, Jorge; Meneses-Goytia, Sofia

    2013-01-01

    We have computed the Galactic Habitable Zones (GHZs) of the Andromeda galaxy (M31) based on the probability of terrestrial planet formation, which depends on the metallicity (Z) of the interstellar medium, and the number of stars formed per unit surface area. The GHZ was obtained from a chemical evo

  3. Modeling the effects of dust evolution on the SEDs of galaxies of different morphological type

    CERN Document Server

    Schurer, A; Silva, L; Pipino, A; Granato, G L; Matteucci, F; Maiolino, R

    2009-01-01

    We present photometric evolution models of galaxies, in which, in addition to the stellar component, the effects of an evolving dusty interstellar medium have been included with particular care. Starting from the work of Calura, Pipino & Matteucci (2008), in which chemical evolution models have been used to study the evolution of both the gas and dust components of the interstellar medium in the solar neighbourhood, elliptical and irregular galaxies, it has been possible to combine these models with a spectrophotometric stellar code that includes dust reprocessing (GRASIL) (Silva et al. 1998) to analyse the evolution of the spectral energy distributions (SED) of these galaxies. We test our models against observed SEDs both in the local universe and at high redshift and use them to predict how the percentage of reprocessed starlight evolves for each type of galaxy. The importance of following the dust evolution is investigated by comparing our results with those obtained by adopting simple assumptions to t...

  4. Modeling chlorine dioxide bleaching of chemical pulp

    OpenAIRE

    Tarvo, Ville

    2010-01-01

    This doctoral thesis deals with the phenomenon-based modeling of pulp bleaching. Previous bleaching models typically utilize one or two empirical correlations to predict the kinetics in kappa number development. Empirical correlations are simple to develop, but their parameters are often tied to the validation system. A major benefit of physico-chemical phenomenon models is that they are valid regardless of the reaction environment. Furthermore, modeling the bleaching processes at molecular l...

  5. Chemical Kinetic Models for Advanced Engine Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-22

    The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.

  6. Late stages of the evolution of A-type stars on the main sequence: comparison between observed chemical abundances and diffusion models for 8 Am stars of the Praesepe cluster

    CERN Document Server

    Fossati, L; Monier, R; Khan, S A; Kochukhov, O; Landstreet, J; Wade, G; Weiss, W

    2007-01-01

    Aims. We aim to provide observational constraints on diffusion models that predict peculiar chemical abundances in the atmospheres of Am stars. We also intend to check if chemical peculiarities and slow rotation can be explained by the presence of a weak magnetic field. Methods. We have obtained high resolution, high signal-to-noise ratio spectra of eight previously-classified Am stars, two normal A-type stars and one Blue Straggler, considered to be members of the Praesepe cluster. For all of these stars we have determined fundamental parameters and photospheric abundances for a large number of chemical elements, with a higher precision than was ever obtained before for this cluster. For seven of these stars we also obtained spectra in circular polarization and applied the LSD technique to constrain the longitudinal magnetic field. Results. No magnetic field was detected in any of the analysed stars. HD 73666, a Blue Straggler previously considered as an Ap (Si) star, turns out to have the abundances of a no...

  7. Galactic chemical evolution: The role of the first stars

    CERN Document Server

    Cescutti, Gabriele

    2013-01-01

    The massive First Stars (the first ones to contribute to the chemical enrichment of the Universe due to their short lifetimes) are long dead, and even though efforts to directly observe them in high redshift galaxies are underway, a step forward in this field will have to wait for JWST and ELT. The only way to currently validate the picture arising from the most modern hydro-dynamical simulations of the formation of First Stars is to search for their imprints left on the oldest stars in our Galaxy. Which imprints are we looking for? In the last years our group has found that many chemical anomalies observed in very metal-poor halo stars, as well in the oldest bulge globular cluster, suggest the first stellar generations to have been fast rotators. After giving a brief overview of the aforementioned results, we highlight the impact of fast rotating metal-poor massive stars on the chemical enrichment of heavy-elements such as Sr and Ba. Indeed, in fast rotating massive stars the s-process production is boosted....

  8. Hydro-chemical study of the evolution of interstellar pre-biotic molecules during the collapse of molecular clouds

    CERN Document Server

    Majumdar, Liton; Chakrabarti, Sandip K; Chakrabarti, Sonali

    2012-01-01

    One of the stumbling blocks for studying the evolution of interstellar molecules is the lack of adequate knowledge of the rate coefficients of various reactions which take place in the ISM & molecular clouds. In order to obtain accurate final compositions in the ISM, we find out the rate coefficients for the formation of some of the most important interstellar pre-biotic molecules by using quantum chemical theory. We use these rates inside our hydro-chemical model to find out the chemical evolution and the final abundances of the pre-biotic species during the collapsing phase of a proto-star. We find that a significant amount of various pre-biotic molecules could be produced during the collapsing phase of a proto-star. We study extensively the formation of these molecules via successive neutral-neutral(NN) and radical-radical(RR)/radical-molecular(RM) reactions. We present the time evolution of the chemical species with an emphasis on how the production of these molecules varies with the depth of a cloud....

  9. Mathematical modeling a chemical engineer's perspective

    CERN Document Server

    Rutherford, Aris

    1999-01-01

    Mathematical modeling is the art and craft of building a system of equations that is both sufficiently complex to do justice to physical reality and sufficiently simple to give real insight into the situation. Mathematical Modeling: A Chemical Engineer's Perspective provides an elementary introduction to the craft by one of the century's most distinguished practitioners.Though the book is written from a chemical engineering viewpoint, the principles and pitfalls are common to all mathematical modeling of physical systems. Seventeen of the author's frequently cited papers are reprinted to illus

  10. Culinary evolution models for Indian cuisines

    CERN Document Server

    Jain, Anupam

    2015-01-01

    Culinary systems, the practice of preparing a refined combination of ingredients that is palatable as well as socially acceptable, are examples of complex dynamical systems. They evolve over time and are affected by a large number of factors. Modeling the dynamic nature of evolution of regional cuisines may provide us a quantitative basis and exhibit underlying processes that have driven them into the present day status. This is especially important given that the potential culinary space is practically infinite because of possible number of ingredient combinations as recipes. Such studies also provide a means to compare and contrast cuisines and to unearth their therapeutic value. Herein we provide rigorous analysis of modeling eight diverse Indian regional cuisines, while also highlighting their uniqueness, and a comparison among those models at the level of flavor compounds which opens up molecular level studies associating them especially with non-communicable diseases such as diabetes.

  11. Chemical Evolution in the Interstellar Medium: From Astrochemistry to Astrobiology

    Science.gov (United States)

    Allamandola, Louis J.

    2009-01-01

    Great strides have been made in our understanding of interstellar material thanks to advances in infrared astronomy and laboratory astrophysics. Ionized polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by earlier astrochemical standards, are widespread and very abundant throughout much of the Universe. In cold molecular clouds, the birthplace of planets and stars, interstellar molecules freeze onto dust and ice particles forming mixed molecular ices dominated by simple species such as water, methanol, ammonia, and carbon monoxide. Within these clouds, and especially in the vicinity of star and planet forming regions, these ices and PAHs are processed by ultraviolet light and cosmic rays forming hundreds of far more complex species, some of biogenic interest. Eventually, these are delivered to primordial planets by comets and meteorites. Astrochemical evolution, highlights of this field from a chemist's perspective, and the astronomer's infrared toolbox will be reviewed.

  12. Recent advances in chemical evolution and the origins of life

    Science.gov (United States)

    Oro, John; Lazcano, Antonio

    1992-01-01

    Consideration is given to the ideas of Oparin and Haldane who independently suggested more than 60 years ago that the first forms of life were anaerobic, heterotrophic bacteria that emerged as the result of a long period of chemical abiotic synthesis of organic compounds. It is suggested that at least some requirements for life are met in the Galaxy due to the cosmic abundance of carbon, nitrogen, oxygen, and other biogenic elements; the existence of extraterrestrial organic compounds; and the processes of stellar and interstellar planetary formation.

  13. On the Galactic chemical evolution of sulphur. Sulphur abundances from the [S i] 1082 nm line in giants

    CERN Document Server

    Matrozis, E; Dupree, A K

    2013-01-01

    Context. The Galactic chemical evolution of sulphur is still under debate. At low metallicities some studies find no correlation between [S/Fe] and [Fe/H], others find [S/Fe] increasing towards lower metallicities, and still others find a combination of the two. Each scenario has different implications for the Galactic chemical evolution of sulphur. Aims. To contribute to the discussion on the Galactic chemical evolution of sulphur by deriving sulphur abundances from non-LTE insensitive spectral diagnostics in Disk and Halo stars with homogeneously determined stellar parameters. Methods. We derive Teff from photometric colours, logg from stellar isochrones and Bayesian estimation, and [Fe/H] and [S/Fe] from spectrum synthesis. We derive [S/Fe] from the [S i] 1082 nm line in 39 mostly cool and metal-poor giants, using 1D LTE MARCS model atmospheres to model our high-resolution NIR spectra obtained with the VLT, NOT and Gemini South telescopes. Results. We derive homogeneous stellar parameters for 29 stars. Our...

  14. Merging binary black holes formed through chemically homogeneous evolution in short-period stellar binaries

    Science.gov (United States)

    Mandel, Ilya; de Mink, Selma E.

    2016-05-01

    We explore a newly proposed channel to create binary black holes of stellar origin. This scenario applies to massive, tight binaries where mixing induced by rotation and tides transports the products of hydrogen burning throughout the stellar envelopes. This slowly enriches the entire star with helium, preventing the build-up of an internal chemical gradient. The stars remain compact as they evolve nearly chemically homogeneously, eventually forming two black holes, which we estimate typically merge 4-11 Gyr after formation. Like other proposed channels, this evolutionary pathway suffers from significant theoretical uncertainties, but could be constrained in the near future by data from advanced ground-based gravitational-wave detectors. We perform Monte Carlo simulations of the expected merger rate over cosmic time to explore the implications and uncertainties. Our default model for this channel yields a local binary black hole merger rate of about 10 Gpc-3 yr-1 at redshift z = 0, peaking at twice this rate at z = 0.5. This means that this channel is competitive, in terms of expected rates, with the conventional formation scenarios that involve a common-envelope phase during isolated binary evolution or dynamical interaction in a dense cluster. The events from this channel may be distinguished by the preference for nearly equal-mass components and high masses, with typical total masses between 50 and 110 M⊙. Unlike the conventional isolated binary evolution scenario that involves shrinkage of the orbit during a common-envelope phase, short time delays are unlikely for this channel, implying that we do not expect mergers at high redshift.

  15. Chemical Evolution of Strongly Interacting Quark-Gluon Plasma

    Directory of Open Access Journals (Sweden)

    Ying-Hua Pan

    2014-01-01

    Full Text Available At very initial stage of relativistic heavy ion collisions a wave of quark-gluon matter is produced from the break-up of the strong color electric field and then thermalizes at a short time scale (~1 fm/c. However, the quark-gluon plasma (QGP system is far out of chemical equilibrium, especially for the heavy quarks which are supposed to reach chemical equilibrium much late. In this paper a continuing quark production picture for strongly interacting QGP system is derived, using the quark number susceptibilities and the equation of state; both of them are from the results calculated by the Wuppertal-Budapest lattice QCD collaboration. We find that the densities of light quarks increase by 75% from the temperature T=400 MeV to T=150 MeV, while the density of strange quark annihilates by 18% in the temperature region. We also offer a discussion on how this late production of quarks affects the final charge-charge correlations.

  16. Geologic and chemical evolution of volcan tepetiltic, Nayarit, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Deremer, L.A.; Nelson, S.A.

    1985-01-01

    Volcan Tepetiltic is located in the northwestern segment of the Mexican Volcanic Belt, about 40 km SW of the city of Tepic. The structure is a calc-alkaline stratovolcano composed primarily of andesite and dacite lava flows topped by an elliptical caldera measuring approximately 5 by 2.5 km. At least two cycles of andesite volcanism followed by rapid differentiation into volumetrically subordinate dacite flows and dikes built the majority of the complex. The second pulse of andesitic lavas were more basic than the first and appear to have been the result of reinjection of mafic magma into the shallow andesitic magma chamber. This was closely followed by the emplacement of two rhyolite domes and associated ash deposits on the eastern flank of the volcano. Finally, two small hornblende andesite domes were erupted on the floor of the caldera, and a lake formed in the northeastern corner of the caldera. Cinder cones on the flanks of the volcano have erupted alkaline lavas of mugearitic affinity. These are chemically unrelated to the calc-alkaline lavas erupted from Tepetiltic itself. The latest activity of Tepetiltic was the emplacement of a crystal rich rhyolite domes on the southern flank, which has blocked stream drainages to form a coulee lake. This last event has occurred within the last several thousand years. The rocks erupted from Tepetiltic form a chemically continuous suite which could have been derived through crystal fractionation of andesitic magma. No basic parental magmas, however, have erupted throughout the area.

  17. Modeling the Evolution of Incised Streams: III. Model Application

    Science.gov (United States)

    Incision and ensuing widening of alluvial stream channels is widespread in the midsouth and midwestern United States and represents an important form of channel adjustment. Two accompanying papers have presented a robust computational model for simulating the long-term evolution of incised and resto...

  18. Coupling Landform Evolution and Soil Pedogenesis - Initial Results From the SSSPAM5D Model

    Science.gov (United States)

    Willgoose, G. R.; Welivitiya, W. D. D. P.; Hancock, G. R.; Cohen, S.

    2015-12-01

    Evolution of soil on a dynamic landform is a crucial next step in landscape evolution modelling. Some attempts have been taken such as MILESD by Vanwalleghem et al. to develop a first model which is capable of simultaneously evolving both the soil profile and the landform. In previous work we have presented physically based models for soil pedogenesis, mARM and SSSPAM. In this study we present the results of coupling a landform evolution model with our SSSPAM5D soil pedogenesis model. In previous work the SSSPAM5D soil evolution model was used to identify trends of the soil profile evolution on a static landform. Two pedogenetic processes, namely (1) armouring due to erosion, and (2) physical and chemical weathering were used in those simulations to evolve the soil profile. By incorporating elevation changes (due to erosion and deposition) we have advanced the SSSPAM5D modelling framework into the realm of landscape evolution. Simulations have been run using elevation and soil grading data of the engineered landform (spoil heap) at the Ranger Uranium Mine, Northern Territory, Australia. The results obtained for the coupled landform-soil evolution simulations predict the erosion of high slope areas, development of rudimentary channel networks in the landform and deposition of sediments in lowland areas, and qualitatively consistent with landform evolution models on their own. Examination of the soil profile characteristics revealed that hill crests are weathering dominated and tend to develop a thick soil layer. The steeper hillslopes at the edge of the landform are erosion dominated with shallow soils while the foot slopes are deposition dominated with thick soil layers. The simulation results of our coupled landform and soil evolution model provide qualitatively correct and timely characterization of the soil evolution on a dynamic landscape. Finally we will compare the characteristics of erosion and deposition predicted by the coupled landform-soil SSSPAM

  19. The 1st Symposium on Chemical Evolution and the Origin and Evolution of Life

    Science.gov (United States)

    Devincenzi, D. L. (Editor); Pleasant, L. G. (Editor)

    1982-01-01

    This symposium provided an opportunity for all NASA Exobiology principal investigators to present their most recent research in a scientific meeting forum. Papers were presented in the following exobiology areas: extraterrestrial chemistry primitive earth, information transfer, solar system exploration, planetary protection, geological record, and early biological evolution.

  20. Radiative transfer modeling of surface chemical deposits

    Science.gov (United States)

    Reichardt, Thomas A.; Kulp, Thomas J.

    2016-05-01

    Remote detection of a surface-bound chemical relies on the recognition of a pattern, or "signature," that is distinct from the background. Such signatures are a function of a chemical's fundamental optical properties, but also depend upon its specific morphology. Importantly, the same chemical can exhibit vastly different signatures depending on the size of particles composing the deposit. We present a parameterized model to account for such morphological effects on surface-deposited chemical signatures. This model leverages computational tools developed within the planetary and atmospheric science communities, beginning with T-matrix and ray-tracing approaches for evaluating the scattering and extinction properties of individual particles based on their size and shape, and the complex refractive index of the material itself. These individual-particle properties then serve as input to the Ambartsumian invariant imbedding solution for the reflectance of a particulate surface composed of these particles. The inputs to the model include parameters associated with a functionalized form of the particle size distribution (PSD) as well as parameters associated with the particle packing density and surface roughness. The model is numerically inverted via Sandia's Dakota package, optimizing agreement between modeled and measured reflectance spectra, which we demonstrate on data acquired on five size-selected silica powders over the 4-16 μm wavelength range. Agreements between modeled and measured reflectance spectra are assessed, while the optimized PSDs resulting from the spectral fitting are then compared to PSD data acquired from independent particle size measurements.

  1. Genealogies in simple models of evolution

    Science.gov (United States)

    Brunet, Éric; Derrida, Bernard

    2013-01-01

    We review the statistical properties of the genealogies of a few models of evolution. In the asexual case, selection leads to coalescence times which grow logarithmically with the size of the population, in contrast with the linear growth of the neutral case. Moreover for a whole class of models, the statistics of the genealogies are those of the Bolthausen-Sznitman coalescent rather than the Kingman coalescent in the neutral case. For sexual reproduction in the neutral case, the time to reach the first common ancestors for the whole population and the time for all individuals to have all their ancestors in common are also logarithmic in the population size, as predicted by Chang in 1999. We discuss how these times are modified by introducing selection in a simple way.

  2. Using Transiting Planets to Model Starspot Evolution

    CERN Document Server

    Davenport, James R A; Hawley, Suzanne L

    2014-01-01

    Photometry from Kepler has revealed the presence of cool starspots on the surfaces of thousands of stars, presenting a wide range of spot morphologies and lifetimes. Understanding the lifetime and evolution of starspots across the main sequence reveals critical information about the strength and nature of stellar dynamos. We probe the dynamo by modeling the starspot properties over time using Kepler light curves. In particular, we use planetary systems like Kepler 17 that show in-transit starspot crossing features. Spot-occulting transits probe smaller-scale starspot features on the stellar surface along a fixed latitude region. Our approach is novel in modeling both the in- and out-of transit light curve features, allowing us to break fundamental degeneracies between spot size, latitude, and contrast. With continuous monitoring from Kepler we are able to observe small changes in the positions and sizes of spots from many transits, spanning 4 years of data. Additionally, for stars without transiting planets l...

  3. Mathematical models of ecology and evolution

    DEFF Research Database (Denmark)

    Zhang, Lai

    2012-01-01

    dynamics but as a trade-o promotes species survival by shortening juvenile delay between birth and the onset of reproduction. Paper II compares the size-spectrum and food-web representations of communities using two traits (body size and habitat location) based unstructured population model of Lotka......) based size-structured population model, that is, interference in foraging, maintenance, survival, and recruitment. Their impacts on the ecology and evolution of size-structured populations and communities are explored. Ecologically, interference aects population demographic properties either negatively...... or positively, depending on the balance between interference induced gain and cost. Evolutionarily, the maturation size is either depressed (interference in foraging and maintenance) or elevated (interference in survival and recruitment) in a monomorphic population environment. Moreover, among the four...

  4. The Dynamical and Chemical Evolution of Dwarf Spheroidal Galaxies

    CERN Document Server

    Revaz, Y; Sawala, T; Hill, V; Letarte, B; Irwin, M; Battaglia, G; Helmi, A; Shetrone, M D; Tolstoy, E; Venn, K A

    2009-01-01

    We present a large sample of fully self-consistent hydrodynamical Nbody/Tree-SPH simulations of isolated dwarf spheroidal galaxies (dSphs). It has enabled us to identify the key physical parameters and mechanisms at the origin of the observed variety in the Local Group dSph properties. The initial total mass (gas + dark matter) of these galaxies is the main driver of their evolution. Star formation (SF) occurs in series of short bursts. In massive systems, the very short intervals between the SF peaks mimic a continuous star formation rate, while less massive systems exhibit well separated SF bursts, as identified observationally. The delay between the SF events is controlled by the gas cooling time dependence on galaxy mass. The observed global scaling relations, luminosity-mass and luminosity-metallicity, are reproduced with low scatter. We take advantage of the unprecedentedly large sample size and data homogeneity of the ESO Large Programme DART, and add to it a few independent studies, to constrain the s...

  5. Thresholds on star formation and the chemical evolution of galactic discs cosmochronology and the age of the galaxy

    CERN Document Server

    Chamcham, K

    1995-01-01

    In this paper we analyse different chronometers based on the models of chemical evolution developed in Chamcham, Pitts \\& Tayler (1993; hereafter CPT) and Chamcham \\& Tayler (1994; hereafter CT). In those papers we discussed the ability of our models to reproduce the observed G-dwarf distribution in the solar neighbourhood, age-metallicity relation and radial chemical abundance gradients. We now examine their response to the predictions of cosmochronology. We use the recent production ratios of the actinide pairs ^{235}U/^{238}U and ^{232}Th/^{238}U provided by Cowan, Thielemann \\& Truran (1991) and the observed abundance ratios from Anders \\& Grevesse (1989) to determine the duration of nucleosynthesis in the solar neighbourhood, and thus to determine maximum likelihood estimates and confidence intervals for the infall parameter, \\beta, which controls the growth rate of the disc in our models. We compare our predictions for the age of the disc with the age of the galaxy estimated from models ...

  6. Chemical-reaction model for Mexican wave

    Science.gov (United States)

    Nagatani, Takashi

    2003-05-01

    We present a chemical-reaction model to describe the Mexican wave ( La Ola) in football stadia. The spectator's action is described in terms of chemical reactions. The model is governed by three reaction rates k 1, k 2, and k3. We study the nonlinear waves on one- and two-dimensional lattices. The Mexican wave is formulated as a clockwise forwardly propagating wave. Waves are growing or disappear, depending on the values of reaction rates. In the specific case of k1= k2= k3=1, the nonlinear-wave equation produces a propagating pulse like soliton.

  7. CHEMICAL COMPOSITION AND SOMATIC CELL EVOLUTION DURING LACTATION IN ROMANIAN BLACK AND WHITE COWS

    Directory of Open Access Journals (Sweden)

    L.T. CZISZTER

    2013-12-01

    Full Text Available The aim of the paper was to study the evolution of the chemical composition and somatic cell count during lactation in Romanian Black and White cows and effect of calving season on the shape of the lactation curve. Lactations form 125 multiparous cows were studied. Milk yield and sampling were carried out using the official performance control method A4. Milk was analyzed for composition in infrared spectrometry and for SCC using a viscosimeter. Results were modeled using Wood’s incomplete gamma function y=abxe(-cx, and season effect was assessed using ANOVA/MANOVA. A discussion was carried out regarding the shape of the lactation curves for milk yield, each milk component and SCC. The calving season had a significant effect (p<0.005 on the shape of the lactation curve for milk yield, milk chemical composition and milk somatic cell count. Summer calving cows had flatter lactation curves for milk yield and composition compared to winter calving cows. For somatic cell count spring calving cows had the flattest lactation curve while autumn calving cows has the steepest lactation curve.

  8. Evolution of species from Darwin theory: A simple model

    Science.gov (United States)

    Moret, M. A.; Pereira, H. B. B.; Monteiro, S. L.; Galeão, A. C.

    2012-04-01

    Evolution of species is a complex phenomenon. Some theoretical models take into account evolution of species, like the Bak-Sneppen model that obtain punctuated equilibrium from self-organized criticality and the Penna model for biological aging that consists in a bit-string model subjected to aging, reproduction and death. In this work we propose a simple model to study different scenarios used to simulate the evolution of species. This model is based on Darwin's ideas of evolution. The present findings show that punctuated equilibria and stasis seem to be obtained directly from the mutation, selection of parents and the genetic crossover, and are very close to the fossil data analysis.

  9. Chemical Evolution of Red MSX Sources in the Southern Sky

    Science.gov (United States)

    Yu, Naiping; Xu, Jinlong

    2016-12-01

    Red Midcourse Space Experiment (MSX) Sources (RMSs) are regarded as excellent candidates of massive star-forming regions. In order to characterize the chemical properties of massive star formation, we made a systematic study of 87 RMSs in the southern sky, using archival data taken from the Atacama Pathfinder Experiment Telescope Large Area Survey of the Galaxy (ATLASGAL), the Australia Telescope Compact Array, and the Millimetre Astronomy Legacy Team Survey at 90 GHz (MALT90). According to previous multiwavelength observations, our sample could be divided into two groups: massive young stellar objects and H ii regions. Combined with the MALT90 data, we calculated the column densities of N2H+, C2H, HC3N, and HNC and found that they are not much different from previous studies made in other massive star-forming regions. However, their abundances are relatively low compared to infrared dark clouds (IRDCs). The abundances of N2H+ and HNC in our sample are at least 1 mag lower than those found in IRDCs, indicating chemical depletions in the relatively hot gas. Besides, the fractional abundances of N2H+, C2H, and HC3N seem to decrease as a function of their Lyman continuum fluxes (N L ), indicating that these molecules could be destroyed by UV photons when H ii regions have formed inside. We also find that the C2H abundance decreases faster than HC3N with respect to N L . The abundance of HNC has a tight correlation with that of N2H+, indicating that it may be also preferentially formed in cold gas. We regard our RMSs as being in a relatively late evolutionary stage of massive star formation.

  10. Modeling Co-evolution of Speech and Biology.

    Science.gov (United States)

    de Boer, Bart

    2016-04-01

    Two computer simulations are investigated that model interaction of cultural evolution of language and biological evolution of adaptations to language. Both are agent-based models in which a population of agents imitates each other using realistic vowels. The agents evolve under selective pressure for good imitation. In one model, the evolution of the vocal tract is modeled; in the other, a cognitive mechanism for perceiving speech accurately is modeled. In both cases, biological adaptations to using and learning speech evolve, even though the system of speech sounds itself changes at a more rapid time scale than biological evolution. However, the fact that the available acoustic space is used maximally (a self-organized result of cultural evolution) is constant, and therefore biological evolution does have a stable target. This work shows that when cultural and biological traits are continuous, their co-evolution may lead to cognitive adaptations that are strong enough to detect empirically.

  11. Modelling stratospheric chemistry in a global three-dimensional chemical transport model

    Energy Technology Data Exchange (ETDEWEB)

    Rummukainen, M. [Finnish Meteorological Inst., Sodankylae (Finland). Sodankylae Observatory

    1995-12-31

    Numerical modelling of atmospheric chemistry aims to increase the understanding of the characteristics, the behavior and the evolution of atmospheric composition. These topics are of utmost importance in the study of climate change. The multitude of gases and particulates making up the atmosphere and the complicated interactions between them affect radiation transfer, atmospheric dynamics, and the impacts of anthropogenic and natural emissions. Chemical processes are fundamental factors in global warming, ozone depletion and atmospheric pollution problems in general. Much of the prevailing work on modelling stratospheric chemistry has so far been done with 1- and 2-dimensional models. Carrying an extensive chemistry parameterisation in a model with high spatial and temporal resolution is computationally heavy. Today, computers are becoming powerful enough to allow going over to 3-dimensional models. In order to concentrate on the chemistry, many Chemical Transport Models (CTM) are still run off-line, i.e. with precalculated and archived meteorology and radiation. In chemistry simulations, the archived values drive the model forward in time, without interacting with the chemical evolution. This is an approach that has been adopted in stratospheric chemistry modelling studies at the Finnish Meteorological Institute. In collaboration with the University of Oslo, a development project was initiated in 1993 to prepare a stratospheric chemistry parameterisation, fit for global 3-dimensional modelling. This article presents the parameterisation approach. Selected results are shown from basic photochemical simulations

  12. Chemical Kinetic Modeling of 2-Methylhexane Combustion

    KAUST Repository

    Mohamed, Samah Y.

    2015-03-30

    Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important for investigating the combustion behavior of diesel, gasoline, and aviation fuels. Improving the fidelity of existing kinetic models is a necessity, as new experiments and advanced theories show inaccuracy in certain portions of the models. This study focuses on updating thermodynamic data and kinetic model for a gasoline surrogate fuel, 2-methylhexane, with recently published group values and rate rules. These update provides a better agreement with rapid compression machine measurements of ignition delay time, while also strengthening the fundamental basis of the model.

  13. Nonequilibrium steady states in a model for prebiotic evolution

    Science.gov (United States)

    Wynveen, A.; Fedorov, I.; Halley, J. W.

    2014-02-01

    Some statistical features of steady states of a Kauffman-like model for prebiotic evolution are reported from computational studies. We postulate that the interesting "lifelike" states will be characterized by a nonequilibrium distribution of species and a time variable species self-correlation function. Selecting only such states from the population of final states produced by the model yields the probability of the appearance of such states as a function of a parameter p of the model. p is defined as the probability that a possible reaction in the the artificial chemistry actually appears in the network of chemical reactions. Small p corresponds to sparse networks utilizing a small fraction of the available reactions. We find that the probability of the appearance of such lifelike states exhibits a maximum as a function of p: at large p, most final states are in chemical equilibrium and hence are excluded by our criterion. At very small p, the sparseness of the network makes the probability of formation of any nontrivial dynamic final state low, yielding a low probability of production of lifelike states in this limit as well. We also report results on the diversity of the lifelike states (as defined here) that are produced. Repeated starts of the model evolution with different random number seeds in a given reaction network lead to final lifelike states which have a greater than random likelihood of resembling one another. Thus a form of "convergence" is observed. On the other hand, in different reaction networks with the same p, lifelike final states are statistically uncorrelated. In summary, the main results are (1) there is an optimal p or "sparseness" for production of lifelike states in our model—neither very dense nor very sparse networks are optimal—and (2) for a given p or sparseness, the resulting lifelike states can be extremely different. We discuss some possible implications for studies of the origin of life.

  14. Methods of information geometry in computational system biology (consistency between chemical and biological evolution).

    Science.gov (United States)

    Astakhov, Vadim

    2009-01-01

    Interest in simulation of large-scale metabolic networks, species development, and genesis of various diseases requires new simulation techniques to accommodate the high complexity of realistic biological networks. Information geometry and topological formalisms are proposed to analyze information processes. We analyze the complexity of large-scale biological networks as well as transition of the system functionality due to modification in the system architecture, system environment, and system components. The dynamic core model is developed. The term dynamic core is used to define a set of causally related network functions. Delocalization of dynamic core model provides a mathematical formalism to analyze migration of specific functions in biosystems which undergo structure transition induced by the environment. The term delocalization is used to describe these processes of migration. We constructed a holographic model with self-poetic dynamic cores which preserves functional properties under those transitions. Topological constraints such as Ricci flow and Pfaff dimension were found for statistical manifolds which represent biological networks. These constraints can provide insight on processes of degeneration and recovery which take place in large-scale networks. We would like to suggest that therapies which are able to effectively implement estimated constraints, will successfully adjust biological systems and recover altered functionality. Also, we mathematically formulate the hypothesis that there is a direct consistency between biological and chemical evolution. Any set of causal relations within a biological network has its dual reimplementation in the chemistry of the system environment.

  15. 3-D Simulations of the Chemical and Dynamical Evolution of the Galactic Bulge

    CERN Document Server

    Nakasato, N; Nakasato, Naohito; Nomoto, Ken'ichi

    2003-01-01

    A three-dimensional hydrodynamical N-body model for the formation of the Galaxy is presented with special attention to the formation of the bulge component. Starting with cosmologically motivated initial conditions, we obtain a qualitatively similar stellar system to the Galaxy. Then we analyze the chemical and kinematic properties of the bulge stars in our model and find qualitative agreement with observational data. The early evolution of our model has revealed that most bulge stars form during the sub-galactic merger (merger component of the bulge stars). Because of the strong star burst induced by the merger, the metallicity distribution function of such stars becomes as wide as observed. We find that another group of the bulge stars forms later in the inner region of the disk (non-merger component of the bulge stars). Because of the difference in the formation epoch, the main source of iron for this group of stars is different from the merger component. Iron in the merger and non-merger components comes ...

  16. Evolution of polymer photovoltaic performances from subtle chemical structure variations.

    Science.gov (United States)

    Yan, Han; Li, Denghua; Lu, Kun; Zhu, Xiangwei; Zhang, Yajie; Yang, Yanlian; Wei, Zhixiang

    2012-11-21

    Conjugated polymers are promising replacements for their inorganic counterparts in photovoltaics due to their low cost, ease of processing, and straightforward thin film formation. New materials have been able to improve the power conversion efficiency of photovoltaic cells up to 8%. However, rules for rational material design are still lacking, and subtle chemical structure variations usually result in large performance discrepancies. The present paper reports a detailed study on the crystalline structure, morphology, and in situ optoelectronic properties of blend films of polythiophene derivatives and [6,6]-phenyl C61-butyric acid methyl ester by changing the alkyl side chain length and position of polythiophene. The correlation among the molecular structure, mesoscopic morphology, mesoscopic optoelectronic property and macroscopic device performance (highest efficiency above 4%) was directly established. Both solubility and intermolecular interactions should be considered in rational molecular design. Knowledge obtained from this study can aid the selection of appropriate processing conditions that improve blend film morphology, charge transport property, and overall solar cell efficiency.

  17. The Migrating Embryo Model for Disk Evolution

    CERN Document Server

    Basu, Shantanu

    2012-01-01

    A new view of disk evolution is emerging from self-consistent numerical simulation modeling of the formation of circumstellar disks from the direct collapse of prestellar cloud cores. This has implications for many aspects of star and planet formation, including the growth of dust and high-temperature processing of materials. A defining result is that the early evolution of a disk is crucially affected by the continuing mass loading from the core envelope, and is driven into recurrent phases of gravitational instability. Nonlinear spiral arms formed during these episodes fragment to form gaseous clumps in the disk. These clumps generally migrate inward due to gravitational torques arising from their interaction with a trailing spiral arm. Occasionally, a clump can open up a gap in the disk and settle into a stable orbit, revealing a direct pathway to the formation of companion stars, brown dwarfs, or giant planets. At other times, when multiple clumps are present, a low mass clump may even be ejected from the...

  18. Features in chemical kinetics. I. Signatures of self-emerging dimensional reduction from a general format of the evolution law

    Science.gov (United States)

    Nicolini, Paolo; Frezzato, Diego

    2013-06-01

    Simplification of chemical kinetics description through dimensional reduction is particularly important to achieve an accurate numerical treatment of complex reacting systems, especially when stiff kinetics are considered and a comprehensive picture of the evolving system is required. To this aim several tools have been proposed in the past decades, such as sensitivity analysis, lumping approaches, and exploitation of time scales separation. In addition, there are methods based on the existence of the so-called slow manifolds, which are hyper-surfaces of lower dimension than the one of the whole phase-space and in whose neighborhood the slow evolution occurs after an initial fast transient. On the other hand, all tools contain to some extent a degree of subjectivity which seems to be irremovable. With reference to macroscopic and spatially homogeneous reacting systems under isothermal conditions, in this work we shall adopt a phenomenological approach to let self-emerge the dimensional reduction from the mathematical structure of the evolution law. By transforming the original system of polynomial differential equations, which describes the chemical evolution, into a universal quadratic format, and making a direct inspection of the high-order time-derivatives of the new dynamic variables, we then formulate a conjecture which leads to the concept of an "attractiveness" region in the phase-space where a well-defined state-dependent rate function ω has the simple evolution dot{ω }= - ω ^2 along any trajectory up to the stationary state. This constitutes, by itself, a drastic dimensional reduction from a system of N-dimensional equations (being N the number of chemical species) to a one-dimensional and universal evolution law for such a characteristic rate. Step-by-step numerical inspections on model kinetic schemes are presented. In the companion paper [P. Nicolini and D. Frezzato, J. Chem. Phys. 138, 234102 (2013)], 10.1063/1.4809593 this outcome will be naturally

  19. The dynamics of a coupled soilscape-landscape evolution model

    Science.gov (United States)

    Welivitiya, Dimuth; Willgoose, Garry; Hancock, Greg

    2016-04-01

    In this study we present results obtained from a landform evolution model coupled with SSSPAM5D soilscape evolution model. This presentation will show a number of computer animations with this coupled model using a range of widely accepted soil profile weathering models, and erosion/armouring models. The animations clearly show that subtle changes in process can result in dramatic changes in long-term equilibrium hillslope and soilscape form. We will discuss the reasons for these differences, arguing from the various mathematical and physical assumptions modelled, and infer how observed hillslope form may provide identifiable (and perhaps quantifiable) landform and soilscape signatures of landscape and soilscape process, and in particular the coupling between the landscape and the soilscape. Specifically we have simulated soilscapes using 3 depth dependent weathering functions: 1) Exponential, 2) Humped and 3) Reversed exponential. The Exponential weathering function simulates physical weathering due to thermal effects, and the weathering rate exponentially decreases with depth. The Humped function simulates chemical and/or physical weathering with moisture feedbacks, where the highest weathering rate is at a finite depth below the surface and exponentially declines with depth. The Reversed exponential function simulates chemical weathering, and the highest weathering rate is at the soil-saprolite interface and exponentially decreases both above and below the interface. Both the Humped and Reversed exponential functions can be used as approximations to chemical weathering as they can be derived analytically by solving widely accepted geochemical weathering equations. The Humped function can arise where the weathering fluid is introduced at the top of the soil profile (e.g. rainfall equilibrated with carbon dioxide in the atmosphere), while the Reversed exponential can be derived when carbon dioxide is generated within the profile (e.g. by biodegradation of soil

  20. Impact constraints on the environment for chemical evolution and the continuity of life

    Science.gov (United States)

    Oberbeck, Verne R.; Fogleman, Guy

    1990-03-01

    The Moon and the Earth were bombarded heavily by planetesimals and asteroids that were capable of interfering with chemical evolution and the origin of life. In this paper, we explore the frequency of giant terrestrial impacts able to stop prebiotic chemistry in the probable regions of chemical evolution. The limited time available between impacts disruptive to prebiotic chemistry at the time of the oldest evidence of life suggests the need for a rapid process for chemical evolution of life. The classical hypothesis for the origin of life through the slow accumulation of prebiotic reactants in the primordial soup in the entire ocean may not be consistent with constraints imposed by the impact history of Earth. On the other hand, rapid chemical evolution in cloud systems and lakes or other shallow evaporating water bodies would have been possible because reactants could have been concentrated and polymerized rapidly in this environment. Thus, life probably could have originated near the surface between frequent surface sterilizing impacts. There may not have been continuity of life depending on sunlight because there is evidence that life, existing as early as 3.8 Gyr ago, may have been destroyed by giant impacts. The first such organisms on Earth where probably not the ancestors of present life.

  1. The search for life's origins: Progress and future directions in planetary biology and chemical evolution

    Science.gov (United States)

    1990-01-01

    The current state is reviewed of the study of chemical evolution and planetary biology and the probable future is discussed of the field, at least for the near term. To this end, the report lists the goals and objectives of future research and makes detailed, comprehensive recommendations for accomplishing them, emphasizing those issues that were inadequately discussed in earlier Space Studies Board reports.

  2. Modelling Chemical Reasoning to Predict Reactions

    CERN Document Server

    Segler, Marwin H S

    2016-01-01

    The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180,000 randomly selected binary reactions. We show that our data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-) discovering novel transformations (even including transition-metal catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph, and because each single reaction prediction is typically ac...

  3. Impact of solar system exploration on theories of chemical evolution and the origin of life

    Science.gov (United States)

    Devincenzi, D. L.

    1983-01-01

    The impact of solar system exploration on theories regarding chemical evolution and the origin of life is examined in detail. Major findings from missions to Mercury, Venus, the moon, Mars, Jupiter, Saturn, and Titan are reviewed and implications for prebiotic chemistry are discussed. Among the major conclusions are: prebiotic chemistry is widespread throughout the solar system and universe; chemical evolution and the origin of life are intimately associated with the origin and evolution of the solar system; the rate, direction, and extent of prebiotic chemistry is highly dependent upon planetary characteristics; and continued exploration will increase understanding of how life originated on earth and allow better estimates of the likelihood of similar processes occurring elsewhere.

  4. Automata network models of galaxy evolution

    Science.gov (United States)

    Chappell, David; Scalo, John

    1993-01-01

    Two ideas appear frequently in theories of star formation and galaxy evolution: (1) star formation is nonlocally excitatory, stimulating star formation in neighboring regions by propagation of a dense fragmenting shell or the compression of preexisting clouds; and (2) star formation is nonlocally inhibitory, making H2 regions and explosions which can create low-density and/or high temperature regions and increase the macroscopic velocity dispersion of the cloudy gas. Since it is not possible, given the present state of hydrodynamic modeling, to estimate whether one of these effects greatly dominates the other, it is of interest to investigate the predicted spatial pattern of star formation and its temporal behavior in simple models which incorporate both effects in a controlled manner. The present work presents preliminary results of such a study which is based on lattice galaxy models with various types of nonlocal inhibitory and excitatory couplings of the local SFR to the gas density, temperature, and velocity field meant to model a number of theoretical suggestions.

  5. Modeling heterogeneous chemical processes on aerosol surface

    Institute of Scientific and Technical Information of China (English)

    Junjun Deng; Tijian Wang; Li Liu; Fei Jiang

    2010-01-01

    To explore the possible impact of heterogeneous chemical processes on atmospheric trace components,a coupled box model including gas-phase chemical processes,aerosol thermodynamic equilibrium processes,and heterogeneous chemical processes on the surface of dust,black carbon(BC)and sea salt is set up to simulate the effects of heterogeneous chemistry on the aerosol surface,and analyze the primary factors affecting the heterogeneous processes.Results indicate that heterogeneous chemical processes on the aerosol surface in the atmosphere will affect the concentrations of trace gases such as H2O2,HO2,O3,NO2,NO3,HNO3 and SO2,and aerosols such as SO42-,NO3-and NH4+.Sensitivity tests suggest that the magnitude of the impact of heterogeneous processes strongly depends on aerosol concentration and the surface uptake coefficients used in the box model.However,the impact of temperature on heterogeneous chemical processes is considerably less.The"renoxification"of HNO3 will affect the components of the troposphere such as nitrogen oxide and ozone.

  6. A 'Turing' Test for Landscape Evolution Models

    Science.gov (United States)

    Parsons, A. J.; Wise, S. M.; Wainwright, J.; Swift, D. A.

    2008-12-01

    Resolving the interactions among tectonics, climate and surface processes at long timescales has benefited from the development of computer models of landscape evolution. However, testing these Landscape Evolution Models (LEMs) has been piecemeal and partial. We argue that a more systematic approach is required. What is needed is a test that will establish how 'realistic' an LEM is and thus the extent to which its predictions may be trusted. We propose a test based upon the Turing Test of artificial intelligence as a way forward. In 1950 Alan Turing posed the question of whether a machine could think. Rather than attempt to address the question directly he proposed a test in which an interrogator asked questions of a person and a machine, with no means of telling which was which. If the machine's answer could not be distinguished from those of the human, the machine could be said to demonstrate artificial intelligence. By analogy, if an LEM cannot be distinguished from a real landscape it can be deemed to be realistic. The Turing test of intelligence is a test of the way in which a computer behaves. The analogy in the case of an LEM is that it should show realistic behaviour in terms of form and process, both at a given moment in time (punctual) and in the way both form and process evolve over time (dynamic). For some of these behaviours, tests already exist. For example there are numerous morphometric tests of punctual form and measurements of punctual process. The test discussed in this paper provides new ways of assessing dynamic behaviour of an LEM over realistically long timescales. However challenges remain in developing an appropriate suite of challenging tests, in applying these tests to current LEMs and in developing LEMs that pass them.

  7. A model for the evolution of nucleotide polymerase directionality.

    Directory of Open Access Journals (Sweden)

    Joshua Ballanco

    Full Text Available BACKGROUND: In all known living organisms, every enzyme that synthesizes nucleic acid polymers does so by adding nucleotide 5′-triphosphates to the 3′-hydroxyl group of the growing chain. This results in the well known 5'→3' directionality of all DNA and RNA Polymerases. The lack of any alternative mechanism, e.g. addition in a 3'→5' direction, may indicate a very early founder effect in the evolution of life, or it may be the result of a selective pressure against such an alternative. METHODOLOGY/PRINCIPAL FINDINGS: In an attempt to determine whether the lack of an alternative polymerase directionality is the result of a founder effect or evolutionary selection, we have constructed a basic model of early polymerase evolution. This model is informed by the essential chemical properties of the nucleotide polymerization reaction. With this model, we are able to simulate the growth of organisms with polymerases that synthesize either 5'→3' or 3'→5' in isolation or in competition with each other. CONCLUSIONS/SIGNIFICANCE: We have found that a competition between organisms with 5'→3' polymerases and 3'→5' polymerases only results in a evolutionarily stable strategy under certain conditions. Furthermore, we have found that mutations lead to a much clearer delineation between conditions that lead to a stable coexistence of these populations and conditions which ultimately lead to success for the 5'→3' form. In addition to presenting a plausible explanation for the uniqueness of enzymatic polymerization reactions, we hope these results also provide an example of how whole organism evolution can be understood based on molecular details.

  8. Can Galactic chemical evolution explain the oxygen isotopic variations in the Solar System?

    CERN Document Server

    Lugaro, Maria; Ireland, Trevor R; Maddison, Sarah T

    2012-01-01

    A number of objects in primitive meteorites have oxygen isotopic compositions that place them on a distinct, mass-independent fractionation line with a slope of one on a three-isotope plot. The most popular model for describing how this fractionation arose assumes that CO self-shielding produced 16O-rich CO and 16O-poor H2O, where the H2O subsequently combined with interstellar dust to form relatively 16O-poor solids within the Solar Nebula. Another model for creating the different reservoirs of 16O-rich gas and 16O-poor solids suggests that these reservoirs were produced by Galactic chemical evolution (GCE) if the Solar System dust component was somewhat younger than the gas component and both components were lying on the line of slope one in the O three-isotope plot. We argue that GCE is not the cause of mass-independent fractionation of the oxygen isotopes in the Solar System. The GCE scenario is in contradiction with observations of the 18O/17O ratios in nearby molecular clouds and young stellar objects. ...

  9. THERMAL AND CHEMICAL EVOLUTIONS OF GALAXY CLUSTERS OBSERVED WITH SUZAKU

    Directory of Open Access Journals (Sweden)

    Kosuke Sato

    2013-12-01

    Full Text Available We studied the properties of the intracluster medium (ICM of galaxy clusters to outer regions observed with Suzaku. The observed temperature dropped by about ~30% from the central region to the virial radius of the clusters. The derived entropy profile agreed with the expectation from simulations within r500, while the entropy profile in r > r500 indicated a flatter slope than the simulations. This would suggest that the cluster outskirts were out of hydrostatic equilibrium. As for the metallicity, we studied the metal abundances from O to Fe up to ~0.5 times the virial radius of galaxy groups and clusters. Comparing the results with supernova nucleosynthesis models, the number ratio of type II to Ia supernovae is estimated to be ~3.5. We also calculated not only Fe, but also O and Mg mass-to-light ratios (MLRs with K-band luminosity. The MLRs in the clusters had a similar feature.

  10. The Diversity of Chemical Composition and the Effects on Stellar Evolution and Planetary Habitability

    Science.gov (United States)

    Truitt, Amanda; Young, Patrick A.

    2017-01-01

    For my dissertation under the supervision of Dr. Young, I investigate how stars of different mass and composition evolve, and how stellar evolution impacts the location of the habitable zone around a star. Current research into habitability of exoplanets focuses mostly on the concept of the classical HZ - the range of distances from a star over which liquid water could exist on a planet's surface - determined primarily by the host star's luminosity and spectral characteristics. With the ever-accelerating discovery of new exoplanets, it is imperative to develop a more complete understanding of what factors play a role in creating the “habitable” conditions of a planet. I discuss how stellar evolution is integral to how we define a HZ, and how this work will apply to the search for habitable Earth-like planets in the future.I developed a catalog of stellar evolution models for Sun-like stars with variable compositions; masses range from 0.1-1.2 Msol (spectral types M4-F4) at scaled metallicities of 0.1-1.5 Zsol, and O/Fe, C/Fe, and Mg/Fe values of 0.44-2.28, 0.58-1.72, and 0.54-1.84, respectively. I use a spread in abundance values based on observations of variability in nearby stars. It is important to understand how specific elements (and not just total metallicity) can impact evolutionary lifetime. The time-dependent HZ boundaries have also been calculated for each stellar track. Additionally, I recently created a grid of models for M-dwarfs, and I am currently working to make preliminary estimates of stellar activity vs. age for each representative star in the catalog.My results indicate that to gauge the habitability potential of a given system, both the evolutionary history as well as the detailed chemical characterization of the host star must be considered. This work can be used to assess whether a planet discovered in the HZ of its star has had sufficient time to develop a biosphere capable of producing detectable biosignatures. The catalog is designed

  11. Testing AGN feedback models in galaxy evolution

    Science.gov (United States)

    Shin, Min-Su

    Galaxy formation and evolution have been one of the most challenging problems in astrophysics. A single galaxy has various components (stars, atomic and molecular gas, a supermassive black hole, and dark matter) and has interacted with its cosmic environment throughout its history. A key issue in understanding galaxy evolution is to find the dominant physical processes in the interactions between the components of a galaxy and between a galaxy and its environment. AGN feedback has been proposed as a key process to suppress late star formation in massive elliptical galaxies and as a general consequence of galaxy mergers and interactions. In this thesis, I investigate feedback effects from active galactic nuclei (AGN) using a new simulation code and data from the Sloan Digital Sky Survey. In the first chapter, I test purely mechanical AGN feedback models via a nuclear wind around the central SMBH in elliptical galaxies by comparing simulation results to four well-defined observational constraints: the mass ratio between the SMBH and its host galaxy, the lifetime of the quasar phase, the X-ray luminosity from the hot interstellar medium, and the mass fraction of young stars. Even though purely mechanical AGN feedback is commonly assumed in cosmological simulations, I find that it is inadequate, and cannot reproduce all four observational constraints simultaneously. This result suggests that both mechanical and radiative feedback modes are important physical processes. In the second chapter, I simulate the coevolution of the SMBH and its host galaxy under different environments, represented by different amounts of gas stripping. Though the connection between environment and galaxy evolution has been well-studied, environmental effects on the growth of the SMBH have not been answered yet. I find that strong gas stripping, which satellite galaxies might experience, highly suppresses SMBH mass accretion and AGN activity. Moreover, the suppression of the SMBH growth is

  12. Models and Modelling Tools for Chemical Product and Process Design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    2016-01-01

    The design, development and reliability of a chemical product and the process to manufacture it, need to be consistent with the end-use characteristics of the desired product. One of the common ways to match the desired product-process characteristics is through trial and error based experiments......-based framework is that in the design, development and/or manufacturing of a chemical product-process, the knowledge of the applied phenomena together with the product-process design details can be provided with diverse degrees of abstractions and details. This would allow the experimental resources......, are the needed models for such a framework available? Or, are modelling tools that can help to develop the needed models available? Can such a model-based framework provide the needed model-based work-flows matching the requirements of the specific chemical product-process design problems? What types of models...

  13. Chemical evolution and the origin of life: cumulative keyword subject index 1970-1986

    Science.gov (United States)

    Roy, A. C.; Powers, J. V.; Rummel, J. D. (Principal Investigator)

    1990-01-01

    This cumulative subject index encompasses the subject indexes of the bibliographies on Chemical Evolution and the Origin of Life that were first published in 1970 and have continued through publication of the 1986 bibliography supplement. Early bibliographies focused on experimental and theoretical material dealing directly with the concepts of chemical evolution and the origin of life, excluding the broader areas of exobiology, biological evolution, and geochemistry. In recent years, these broader subject areas have also been incorporated as they appear in literature searches relating to chemical evolution and the origin of life, although direct attempts have not been made to compile all of the citations in these broad areas. The keyword subject indexes have also undergone an analogous change in scope. Compilers of earlier bibliographies used the most specific term available in producing the subject index. Compilers of recent bibliographies have used a number of broad terms relating to the overall subject content of each citation and specific terms where appropriate. The subject indexes of these 17 bibliographies have, in general, been cumulatively compiled exactly as they originally appeared. However, some changes have been made in an attempt to correct errors, combine terms, and provide more meaningful terms.

  14. Multidimensional chemical modelling, II. Irradiated outflow walls

    CERN Document Server

    Bruderer, Simon; Doty, Steven D; van Dishoeck, Ewine F; Bourke, Tyler L

    2009-01-01

    Observations of the high-mass star forming region AFGL 2591 reveal a large abundance of CO+, a molecule known to be enhanced by far UV (FUV) and X-ray irradiation. In chemical models assuming a spherically symmetric envelope, the volume of gas irradiated by protostellar FUV radiation is very small due to the high extinction by dust. The abundance of CO+ is thus underpredicted by orders of magnitude. In a more realistic model, FUV photons can escape through an outflow region and irradiate gas at the border to the envelope. Thus, we introduce the first 2D axi-symmetric chemical model of the envelope of a high-mass star forming region to explain the CO+ observations as a prototypical FUV tracer. The model assumes an axi-symmetric power-law density structure with a cavity due to the outflow. The local FUV flux is calculated by a Monte Carlo radiative transfer code taking scattering on dust into account. A grid of precalculated chemical abundances, introduced in the first part of this series of papers, is used to ...

  15. Modeling Dynamic Evolution of Online Friendship Network

    Institute of Scientific and Technical Information of China (English)

    吴联仁; 闫强

    2012-01-01

    In this paper,we study the dynamic evolution of friendship network in SNS (Social Networking Site).Our analysis suggests that an individual joining a community depends not only on the number of friends he or she has within the community,but also on the friendship network generated by those friends.In addition,we propose a model which is based on two processes:first,connecting nearest neighbors;second,strength driven attachment mechanism.The model reflects two facts:first,in the social network it is a universal phenomenon that two nodes are connected when they have at least one common neighbor;second,new nodes connect more likely to nodes which have larger weights and interactions,a phenomenon called strength driven attachment (also called weight driven attachment).From the simulation results,we find that degree distribution P(k),strength distribution P(s),and degree-strength correlation are all consistent with empirical data.

  16. Limited Influence of Oxygen on the Evolution of Chemical Diversity in Metabolic Networks

    Directory of Open Access Journals (Sweden)

    Kazuhiro Takemoto

    2013-10-01

    Full Text Available Oxygen is thought to promote species and biomolecule diversity. Previous studies have suggested that oxygen expands metabolic networks by acquiring metabolites with different chemical properties (higher hydrophobicity, for example. However, such conclusions are typically based on biased evaluation, and are therefore non-conclusive. Thus, we re-investigated the effect of oxygen on metabolic evolution using a phylogenetic comparative method and metadata analysis to reduce the bias as much as possible. Notably, we found no difference in metabolic network expansion between aerobes and anaerobes when evaluating phylogenetic relationships. Furthermore, we showed that previous studies have overestimated or underestimated the degrees of differences in the chemical properties (e.g., hydrophobicity between oxic and anoxic metabolites in metabolic networks of unicellular organisms; however, such overestimation was not observed when considering the metabolic networks of multicellular organisms. These findings indicate that the contribution of oxygen to increased chemical diversity in metabolic networks is lower than previously thought; rather, phylogenetic signals and cell-cell communication result in increased chemical diversity. However, this conclusion does not contradict the effect of oxygen on metabolic evolution; instead, it provides a deeper understanding of how oxygen contributes to metabolic evolution despite several limitations in data analysis methods.

  17. A grand model for chemical product design

    DEFF Research Database (Denmark)

    Fung, Ka Y.; Ng, Ka M.; Zhang, Lei;

    2016-01-01

    Chemical engineering has been expanding its focus from primarily business-to-business products (B2B) to business-to-consumer (B2C) products. The production of B2B products generally emphasizes on process design and optimization, whereas the production of B2C products focuses on product quality......, ingredients and structure. Market and competitive analysis, government policies and regulations have to be explicitly considered in product design. All these considerations are accounted for in the Grand Product Design Model, which consists of a process model, a property model, a quality model, a cost model...... product composition changes with market conditions. Another is a hand lotion that illustrates how product quality affects the profit.(C) 2016 Elsevier Ltd. All rights reserved....

  18. Regimes of chemical reaction waves initiated by nonuniform initial conditions for detailed chemical reaction models.

    Science.gov (United States)

    Liberman, M A; Kiverin, A D; Ivanov, M F

    2012-05-01

    Regimes of chemical reaction wave propagation initiated by initial temperature nonuniformity in gaseous mixtures, whose chemistry is governed by chain-branching kinetics, are studied using a multispecies transport model and a detailed chemical model. Possible regimes of reaction wave propagation are identified for stoichiometric hydrogen-oxygen and hydrogen-air mixtures in a wide range of initial pressures and temperature levels, depending on the initial non-uniformity steepness. The limits of the regimes of reaction wave propagation depend upon the values of the spontaneous wave speed and the characteristic velocities of the problem. It is shown that one-step kinetics cannot reproduce either quantitative neither qualitative features of the ignition process in real gaseous mixtures because the difference between the induction time and the time when the exothermic reaction begins significantly affects the ignition, evolution, and coupling of the spontaneous reaction wave and the pressure wave, especially at lower temperatures. We show that all the regimes initiated by the temperature gradient occur for much shallower temperature gradients than predicted by a one-step model. The difference is very large for lower initial pressures and for slowly reacting mixtures. In this way the paper provides an answer to questions, important in practice, about the ignition energy, its distribution, and the scale of the initial nonuniformity required for ignition in one or another regime of combustion wave propagation.

  19. The Effects of Cluster Environment on the Chemical Evolution of Galaxies

    Science.gov (United States)

    Pilyugin, L. S.; Ferrini, F.

    The values of oxygen deficiency have been derived for nine Virgo cluster spiral galaxies from the sample of Skillman et al (1996) which ranges from HI deficient spirals (three galaxies near the center of cluster) to spirals with normal HI contents (three galaxies at the periphery of cluster). The chemical properties of Virgo cluster spiral galaxies have been compared with chemical properties of field spiral galaxies considered by Pilyugin and Ferrini (1998). It has been found that the sample of spirals at the periphery of the cluster is a mixture of objects without, with moderate, and with significant oxygen abundance deficiency. It confirms the conclusion of Skillman et al (1996) that spirals at the periphery of the cluster are indistinguishable from field galaxies. All the spirals near the center of the cluster, within the limited sample here considered, have no oxygen deficiency, and are more advanced in evolution than spirals at the periphery of the cluster or than field spirals. These facts can be considered as a hint that, in the case of spiral galaxies near the center of a cluster, the cluster environment inhibits gas exchange between the galaxy and its surroundings at the present epoch and can slightly enhance the efficiency of star formation. The positions of Virgo spirals without oxygen abundance deficiency in the gas mass fraction μ -- O/H diagram agree closely with the positions of field spiral galaxies without oxygen abundance deficiency and are in agreement with the location of one-zone closed-box models. This is strong evidence in favour that the oxygen yield (or, in consequence, the initial mass function) in cluster spiral galaxies does not differ from that in spiral galaxies in the field.

  20. Integrating Geochemical and Geodynamic Numerical Models of Mantle Evolution and Plate Tectonics

    Science.gov (United States)

    Tackley, P. J.; Xie, S.

    2001-12-01

    The thermal and chemical evolution of Earth's mantle and plates are inextricably coupled by the plate tectonic - mantle convective system. Convection causes chemical differentiation, recycling and mixing, while chemical variations affect the convection through physical properties such as density and viscosity which depend on composition. It is now possible to construct numerical mantle convection models that track the thermo-chemical evolution of major and minor elements, and which can be used to test prospective models and hypotheses regarding Earth's chemical and thermal evolution. Model thermal and chemical structures can be compared to results from seismic tomography, while geochemical signatures (e.g., trace element ratios) can be compared to geochemical observations. The presented, two-dimensional model combines a simplified 2-component major element model with tracking of the most important trace elements, using a tracer method. Melting is self-consistently treated using a solidus, with melt placed on the surface as crust. Partitioning of trace elements occurs between melt and residue. Decaying heat-producing elements and secular cooling of the mantle and core provide the driving heat sources. Pseudo-plastic yielding of the lithosphere gives a first-order approximation of plate tectonics, and also allows planets with a rigid lid or intermittent plate tectonics to be modeled simply by increasing the yield strength. Preliminary models with an initially homogeneous mantle show that regions with a HIMU-like signature can be generated by crustal recycling, and regions with high 3He/4He ratios can be generated by residuum recycling. Outgassing of Argon is within the observed range. Models with initially layered mantles will also be investigated. In future it will be important to include a more realistic bulk compositional model that allows continental crust as well as oceanic crust to form, and to extend the model to three dimensions since toroidal flow may alter

  1. Modeling evolution using the probability of fixation: history and implications.

    Science.gov (United States)

    McCandlish, David M; Stoltzfus, Arlin

    2014-09-01

    Many models of evolution calculate the rate of evolution by multiplying the rate at which new mutations originate within a population by a probability of fixation. Here we review the historical origins, contemporary applications, and evolutionary implications of these "origin-fixation" models, which are widely used in evolutionary genetics, molecular evolution, and phylogenetics. Origin-fixation models were first introduced in 1969, in association with an emerging view of "molecular" evolution. Early origin-fixation models were used to calculate an instantaneous rate of evolution across a large number of independently evolving loci; in the 1980s and 1990s, a second wave of origin-fixation models emerged to address a sequence of fixation events at a single locus. Although origin fixation models have been applied to a broad array of problems in contemporary evolutionary research, their rise in popularity has not been accompanied by an increased appreciation of their restrictive assumptions or their distinctive implications. We argue that origin-fixation models constitute a coherent theory of mutation-limited evolution that contrasts sharply with theories of evolution that rely on the presence of standing genetic variation. A major unsolved question in evolutionary biology is the degree to which these models provide an accurate approximation of evolution in natural populations.

  2. Early Star Formation, Nucleosynthesis, and Chemical Evolution in Proto-Galactic Clouds

    CERN Document Server

    Saleh, L; Mathews, G J

    2006-01-01

    We present numerical simulations to describe the nucleosynthesis and evolution of pre-Galactic clouds in a model which is motivated by cold dark matter simulations of hierarchical galaxy formation. We adopt a SN-induced star-formation mechanism and follow the chemical enrichment and energy input by Type II and Type Ia SNe. We utilize metallicity-dependent yields and include finite stellar lifetimes. We derive the metallicity distribution functions, the age-metallicity relation, and relative elemental abundances for a number of alpha- and Fe-group elements. We find that the dispersion of the metallicity distribution function of the outer halo is reproduced by contributions from clouds with different initial conditions. Clouds with initial masses greater than that of present globular clusters are found to survive the first 0.1 Gyr, suggesting that such systems may have contributed to the formation of the first stars, and could have been self-enriched. More massive clouds are only stable when one assumes an init...

  3. Solving chemical dynamic optimization problems with ranking-based differential evolution algorithms

    Institute of Scientific and Technical Information of China (English)

    Xu Chen; Wenli Du; Feng Qian

    2016-01-01

    Dynamic optimization problems (DOPs) described by differential equations are often encountered in chemical engineering. Deterministic techniques based on mathematic programming become invalid when the models are non-differentiable or explicit mathematical descriptions do not exist. Recently, evolutionary algorithms are gaining popularity for DOPs as they can be used as robust alternatives when the deterministic techniques are in-valid. In this article, a technology named ranking-based mutation operator (RMO) is presented to enhance the previous differential evolution (DE) algorithms to solve DOPs using control vector parameterization. In the RMO, better individuals have higher probabilities to produce offspring, which is helpful for the performance enhancement of DE algorithms. Three DE-RMO algorithms are designed by incorporating the RMO. The three DE-RMO algorithms and their three original DE algorithms are applied to solve four constrained DOPs from the literature. Our simulation results indicate that DE-RMO algorithms exhibit better performance than previous non-ranking DE algorithms and other four evolutionary algorithms.

  4. Ultrafaint dwarfs—star formation and chemical evolution in the smallest galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Webster, David; Bland-Hawthorn, Joss [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 2006 (Australia); Sutherland, Ralph, E-mail: d.webster@physics.usyd.edu.au [Research School of Astronomy and Astrophysics, Australian National University, Cotter Road, Weston, ACT 2611 (Australia)

    2014-11-20

    In earlier work, we showed that a dark matter halo with a virial mass of 10{sup 7} M {sub ☉} can retain a major part of its baryons in the face of the pre-ionization phase and supernova (SN) explosion from a 25 M {sub ☉} star. Here, we expand on the results of that work, investigating the star formation and chemical evolution of the system beyond the first SN. In a galaxy with a mass M {sub vir} = 10{sup 7} M {sub ☉}, sufficient gas is retained by the potential for a second period of star formation to occur. The impact of a central explosion is found to be much stronger than that of an off-center explosion both in blowing out the gas and in enriching it, as in the off-center case most of the SN energy and metals escape into the intergalactic medium. We model the star formation and metallicity, given the assumption that stars form for 100, 200, 400, and 600 Myr, and discuss the results in the context of recent observations of very low-mass galaxies. We show that we can account for most features of the observed relationship between [α/Fe] and [Fe/H] in ultra-faint dwarf galaxies with the assumption that the systems formed at a low mass, rather than being remnants of much larger systems.

  5. 3 Lectures: "Lagrangian Models", "Numerical Transport Schemes", and "Chemical and Transport Models"

    Science.gov (United States)

    Douglass, A.

    2005-01-01

    The topics for the three lectures for the Canadian Summer School are Lagrangian Models, numerical transport schemes, and chemical and transport models. In the first lecture I will explain the basic components of the Lagrangian model (a trajectory code and a photochemical code), the difficulties in using such a model (initialization) and show some applications in interpretation of aircraft and satellite data. If time permits I will show some results concerning inverse modeling which is being used to evaluate sources of tropospheric pollutants. In the second lecture I will discuss one of the core components of any grid point model, the numerical transport scheme. I will explain the basics of shock capturing schemes, and performance criteria. I will include an example of the importance of horizontal resolution to polar processes. We have learned from NASA's global modeling initiative that horizontal resolution matters for predictions of the future evolution of the ozone hole. The numerical scheme will be evaluated using performance metrics based on satellite observations of long-lived tracers. The final lecture will discuss the evolution of chemical transport models over the last decade. Some of the problems with assimilated winds will be demonstrated, using satellite data to evaluate the simulations.

  6. Thermal, chemical, and mechanical cookoff modeling

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L.; Baer, M.R.; Gross, R.J.

    1994-08-01

    A Thermally Reactive, Elastic-plastic eXplosive code, TREX, has been developed to analyze coupled thermal, chemical and mechanical effects associated with cookoff simulation of confined or unconfined energetic materials. In confined systems, pressure buildup precedes thermal runaway, and unconfined energetic material expands to relieve high stress. The model was developed based on nucleation, decomposition chemistry, and elastic/plastic mechanical behavior of a material with a distribution of internal defects represented as clusters of spherical inclusions. A local force balance, with mass continuity constraints, forms the basis of the model requiring input of temperature and reacted gas fraction. This constitutive material model has been incorporated into a quasistatic mechanics code SANTOS as a material module which predicts stress history associated with a given strain history. The thermal-chemical solver XCHEM has been coupled to SANTOS to provide temperature and reacted gas fraction. Predicted spatial history variables include temperature, chemical species, solid/gas pressure, solid/gas density, local yield stress, and gas volume fraction. One-Dimensional Time to explosion (ODTX) experiments for TATB and PBX 9404 (HMX and NC) are simulated using global multistep kinetic mechanisms and the reactive elastic-plastic constitutive model. Pressure explosions, rather than thermal runaway, result in modeling slow cookoff experiments of confined conventional energetic materials such as TATB. For PBX 9404, pressure explosions also occur at fast cookoff conditions because of low temperature reactions of nitrocellulose resulting in substantial pressurization. A demonstrative calculation is also presented for reactive heat flow in a hollow, propellant-filled, stainless steel cylinder, representing a rocket motor. This example simulation show

  7. The effect of intermediate mass close binaries on the chemical evolution of Globular Clusters II

    CERN Document Server

    Mennekens, N; De Greve, J P

    2013-01-01

    The chemical processes during the Asymptotic Giant Branch (AGB) evolution of intermediate mass single stars predict most of the observations of the different populations in Globular Clusters although some important issues still need to be further clarified. In particular, to reproduce the observed anticorrelations of Na-O and Al-Mg, chemically enriched gas lost during the AGB phase of intermediate mass single stars must be mixed with matter with a pristine chemical composition. The source of this matter is still a matter of debate. Furthermore, observations reveal that a significant fraction of the intermediate mass and massive stars are born as components of close binaries. We will investigate the effects of binaries on the chemical evolution of Globular Clusters and on the origin of matter with a pristine chemical composition that is needed for the single star AGB scenario to work. We use a population synthesis code that accounts for binary physics in order to estimate the amount and the composition of the ...

  8. The Chemical Evolution of Narrow Emission Line Galaxies: the Key to their Formation Processes

    CERN Document Server

    Torres-Papaqui, J P; Ortega-Minakata, R A

    2011-01-01

    Using the largest sample of narrow emission line galaxies available so far, we show that their spectral characteristics are correlated with different physical parameters, like the chemical abundances, the morphologies, the masses of the bulge and the mean stellar age of the stellar populations of the host galaxies. It suggests that the spectral variations observed in standard spectroscopic diagnostic diagrams are not due solely to variations of ionization parameters or structures but reflect also the chemical evolution of the galaxies, which in turn can be explained by different galaxy formation processes.

  9. The possible roles of water in the prebiotic chemical evolution of DNA.

    Science.gov (United States)

    Cui, Shuxun

    2010-09-21

    There is no doubt that water is pivotal to life. Yet, as the emergence of life is still a big challenge in science, the detailed involvement of water in that process is not well recognized. Following the clues provided by recent single-molecule studies on DNA, we attempt to elucidate the possible roles of water in the prebiotic chemical evolution. Water has long been recognized as an important reactant in the Miller-Urey experiment and then as the only solvent of the primitive soup. Besides that, water also played a vital role in the prebiotic chemical evolution: water is the important criterion in the combinatorial library screening for self-assembling macromolecules. With this notion, the uniformity of biochemistry for all terrestrial life may be explained. A possible roadmap from the inorganic world to the origin of life is also discussed.

  10. Evolution of Black-Box Models Based on Volterra Series

    Directory of Open Access Journals (Sweden)

    Daniel D. Silveira

    2015-01-01

    Full Text Available This paper presents a historical review of the many behavioral models actually used to model radio frequency power amplifiers and a new classification of these behavioral models. It also discusses the evolution of these models, from a single polynomial to multirate Volterra models, presenting equations and estimation methods. New trends in RF power amplifier behavioral modeling are suggested.

  11. Quantitative Modeling of Landscape Evolution, Treatise on Geomorphology

    NARCIS (Netherlands)

    Temme, A.J.A.M.; Schoorl, J.M.; Claessens, L.F.G.; Veldkamp, A.; Shroder, F.S.

    2013-01-01

    This chapter reviews quantitative modeling of landscape evolution – which means that not just model studies but also modeling concepts are discussed. Quantitative modeling is contrasted with conceptual or physical modeling, and four categories of model studies are presented. Procedural studies focus

  12. Scaling Theory and Modeling of DNA Evolution

    Science.gov (United States)

    Buldyrev, Sergey V.

    1998-03-01

    We present evidence supporting the possibility that the nucleotide sequence in noncoding DNA is power-law correlated. We do not find such long-range correlation in the coding regions of the gene, so we build a ``coding sequence finder'' to locate the coding regions of an unknown DNA sequence. We also propose a different coding sequence finding algorithm, based on the concept of mutual information(I. Große, S. V. Buldyrev, H. Herzel, H. E. Stanley, (preprint).). We describe our recent work on quantification of DNA patchiness, using long-range correlation measures (G. M. Viswanathan, S. V. Buldyrev, S. Havlin, and H. E. Stanley, Biophysical Journal 72), 866-875 (1997).. We also present our recent study of the simple repeat length distributions. We find that the distributions of some simple repeats in noncoding DNA have long power-law tails, while in coding DNA all simple repeat distributions decay exponentially. (N. V. Dokholyan, S. V. Buldyrev, S. Havlin, and H. E. Stanley, Phys. Rev. Lett (in press).) We discuss several models based on insertion-deletion and mutation-duplication mechanisms that relate long-range correlations in non-coding DNA to DNA evolution. Specifically, we relate long-range correlations in non-coding DNA to simple repeat expansion, and propose an evolutionary model that reproduces the power law distribution of simple repeat lengths. We argue that the absence of long-range correlations in protein coding sequences is related to their highly conserved primary structure which is necessary to insure protein folding.

  13. Recent Advances in Shell Evolution with Shell-Model Calculations

    CERN Document Server

    Utsuno, Yutaka; Tsunoda, Yusuke; Shimizu, Noritaka; Honma, Michio; Togashi, Tomoaki; Mizusaki, Takahiro

    2014-01-01

    Shell evolution in exotic nuclei is investigated with large-scale shell-model calculations. After presenting that the central and tensor forces produce distinctive ways of shell evolution, we show several recent results: (i) evolution of single-particle-like levels in antimony and cupper isotopes, (ii) shape coexistence in nickel isotopes understood in terms of configuration-dependent shell structure, and (iii) prediction of the evolution of the recently established $N=34$ magic number towards smaller proton numbers. In any case, large-scale shell-model calculations play indispensable roles in describing the interplay between single-particle character and correlation.

  14. NUCLEOSYNTHESIS AND THE INHOMOGENEOUS CHEMICAL EVOLUTION OF THE CARINA DWARF GALAXY

    Energy Technology Data Exchange (ETDEWEB)

    Venn, Kim A.; Divell, Mike [Department of Physics and Astronomy, University of Victoria, 3800 Finnerty Road, Victoria, BC V8P 1A1 (Canada); Shetrone, Matthew D. [McDonald Observatory, University of Texas at Austin, HC75 Box 1337-McD, Fort Davis, TX 79734 (United States); Irwin, Mike J. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB03 0HA (United Kingdom); Hill, Vanessa [Laboratoire Cassiopee UMR 6202, Universite de Nice Sophia-Antipolis, CNRS, Observatoire de la Cote d' Azur (France); Jablonka, Pascale [GEPI, Observatoire de Paris, CNRS UMR 8111, Universite Paris Diderot, F-92125, Meudon, Cedex (France); Tolstoy, Eline; Lemasle, Bertrand; Starkenburg, Else; Helmi, Amina [Kapteyn Astronomical Institute, University of Groningen, P.O. Box 800, 9700 AV Groningen (Netherlands); Letarte, Bruno [South African Astronomical Observatory, Observatory Road, 7935 Observatory (South Africa); Baldner, Charles [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Battaglia, Giuseppina; Primas, Francesca [European Southern Observatory, Karl-Schwarzschild-Strasse 2, 85748 Garching (Germany); Kaufer, Andreas, E-mail: kvenn@uvic.ca [European Southern Observatory, Alonso de Cordova 3107, Santiago (Chile)

    2012-06-01

    The detailed abundances of 23 chemical elements in nine bright red giant branch stars in the Carina dwarf spheroidal galaxy are presented based on high-resolution spectra gathered at the Very Large Telescope (VLT) and Magellan telescopes. A spherical model atmospheres analysis is applied using standard methods (local thermodynamic equilibrium and plane-parallel radiative transfer) to spectra ranging from 380 to 680 nm. Stellar parameters are found to be consistent between photometric and spectroscopic analyses, both at moderate and high resolution. The stars in this analysis range in metallicity from -2.9 < [Fe/H] <-1.3, and adopting the ages determined by Lemasle et al., we are able to examine the chemical evolution of Carina's old and intermediate-aged populations. One of the main results from this work is the evidence for inhomogeneous mixing in Carina and therefore for a poor statistical sampling of the supernova contributions when forming stars; a large dispersion in [Mg/Fe] indicates poor mixing in the old population, an offset in the [{alpha}/Fe] ratios between the old and intermediate-aged populations (when examined with previously published results) suggests that the second star formation event occurred in {alpha}-enriched gas, and one star, Car-612, seems to have formed in a pocket enhanced in SN Ia/II products. This latter star provides the first direct link between the formation of stars with enhanced SN Ia/II ratios in dwarf galaxies to those found in the outer Galactic halo (Ivans et al.). Another important result is the potential evidence for SN II driven winds. We show that the very metal-poor stars in Carina have not been enhanced in asymptotic giant branch or SN Ia products, and therefore their very low ratios of [Sr/Ba] suggests the loss of contributions from the early SNe II. Low ratios of [Na/Fe], [Mn/Fe], and [Cr/Fe] in two of these stars support this scenario, with additional evidence from the low [Zn/Fe] upper limit for one star. It is

  15. Uncertainties in stellar evolution models: convective overshoot

    CERN Document Server

    Bressan, Alessandro; Marigo, Paola; Rosenfield, Philip; Tang, Jing

    2014-01-01

    In spite of the great effort made in the last decades to improve our understanding of stellar evolution, significant uncertainties remain due to our poor knowledge of some complex physical processes that require an empirical calibration, such as the efficiency of the interior mixing related to convective overshoot. Here we review the impact of convective overshoot on the evolution of stars during the main Hydrogen and Helium burning phases.

  16. Uncertainties in Stellar Evolution Models: Convective Overshoot

    Science.gov (United States)

    Bressan, Alessandro; Girardi, Léo; Marigo, Paola; Rosenfield, Philip; Tang, Jing

    In spite of the great effort made in the last decades to improve our understanding of stellar evolution, significant uncertainties remain due to our poor knowledge of some complex physical processes that require an empirical calibration, such as the efficiency of the interior mixing related to convective overshoot. Here we review the impact of convective overshoot on the evolution of stars during the main Hydrogen and Helium burning phases.

  17. Modeling Temporal Evolution and Multiscale Structure in Networks

    DEFF Research Database (Denmark)

    Herlau, Tue; Mørup, Morten; Schmidt, Mikkel Nørgaard

    2013-01-01

    Many real-world networks exhibit both temporal evolution and multiscale structure. We propose a model for temporally correlated multifurcating hierarchies in complex networks which jointly capture both effects. We use the Gibbs fragmentation tree as prior over multifurcating trees and a change......-point model to account for the temporal evolution of each vertex. We demonstrate that our model is able to infer time-varying multiscale structure in synthetic as well as three real world time-evolving complex networks. Our modeling of the temporal evolution of hierarchies brings new insights...

  18. Dynamic landscapes: a model of context and contingency in evolution.

    Science.gov (United States)

    Foster, David V; Rorick, Mary M; Gesell, Tanja; Feeney, Laura M; Foster, Jacob G

    2013-10-01

    Although the basic mechanics of evolution have been understood since Darwin, debate continues over whether macroevolutionary phenomena are driven by the fitness structure of genotype space or by ecological interaction. In this paper we propose a simple model capturing key features of fitness-landscape and ecological models of evolution. Our model describes evolutionary dynamics in a high-dimensional, structured genotype space with interspecies interaction. We find promising qualitative similarity with the empirical facts about macroevolution, including broadly distributed extinction sizes and realistic exploration of the genotype space. The abstraction of our model permits numerous applications beyond macroevolution, including protein and RNA evolution.

  19. Mathematical models of thermal and chemical transport in geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Lai, C.-H.

    1985-12-01

    Semi-analytical and numerical methods are used to investigate thermal and chemical transport processes in geologic media. The work is divided into two parts: (1) development of semi-analytical models for the analysis of uncoupled isothermal and nonisothermal fluid flow in naturally fractured media, and (2) development of a high resolution numerical code to address coupled nonisothermal chemical transport in geologic media. A semi-analytical model is developed for well test data analysis in naturally fractured reservoirs. A simple approximate analytical solution for pressure buildup and drawdown tests is developed. Methods based on the approximate solution are developed for the evaluation of important reservoir properties. Type curves for nonisothermal fluid flow in naturally fractured media are developed to design injection systems for maximum energy in hydrothermal systems. An accurate finite difference method for the solution of a convection-diffusion type equation is developed. The method is incorporated in a two-dimensional code to investigate free convection in a porous slab and kinetic silica-water reactions in geothermal systems. A multicomponent model considering the variations of pressure, temperature and silica concentration is developed to interpret the evolution of geothermal systems during exploitation.

  20. Chemically amplified resist modeling in OPC

    Science.gov (United States)

    Zheng, Xin; Huang, Jason; Kuo, Fred; Kazarian, Aram; Chin, Fook; Fan, Yongfa

    2009-03-01

    The mechanism of chemically amplified resist plays a critical role in the modeling of the latent image. To achieve a practical model which can fit into the time frame of OPC, some simplifications and assumptions have to be made. We introduced regression kernels that take into account best exposure focus difference between isotropic pitch, dense, and line end features for the evaluation of image intensity. It compares the image intensity (signal) over small changes above and/or below the regressed "nominal" image position, which in principle corresponds to evaluating the intensity signal at various depths of a fixed resist profile thus can also be regressed for optimization during model development. Our calibration has shown that the model brought a great improvement in prediction for difficult structures such as dense features at or near the optical resolution limit and 2-dimensional features, which are the limiter of the overall model fitting accuracy for 45nm node and below. By replacing other existing techniques, total number of output kernels used for OPC operation is actually reduced with improvement of model accuracy. This model is proven to be a very effective yet accurate addition to the current OPC technology.

  1. CAN GALACTIC CHEMICAL EVOLUTION EXPLAIN THE OXYGEN ISOTOPIC VARIATIONS IN THE SOLAR SYSTEM?

    Energy Technology Data Exchange (ETDEWEB)

    Lugaro, Maria [Monash Centre for Astrophysics (MoCA), Building 28, Monash University, Clayton, VIC 3800 (Australia); Liffman, Kurt [CSIRO/MSE, P.O. Box 56, Highett, VIC 3190 (Australia); Ireland, Trevor R. [Planetary Science Institute and Research School of Earth Sciences, Australian National University, Canberra, ACT 0200 (Australia); Maddison, Sarah T., E-mail: maria.lugaro@monash.edu [Centre for Astrophysics and Supercomputing, Swinburne University, H39, P.O. Box 218, Hawthorn, VIC 3122 (Australia)

    2012-11-01

    A number of objects in primitive meteorites have oxygen isotopic compositions that place them on a distinct, mass-independent fractionation line with a slope of one on a three-isotope plot. The most popular model for describing how this fractionation arose assumes that CO self-shielding produced {sup 16}O-rich CO and {sup 16}O-poor H{sub 2}O, where the H{sub 2}O subsequently combined with interstellar dust to form relatively {sup 16}O-poor solids within the solar nebula. Another model for creating the different reservoirs of {sup 16}O-rich gas and {sup 16}O-poor solids suggests that these reservoirs were produced by Galactic chemical evolution (GCE) if the solar system dust component was somewhat younger than the gas component and both components were lying on the line of slope one in the O three-isotope plot. We argue that GCE is not the cause of mass-independent fractionation of the oxygen isotopes in the solar system. The GCE scenario is in contradiction with observations of the {sup 18}O/{sup 17}O ratios in nearby molecular clouds and young stellar objects. It is very unlikely for GCE to produce a line of slope one when considering the effect of incomplete mixing of stellar ejecta in the interstellar medium. Furthermore, the assumption that the solar system dust was younger than the gas requires unusual timescales or the existence of an important stardust component that is not theoretically expected to occur nor has been identified to date.

  2. Chemical Evolution in Sersic 159-03 Observed with Xmm-Newton

    Energy Technology Data Exchange (ETDEWEB)

    de Plaa, Jelle; Werner, N.; Bykov, A.M.; Kaastra, J.S.; Mendez, M.; Vink, J.; Bleeker, J.A.M.; Bonamente, M.; Peterson, J.R.; /SRON, Utrecht /Utrecht, Astron. Inst.

    2006-03-10

    Using a new long X-ray observation of the cluster of galaxies Sersic 159-03 with XMM-Newton, we derive radial temperature and abundance profiles using single- and multi-temperature models. The fits to the EPIC and RGS spectra prefer multi-temperature models especially in the core. The radial profiles of oxygen and iron measured with EPIC/RGS and the line profiles in RGS suggest that there is a dip in the O/Fe ratio in the centre of the cluster compared to its immediate surroundings. A possible explanation for the large scale metallicity distribution is that SNIa and SNII products are released in the ICM through ram-pressure stripping of in-falling galaxies. This causes a peaked metallicity distribution. In addition, SNIa in the central cD galaxy enrich mainly the centre of the cluster with iron. This excess of SNIa products is consistent with the low O/Fe ratio we detect in the centre of the cluster. We fit the abundances we obtain with yields from SNIa, SNII and Population-III stars to derive the clusters chemical evolution. We find that the measured abundance pattern does not require a Population-III star contribution. The relative contribution of the number of SNIa with respect to the total number of SNe which enrich the ICM is about 25-50%. Furthermore, we discuss the possible presence of a non-thermal component in the EPIC spectra. A potential source of this non-thermal emission can be inverse-Compton scattering between Cosmic Microwave Background (CMB) photons and relativistic electrons, which are accelerated in bow shocks associated with ram-pressure stripping of in-falling galaxies.

  3. ACE-Asia Chemical Transport Modeling Overview

    Science.gov (United States)

    UNO, I.; Chin, M.; Collins, W.; Ginoux, P.; Rasch, P.; Carmichael, G. R.; Yienger, J. J.

    2001-12-01

    ACE-Asia (Asia Pacific Regional Aerosol Characterization Experiment) was designed to increase our understanding of how atmospheric aerosol particles affect the Earth?s climate system. The intensive observation period was carried out during March to May, 2001, and more than 100 researchers from several countries (United States, Japan, Korea, China, and many other Asian countries) participated using aircraft, a research vessel, surface stations and numerical models. Aerosol transport forecast activities played an important role during the ACE-Asia intensive observation period. Three independent modeling groups operated chemical transport models in forecast mode and participated in flight planning activities at the operations center. These models were: MATCH (Model of Atmospheric Transport and Chemistry; Rasch and Collins); GOCART (Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport model; Chin and Ginour) and CFORS (Research Institute for Applied Mechanics, Kyushu University + University of Iowa - Chemical weather FORecast System; Uno, Carmichael and Yienger). The MATCH model used in ACE-Asia was a transport model applied for the Asia region, driven by NCEP forecast meteorology. A unique feature of this model was that it assimilated satellite derived optical depths into its forecast algorithm. The GOCART model provided global aerosol forecast using forecast meteorological fields provided by the Goddard Earth Observing System Data Assimilation System (GEOS DAS). The CFORS model provided regional forecasts using a limited area transport model coupled with Regional Meteorological Modeling System (RAMS), initialized by NCEP and JMA forecasts. All models produced 3-d aerosol forecast products consisting of aerosol mass distributions and optical depths for sulfate, black carbon, organic carbon, sea salt, and dust. In the field these model products were made available to all participating scientists via the Web, and were also presented during the

  4. Knowledge Growth: Applied Models of General and Individual Knowledge Evolution

    Science.gov (United States)

    Silkina, Galina Iu.; Bakanova, Svetlana A.

    2016-01-01

    The article considers the mathematical models of the growth and accumulation of scientific and applied knowledge since it is seen as the main potential and key competence of modern companies. The problem is examined on two levels--the growth and evolution of objective knowledge and knowledge evolution of a particular individual. Both processes are…

  5. The Statistical Evolution of Multiple Generations of Oxidation Products in the Photochemical Aging of Chemically Reduced Organic Aerosol

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Kevin R.; Smith, Jared D.; Kessler, Sean; Kroll, Jesse H.

    2011-10-03

    The heterogeneous reaction of hydroxyl radicals (OH) with squalane and bis(2-ethylhexyl) sebacate (BES) particles are used as model systems to examine how distributions of reactionproducts evolve during the oxidation of chemically reduced organic aerosol. A kinetic model of multigenerational chemistry, which is compared to previously measured (squalane) and new(BES) experimental data, reveals that it is the statistical mixtures of different generations of oxidation products that control the average particle mass and elemental composition during thereaction. The model suggests that more highly oxidized reaction products, although initially formed with low probability, play a large role in the production of gas phase reaction products.In general, these results highlight the importance of considering atmospheric oxidation as a statistical process, further suggesting that the underlying distribution of molecules could playimportant roles in aerosol formation as well as in the evolution of key physicochemical properties such as volatility and hygroscopicity.

  6. Chemically induced mouse models of intestinal inflammation.

    Science.gov (United States)

    Wirtz, Stefan; Neufert, Clemens; Weigmann, Benno; Neurath, Markus F

    2007-01-01

    Animal models of intestinal inflammation are indispensable for our understanding of the pathogenesis of Crohn disease and ulcerative colitis, the two major forms of inflammatory bowel disease in humans. Here, we provide protocols for establishing murine 2,4,6-trinitro benzene sulfonic acid (TNBS)-, oxazolone- and both acute and chronic dextran sodium sulfate (DSS) colitis, the most widely used chemically induced models of intestinal inflammation. In the former two models, colitis is induced by intrarectal administration of the covalently reactive reagents TNBS/oxazolone, which are believed to induce a T-cell-mediated response against hapten-modified autologous proteins/luminal antigens. In the DSS model, mice are subjected several days to drinking water supplemented with DSS, which seems to be directly toxic to colonic epithelial cells of the basal crypts. The procedures for the hapten models of colitis and acute DSS colitis can be accomplished in about 2 weeks but the protocol for chronic DSS colitis takes about 2 months.

  7. An integrated fluid-chemical model towards modeling the formation of intra-luminal thrombus in abdominal aortic aneurysms

    Directory of Open Access Journals (Sweden)

    Jacopo eBiasetti

    2012-07-01

    Full Text Available Abdominal Aortic Aneurysms (AAAs are frequently characterized by the presenceof an Intra-Luminal Thrombus (ILT known to influence biochemically and biomechanicallytheir evolution. ILT progression mechanism is still unclear and little is known regardingthe impact on this mechanism of the chemical species transported by blood flow.Chemical agonists and antagonists of platelets activation, aggregation, and adhesion andthe proteins involved in the coagulation cascade (CC may play an important role in ILTdevelopment. Starting from this assumption, the evolution of chemical species involvedin the CC, their relation to coherent vortical structures (VSs and their possible effect onILT evolution have been studied. To this end a fluido-chemical model that simulates theCC through a series of convection-diffusion-reaction (CDR equations has been developed.The model involves plasma-phase and surface bound enzymes and zymogens, and includesboth plasma-phase and membrane-phase reactions. Blood is modeled as a non-Newtonianincompressible fluid. VSs convect thrombin in the domain and lead to the high concentration observed in the distal portion of the AAA. This finding is in line with the clinicalobservations showing that the thickest ILT is usually seen in the distal AAA region. Theproposed model, due to its ability to couple the fluid and chemical domains, provides anintegrated mechanochemical picture that potentially could help unveil mechanisms of ILTformation and development.

  8. Uncertainty quantification for quantum chemical models of complex reaction networks.

    Science.gov (United States)

    Proppe, Jonny; Husch, Tamara; Simm, Gregor N; Reiher, Markus

    2016-12-22

    For the quantitative understanding of complex chemical reaction mechanisms, it is, in general, necessary to accurately determine the corresponding free energy surface and to solve the resulting continuous-time reaction rate equations for a continuous state space. For a general (complex) reaction network, it is computationally hard to fulfill these two requirements. However, it is possible to approximately address these challenges in a physically consistent way. On the one hand, it may be sufficient to consider approximate free energies if a reliable uncertainty measure can be provided. On the other hand, a highly resolved time evolution may not be necessary to still determine quantitative fluxes in a reaction network if one is interested in specific time scales. In this paper, we present discrete-time kinetic simulations in discrete state space taking free energy uncertainties into account. The method builds upon thermo-chemical data obtained from electronic structure calculations in a condensed-phase model. Our kinetic approach supports the analysis of general reaction networks spanning multiple time scales, which is here demonstrated for the example of the formose reaction. An important application of our approach is the detection of regions in a reaction network which require further investigation, given the uncertainties introduced by both approximate electronic structure methods and kinetic models. Such cases can then be studied in greater detail with more sophisticated first-principles calculations and kinetic simulations.

  9. A data base for galaxy evolution modeling

    NARCIS (Netherlands)

    Leitherer, C; Alloin, D; FritzVonAlvensleben, U; Gallagher, JS; Huchra, JP; Matteucci, F; OConnell, RW; Beckman, JE; Bertelli, GP; Bica, E; Boisson, C; Bonatto, C; Bothun, GD; Bressan, A; Brodie, JP; Bruzual, G; Burstein, D; Buser, R; Caldwell, N; Casuso, E; Cervino, M; Charlot, S; Chavez, M; Chiosi, C; Christian, CA; Cuisinier, F; Dallier, R; deKoter, A; Delisle, S; Diaz, AI; Dopita, MA; Dorman, B; Fagotto, F; Fanelli, MN; Fioc, M; GarciaVargas, ML; Girardi, L; Goldader, JD; Hardy, E; Heckman, TM; Iglesias, J; Jablonka, P; Joly, M; Jones, L; Kurth, O; Lancon, A; Lejeune, T; Loxen, J; Maeder, A; Malagnini, ML; Marigo, P; MasHesse, JM; Meynet, G; Moller, CS; Molla, ML; Morossi, C; Nasi, E; Nichols, JS; Odegaard, KJR; Parker, JWM; Pastoriza, MG; Peletier, R; Robert, C; RoccaVolmerange, B; Schaerer, D; Schmidt, A; Schmitt, HR; Schommer, RA; Schmutz, W; Silva, L; Stasinska, G; Sutherland, RS; Tantalo, R; Traat, P; Vallenari, A; Vazdekis, A; Walborn, NR; Worthey, G

    1996-01-01

    This paper represents a collective effort to provide an extensive electronic data base useful for the interpretation of the spectra and evolution of galaxies. A broad variety of empirical and theoretical data is discussed here, and the data are made fully available in the AAS CD-ROM Series, Vol. 7.

  10. Landscape Evolution Modelling of naturally dammed rivers

    NARCIS (Netherlands)

    van Gorp, Wouter; Temme, Arnaud J. A. M.; Baartman, Jantiene E. M.; Schoorl, Jeroen M.

    2014-01-01

    Natural damming of upland river systems, such as landslide or lava damming, occurs worldwide. Many dams fail shortly after their creation, while other dams are long-lived and therefore have a long-term impact on fluvial and landscape evolution. This long-term impact is still poorly understood and la

  11. Evolution of the stratospheric temperature and chemical composition over one Titanian year

    Energy Technology Data Exchange (ETDEWEB)

    Coustenis, Athena; Bampasidis, G.; Vinatier, S. [Laboratoire d' Etudes Spatiales et d' Instrumentation en Astrophysique (LESIA), Observatoire de Paris, CNRS, UPMC Univ. Paris 06, Univ. Paris-Diderot, 5, place Jules Janssen, F-92195 Meudon Cedex (France); Achterberg, R. K.; Jennings, D. E.; Nixon, C. A.; Flasar, F. M.; Carlson, R. C.; Romani, P. N.; Guandique, E. A. [NASA/Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Lavvas, P. [GSMA, Université Reims Champagne-Ardenne, F-51687 Reims Cedex 2 (France); Teanby, N. A. [School of Earth Sciences, University of Bristol, Bristol BS8 1RJ (United Kingdom); Orton, G. [MS 183-501, Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Stamogiorgos, S., E-mail: athena.coustenis@obspm.fr [Faculty of Physics, National and Kapodistrian University of Athens, Panepistimioupolis, GR 15783 Zographos, Athens (Greece)

    2013-12-20

    Since the Voyager 1 (V1) flyby in 1980, Titan's exploration from space and the ground has been ongoing for more than a full revolution of Saturn around the Sun (one Titanian year or 29.5 Earth years had elapsed in 2010 May). In this study, we search for temporal variations affecting Titan's atmospheric thermal and chemical structure within that year. We process Cassini/CIRS data taken during the Titan flybys from 2006-2013 and find a rather uneventful equatorial evolution. Conversely, at northern latitudes, we found enhanced abundances around the period of the northern spring equinox in mid-2009, which subsequently decreased (from 2010 to 2012), returning to values similar to those found in the V1 epoch, one Titanian year before. In the southern latitudes, since 2012, we see a trend for an increase of several trace gases (C{sub 4}H{sub 2}, C{sub 3}H{sub 4}, and HCN), indicative of a seasonal atmospheric reversal setting in. When we compare the CIRS 2010 and the 1980 V1/IRIS spectra (reanalyzed here), we find limited inter-annual variations. A return to the 1980 stratospheric temperatures and abundances is generally achieved from 50°N to 50°S, indicative of the solar radiation being the dominating energy source at 10 AU, as for the Earth, as predicted by general circulation and photochemical models. Exceptions concern the most complex hydrocarbons (C{sub 4}H{sub 2} and C{sub 3}H{sub 4}). We also consider data from ground-based and Earth-orbiting observatories (such as from the Infrared Space Observatory, revisited here) and discuss possible atmospheric composition trends during a Titanian year.

  12. Hydro-chemical study of the evolution of interstellar pre-biotic molecules during the collapse of molecular clouds

    Institute of Scientific and Technical Information of China (English)

    Liton Majumdar; Ankan Das; Sandip K. Chakrabarti; Sonali Chakrabarti

    2012-01-01

    One of the stumbling blocks for studying the evolution of interstellar molecules is the lack of adequate knowledge about the rate coefficients of various reactions which take place in the interstellar medium and molecular clouds.Some theoretical models of rate coefficients do exist in the literature for computing abundances of complex pre-biotic molecules.So far these have been used to study the abundances of these molecules in space.However,in order to obtain more accurate final compositions in these media,we have calculated the rate coefficients for the formation of some of the most important interstellar pre-biotic molecules by using quantum chemical theory.We use these rates inside our hydro-chemical model to examine the chemical evolution and final abundances of pre-biotic species during the collapsing phase of a proto-star.We find that a significant amount of various pre-biotic molecules could be produced during the collapse phase of a proto-star.We thoroughly study the formation of these molecules via successive neutral-neutral and radical-radical/radicalmolecular reactions.We present the time evolution of the chemical species with an emphasis on how the production of these molecules varies with the depth of a cloud.We compare the formation of adenine in interstellar space using our rate-coefficients and using those obtained from existing theoretical models.Formation routes of the pre-biotic molecules are found to be highly dependent on the abundances of the reactive species and the rate coefficients involved in the reactions.The presence of grains strongly affects the abundances of the gas phase species.We also carry out a comparative study between different pathways available for the synthesis of adenine,alanine,glycine and other molecules considered in our network.Despite the huge abundances of the neutral reactive species,production of adenine is found to be strongly dominated by the radical-radical/radical-molecular reaction pathways.If all the

  13. Chemical evolution of interstellar dust, comets and the origins of life.

    Science.gov (United States)

    Greenberg, J M; Zhao, N; Hage, J

    1989-04-01

    It now appears that the chemical evolution of the pre-solar system interstellar dust ensures that a major fraction of comets is in the form of complex organic molecules at least partially of a prebiotic nature and that the submicron interstellar dust preserves its chemical integrity as result of forming a very tenuous low density comet structure whose solid matter occupies approximately 1/5 of the total volume. This low density micro structure further provides a physical basis for comets bringing a significant fraction of the original interstellar organic molecules to the earth unmodified by the impact event. Finally, the evidence for a large number of comet collisions with the early earth ensured that the major organic molecular budget on the earth's surface was "continuously" supplied along with water well before 3.8 billion years ago which is the earliest date for life. The chemistry and morphological structure of a comet nucleus as an aggregate of interstellar dust is used to provide comparisons with a variety of comet Halley results: the density of the nucleus and of the dust; the dust cloud model and its consequences on the production of C+ and CN in the coma by small organic grains; the surface albedo and the low nucleus heat conductivity and high surface temperature; the appearance of 10(-14) g and 10(-17) g dust particles along with higher masses; the mass spectra of dust and infrared spectroscopy as evidence for complex organic grain mantles and of very small (approximately 0.01 micrometer) carbonaceous and silicate grains; the appearance of small grains resulting from breakup of larger grains. The cosmic ray dosage of a comet nucleus during its 4.5 billion years in the Oort cloud appears to be many orders of magnitude less than the dosage of the preaggregated interstellar dust by ultraviolet photons except perhaps in the outer few meters of the nucleus of a new comet. The heat conductivity calculated for aggregated dust is certainly less than 10(-4) that

  14. The effect of interacting binaries on the chemical evolution of Globular Clusters

    CERN Document Server

    Vanbeveren, D; De Greve, J P

    2011-01-01

    The chemical processes during the Asymptotic Giant Branch (AGB) evolution of intermediate mass single stars (IMSSs) predict most of the observations of the different populations in globular clusters (GCs) although some important issues still need to be further clarified. In particular, to reproduce the observed anticorrelations of Na-O and Al-Mg and the helium distribution function, chemically enriched gas lost during the AGB phase of IMSSs must be mixed by pristine matter. The source of this pristine gas is still a matter of debate. Furthermore, observations reveal that a significant fraction of the intermediate mass and massive stars are born as components of close binaries. We will investigate the effects of binaries on the chemical evolution of GCs and on the origin of pristine matter that is needed for the single star AGB scenario to work. We use a population number synthesis code that accounts for all known binary physics in order to estimate the amount and the nature of the matter returned to the inter...

  15. Planet signatures and effect of the chemical evolution of the Galactic thin-disk stars

    CERN Document Server

    Spina, Lorenzo; Ramírez, Ivan

    2016-01-01

    Context: Studies based on high-precision abundance determinations revealed that chemical patterns of solar twins are characterised by the correlation between the differential abundances relative to the Sun and the condensation temperatures (Tc) of the elements. It has been suggested that the origin of this relation is related to the chemical evolution of the Galactic disk, but other processes, associated with the presence of planets around stars, might also be involved. Aims: We analyse HIRES spectra of 14 solar twins and the Sun to provide new insights on the mechanisms that can determine the relation between [X/H] and Tc. Methods: Our spectroscopic analysis produced stellar parameters (Teff, log g, [Fe/H], and $\\xi$), ages, masses, and abundances of 22 elements (C, O, Na, Mg, Al, Si, S, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Sr, Y, and Ba). We used these determinations to place new constraints on the chemical evolution of the Galactic disk and to verify whether this process alone can explain the diff...

  16. From prebiotic chemistry to cellular metabolism--the chemical evolution of metabolism before Darwinian natural selection.

    Science.gov (United States)

    Meléndez-Hevia, Enrique; Montero-Gómez, Nancy; Montero, Francisco

    2008-06-07

    It is generally assumed that the complex map of metabolism is a result of natural selection working at the molecular level. However, natural selection can only work on entities that have three basic features: information, metabolism and membrane. Metabolism must include the capability of producing all cellular structures, as well as energy (ATP), from external sources; information must be established on a material that allows its perpetuity, in order to safeguard the goals achieved; and membranes must be able to preserve the internal material, determining a selective exchange with external material in order to ensure that both metabolism and information can be individualized. It is not difficult to understand that protocellular entities that boast these three qualities can evolve through natural selection. The problem is rather to explain the origin of such features under conditions where natural selection could not work. In the present work we propose that these protocells could be built by chemical evolution, starting from the prebiotic primordial soup, by means of chemical selection. This consists of selective increases of the rates of certain specific reactions because of the kinetic or thermodynamic features of the process, such as stoichiometric catalysis or autocatalysis, cooperativity and others, thereby promoting their prevalence among the whole set of chemical possibilities. Our results show that all chemical processes necessary for yielding the basic materials that natural selection needs to work may be achieved through chemical selection, thus suggesting a way for life to begin.

  17. A Phenomenological Model for the Evolution of Proto-Galaxies

    CERN Document Server

    Tabatabaei, F K

    2003-01-01

    The contraction model of Field and Colgate for proto-galaxies, first proposed to describe the observed properties of quasars, is generalized and used to investigate the evolution of galaxies. The LEDA data base for elliptical, spiral, compact and diffuse galaxies is employed and it is shown that the above model is consistent with observational evidences regarding their dynamical evolution, star formation rate and different morphologies.

  18. A Novel Approach to Constraining Uncertain Stellar Evolution Models

    Science.gov (United States)

    Rosenfield, Philip; Girardi, Leo; Dalcanton, Julianne; Johnson, L. C.; Williams, Benjamin F.; Weisz, Daniel R.; Bressan, Alessandro; Fouesneau, Morgan

    2017-01-01

    Stellar evolution models are fundamental to nearly all studies in astrophysics. They are used to interpret spectral energy distributions of distant galaxies, to derive the star formation histories of nearby galaxies, and to understand fundamental parameters of exoplanets. Despite the success in using stellar evolution models, some important aspects of stellar evolution remain poorly constrained and their uncertainties rarely addressed. We present results using archival Hubble Space Telescope observations of 10 stellar clusters in the Magellanic Clouds to simultaneously constrain the values and uncertainties of the strength of core convective overshooting, metallicity, interstellar extinction, cluster distance, binary fraction, and age.

  19. The Gaia-ESO Survey: Sodium and aluminium abundances in giants and dwarfs. Implications for stellar and Galactic chemical evolution

    Science.gov (United States)

    Smiljanic, R.; Romano, D.; Bragaglia, A.; Donati, P.; Magrini, L.; Friel, E.; Jacobson, H.; Randich, S.; Ventura, P.; Lind, K.; Bergemann, M.; Nordlander, T.; Morel, T.; Pancino, E.; Tautvaišienė, G.; Adibekyan, V.; Tosi, M.; Vallenari, A.; Gilmore, G.; Bensby, T.; François, P.; Koposov, S.; Lanzafame, A. C.; Recio-Blanco, A.; Bayo, A.; Carraro, G.; Casey, A. R.; Costado, M. T.; Franciosini, E.; Heiter, U.; Hill, V.; Hourihane, A.; Jofré, P.; Lardo, C.; de Laverny, P.; Lewis, J.; Monaco, L.; Morbidelli, L.; Sacco, G. G.; Sbordone, L.; Sousa, S. G.; Worley, C. C.; Zaggia, S.

    2016-05-01

    Context. Stellar evolution models predict that internal mixing should cause some sodium overabundance at the surface of red giants more massive than ~1.5-2.0 M⊙. The surface aluminium abundance should not be affected. Nevertheless, observational results disagree about the presence and/or the degree of Na and Al overabundances. In addition, Galactic chemical evolution models adopting different stellar yields lead to very different predictions for the behavior of [Na/Fe] and [Al/Fe] versus [Fe/H]. Overall, the observed trends of these abundances with metallicity are not well reproduced. Aims: We readdress both issues, using new Na and Al abundances determined within the Gaia-ESO Survey. Our aim is to obtain better observational constraints on the behavior of these elements using two samples: i) more than 600 dwarfs of the solar neighborhood and of open clusters and ii) low- and intermediate-mass clump giants in six open clusters. Methods: Abundances were determined using high-resolution UVES spectra. The individual Na abundances were corrected for nonlocal thermodynamic equilibrium effects. For the Al abundances, the order of magnitude of the corrections was estimated for a few representative cases. For giants, the abundance trends with stellar mass are compared to stellar evolution models. For dwarfs, the abundance trends with metallicity and age are compared to detailed chemical evolution models. Results: Abundances of Na in stars with mass below ~2.0 M⊙, and of Al in stars below ~3.0 M⊙, seem to be unaffected by internal mixing processes. For more massive stars, the Na overabundance increases with stellar mass. This trend agrees well with predictions of stellar evolutionary models. For Al, our only cluster with giants more massive than 3.0 M⊙, NGC 6705, is Al enriched. However, this might be related to the environment where the cluster was formed. Chemical evolution models that well fit the observed [Na/Fe] vs. [Fe/H] trend in solar neighborhood dwarfs

  20. Contribution of Neutron Star Mergers to the R-process Chemical Evolution in the Hierarchical Galaxy Formation

    CERN Document Server

    Komiya, Yutaka

    2016-01-01

    The main astronomical source of r-process elements has not yet been identified. One plausible site is neutron star mergers (NSMs), but from perspective of the Galactic chemical evolution, it has been pointed out that NSMs cannot reproduce the observed r-process abundance distribution of metal-poor stars at [Fe/H] $< -3$. Recently, Tsujimoto & Shigeyama (2014) pointed out that NSM ejecta can spread into much larger volume than ejecta from a supernova. We re-examine the enrichment of r-process elements by NSMs considering this difference in propagation using the chemical evolution model under the hierarchical galaxy formation. The observed r-process enhanced stars around [Fe/H] $\\sim -3$ are reproduced if the star formation efficiency is lower for low-mass galaxies under a realistic delay time distribution for NSMs. We show that a significant fraction of NSM ejecta escape from its host proto-galaxy to pollute intergalactic matter and other proto-galaxies. The propagation of r-process elements over proto-...

  1. Contribution of Neutron Star Mergers to the r-Process Chemical Evolution in the Hierarchical Galaxy Formation

    Science.gov (United States)

    Komiya, Yutaka; Shigeyama, Toshikazu

    2016-10-01

    The main astronomical source of r-process elements has not yet been identified. One plausible site is neutron star mergers (NSMs), but from the perspective of the Galactic chemical evolution, it has been pointed out that NSMs cannot reproduce the observed r-process abundance distribution of metal-poor stars at [{Fe}/{{H}}]\\lt -3. Recently, Tsujimoto & Shigeyama pointed out that NSM ejecta can spread into a much larger volume than ejecta from a supernova. We re-examine the enrichment of r-process elements by NSMs considering this difference in propagation using the chemical evolution model under the hierarchical galaxy formation. The observed r-process enhanced stars around [{Fe}/{{H}}]∼ -3 are reproduced if the star formation efficiency is lower for low-mass galaxies under a realistic delay-time distribution for NSMs. We show that a significant fraction of NSM ejecta escape from its host proto-galaxy to pollute intergalactic matter and other proto-galaxies. The propagation of r-process elements over proto-galaxies changes the abundance distribution at [{Fe}/{{H}}]\\lt -3 and obtains distribution compatible with observations of the Milky Way halo stars. In particular, the pre-enrichment of intergalactic medium explains the observed scarcity of extremely metal-poor stars without Ba and abundance distribution of r-process elements at [{Fe}/{{H}}]≲ -3.5.

  2. Model-driven evolution of software architectures

    OpenAIRE

    Graaf, B.S.

    2007-01-01

    Software evolves continuously. As a consequence, software systems tend to become increasingly complex and, as such, more difficult to change. A software system's complexity is for a large part determined by its structure, or architecture. In this thesis we investigate how to reduce the risks and costs associated with the evolution of software architectures. Automation and abstraction are two basic software engineering techniques to deal with complexity. In this thesis we investigate the appli...

  3. Open Educational Resources: evolution and models

    Directory of Open Access Journals (Sweden)

    Mª Paz Trillo Miravalles

    2012-10-01

    Full Text Available With the revolution in Information Technologies and Communication, a new thinking emerges about the use of these means from different fields.This article presents the evolution and prospect of technologies from the socioeducational field, it shows different movements emerged on European and international level. It analyses the Open Educational Resources (OER understood as new resources owing to the fact that they are offered free of charge to the whole society, they manage to share, adapt and use the knowledge.

  4. A kinetic model for chemical neurotransmission

    Science.gov (United States)

    Ramirez-Santiago, Guillermo; Martinez-Valencia, Alejandro; Fernandez de Miguel, Francisco

    Recent experimental observations in presynaptic terminals at the neuromuscular junction indicate that there are stereotyped patterns of cooperativeness in the fusion of adjacent vesicles. That is, a vesicle in hemifusion process appears on the side of a fused vesicle and which is followed by another vesicle in a priming state while the next one is in a docking state. In this talk we present a kinetic model for this morphological pattern in which each vesicle state previous to the exocytosis is represented by a kinetic state. This chain states kinetic model can be analyzed by means of a Master equation whose solution is simulated with the stochastic Gillespie algorithm. With this approach we have reproduced the responses to the basal release in the absence of stimulation evoked by the electrical activity and the phenomena of facilitation and depression of neuromuscular synapses. This model offers new perspectives to understand the underlying phenomena in chemical neurotransmission based on molecular interactions that result in the cooperativity between vesicles during neurotransmitter release. DGAPA Grants IN118410 and IN200914 and Conacyt Grant 130031.

  5. The first Step of Evolution from the View Point of chemical Catalysis

    Science.gov (United States)

    Parmon, V.; Snytnikov, V.

    A kinetic analysis of the steady state replication of molecules Xi due to consumption a "food" R via simple autocatalytic processes likekiktiR + Xi2Xi ,XiP,k -i and its more complicated analogs demonstrates inevitability of arising an irreversible and thus progressive evolution of autocatalyst molecules Xi , if only the autocatalysts can undergo a chemical mutation and the concentration of "food" R can fall below a critical valueRcri = k ti / k t . The natural selection of simple autocatalysts mimics a protolife and occurs in only one direction toward minimizing the value of Rcri which is improved through the mutation. The driving force of this selection is the long-term existence of a deficiency in "food" R. No doubt, this ability of simple autocatalytic systems to an irreversible progressive evolution is a total analogy of the existence of a primitive biological memory. This evidences in the possibility of starting a progressive prebiotic evolution even in the absence of special evolution information carriers like RNA or DNA molecules. One of the most plausible candidates for the first protolife autocatalytic reaction is the well-known "formosa" reaction of autocatalytic polymerization of formaldehyde into a variety of C3 -C6 monosaccharides in water solution catalyzed by the dissolved omnipresent calcium cations. Note, that formaldehyde was also a typical constituent of the Protoearth atmosphere. Mutation of saccharides is very easy and can be exemplified by any chemical modification of saccharide molecules, e.g., by nitrogen- or phosphate-containing derivatives, with the formation and progressive selection of initial biological building blocks. One may expect that the natural selection in abiogenous formosa systems could serve as a trigger of evolution mechanism. Also, formosa systems themselves may be a real precursor of appearance of the first and most primitive, but operating RNA molecules that resulted later in the first biological systems. Thus, the RNA or

  6. Construction Method of Supernetwork Evolution Model

    Institute of Scientific and Technical Information of China (English)

    LIU; Qiang; FANG; Jin-qing; LI; Yong

    2013-01-01

    Real networks often have small-world and scale-free characteristics.Based on BA and WS model,we proposed the following construction method for TLSEM(Fig.1).Three layers are BA model(TBA),three layers are SW model(TSW),the first and third layers are BA model,the middle layer is SW model(BA-SW),the first and third layers are SW model,and the middle layer is BA model(SW-BA).The

  7. Development of a numerical 2-dimensional beach evolution model

    DEFF Research Database (Denmark)

    Baykal, Cüneyt

    2014-01-01

    This paper presents the description of a 2-dimensional numerical model constructed for the simulation of beach evolution under the action of wind waves only over the arbitrary land and sea topographies around existing coastal structures and formations. The developed beach evolution numerical model...... is composed of 4 submodels: a nearshore spectral wave transformation model based on an energy balance equation including random wave breaking and diffraction terms to compute the nearshore wave characteristics, a nearshore wave-induced circulation model based on the nonlinear shallow water equations...... to compute the nearshore depth-averaged wave-induced current velocities and mean water level changes, a sediment transport model to compute the local total sediment transport rates occurring under the action of wind waves, and a bottom evolution model to compute the bed level changes in time based...

  8. Experimental evolution in silico: a custom-designed mathematical model for virulence evolution of Bacillus thuringiensis.

    Science.gov (United States)

    Strauß, Jakob Friedrich; Crain, Philip; Schulenburg, Hinrich; Telschow, Arndt

    2016-08-01

    Most mathematical models on the evolution of virulence are based on epidemiological models that assume parasite transmission follows the mass action principle. In experimental evolution, however, mass action is often violated due to controlled infection protocols. This "theory-experiment mismatch" raises the question whether there is a need for new mathematical models to accommodate the particular characteristics of experimental evolution. Here, we explore the experimental evolution model system of Bacillus thuringiensis as a parasite and Caenorhabditis elegans as a host. Recent experimental studies with strict control of parasite transmission revealed that one-sided adaptation of B. thuringiensis with non-evolving hosts selects for intermediate or no virulence, sometimes coupled with parasite extinction. In contrast, host-parasite coevolution selects for high virulence and for hosts with strong resistance against B. thuringiensis. In order to explain the empirical results, we propose a new mathematical model that mimics the basic experimental set-up. The key assumptions are: (i) controlled parasite transmission (no mass action), (ii) discrete host generations, and (iii) context-dependent cost of toxin production. Our model analysis revealed the same basic trends as found in the experiments. Especially, we could show that resistant hosts select for highly virulent bacterial strains. Moreover, we found (i) that the evolved level of virulence is independent of the initial level of virulence, and (ii) that the average amount of bacteria ingested significantly affects the evolution of virulence with fewer bacteria ingested selecting for highly virulent strains. These predictions can be tested in future experiments. This study highlights the usefulness of custom-designed mathematical models in the analysis and interpretation of empirical results from experimental evolution.

  9. Chemical Mechanism Solvers in Air Quality Models

    Directory of Open Access Journals (Sweden)

    John C. Linford

    2011-09-01

    Full Text Available The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations arenecessary. This paper reviews the issues and challenges associated with the construction ofefficient chemical solvers, discusses several families of algorithms, presents strategies forincreasing computational efficiency, and gives insight into implementing chemical solverson accelerated computer architectures.

  10. A mesoscale chemical transport model (MEDIUM) nested in a global chemical transport model (MEDIANTE)

    Energy Technology Data Exchange (ETDEWEB)

    Claveau, J.; Ramaroson, R. [Office National d`Etudes et de Recherches Aerospatiales (ONERA), 92 - Chatillon (France)

    1997-12-31

    The lower stratosphere and upper troposphere (UT-LS) are frequently subject to mesoscale or local scale exchange of air masses occurring along discontinuities. This exchange (e.g. downward) can constitute one of the most important source of ozone from the stratosphere down to the middle troposphere where strong mixing dilutes the air mass and competing the non-linear chemistry. The distribution of the chemical species in the troposphere and the lower stratosphere depends upon various source emissions, e.g. from polluted boundary layer or from aircraft emissions. Global models, as well as chemical transport models describe the climatological state of the atmosphere and are not able to describe correctly the stratosphere and troposphere exchange. Mesoscale models go further in the description of smaller scales and can reasonably include a rather detailed chemistry. They can be used to assess the budget of NO{sub x} from aircraft emissions in a mesoscale domain. (author) 4 refs.

  11. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys.

    Science.gov (United States)

    Zhang, Yanwen; Stocks, G Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C; Wang, Lumin; Béland, Laurent K; Stoller, Roger E; Samolyuk, German D; Caro, Magdalena; Caro, Alfredo; Weber, William J

    2015-10-28

    A grand challenge in materials research is to understand complex electronic correlation and non-equilibrium atomic interactions, and how such intrinsic properties and dynamic processes affect energy transfer and defect evolution in irradiated materials. Here we report that chemical disorder, with an increasing number of principal elements and/or altered concentrations of specific elements, in single-phase concentrated solid solution alloys can lead to substantial reduction in electron mean free path and orders of magnitude decrease in electrical and thermal conductivity. The subsequently slow energy dissipation affects defect dynamics at the early stages, and consequentially may result in less deleterious defects. Suppressed damage accumulation with increasing chemical disorder from pure nickel to binary and to more complex quaternary solid solutions is observed. Understanding and controlling energy dissipation and defect dynamics by altering alloy complexity may pave the way for new design principles of radiation-tolerant structural alloys for energy applications.

  12. Simple Model of Shape Evolution of Desiccated Colloidal Sessile Drop

    OpenAIRE

    Tarasevich, Yu. Yu.; Vodolazskaya, I. V.; Isakova, O. P.

    2011-01-01

    We propose simple model of colloidal sessile drop desiccation. The model describes correctly both evolution of the phase boundary between sol and gel inside such a drop and the final shape of the dried film (deposit). The model is based on mass conservation and natural assumption that deposit (gel phase) prevents flows and evaporation.

  13. Chemical leasing business models: a contribution to the effective risk management of chemical substances.

    Science.gov (United States)

    Ohl, Cornelia; Moser, Frank

    2007-08-01

    Chemicals indisputably contribute greatly to the well-being of modern societies. Apart from such benefits, however, chemicals often pose serious threats to human health and the environment when improperly handled. Therefore, the European Commission has proposed a regulatory framework for the Registration, Evaluation and Authorization of Chemicals (REACH) that requires companies using chemicals to gather pertinent information on the properties of these substances. In this article, we argue that the crucial aspect of this information management may be the honesty and accuracy of the transfer of relevant knowledge from the producer of a chemical to its user. This may be particularly true if the application of potentially hazardous chemicals is not part of the user's core competency. Against this background, we maintain that the traditional sales concept provides no incentives for transferring this knowledge. The reason is that increased user knowledge of a chemical's properties may raise the efficiency of its application. That is, excessive and unnecessary usage will be eliminated. This, in turn, would lower the amount of chemicals sold and in competitive markets directly decrease profits of the producer. Through the introduction of chemical leasing business models, we attempt to present a strategy to overcome the incentive structure of classical sales models, which is counterproductive for the transfer of knowledge. By introducing two models (a Model A that differs least and a Model B that differs most from traditional sales concepts), we demonstrate that chemical leasing business models are capable of accomplishing the goal of Registration, Evaluation and Authorization of Chemicals: to effectively manage the risk of chemicals by reducing the total quantity of chemicals used, either by a transfer of applicable knowledge from the lessor to the lessee (Model A) or by efficient application of the chemical by the lessor him/herself (Model B).

  14. In situ models, physico-chemical aspects.

    Science.gov (United States)

    ten Cate, J M

    1994-07-01

    In situ (intra-oral) caries models are used for two purposes. First, they provide information about oral physiological processes. Such information helps to detail our knowledge of the oral ecosystem and to verify conclusions from in vitro experiments. Second, in situ models are utilized to test preventive agents in the phase between laboratory testing and clinical trials. Most investigations involving enamel inserts have been aimed at testing new dentifrices. The experimental designs of such studies usually do not allow one to draw conclusions on physico-chemical processes, e.g., because of single point measurements. Studies of model parameters (lesion type, lesion severity, and de/remineralization in time) constitute only a minority of the research reports. The most striking observation obtained with in situ models has been the significant differences in de/remineralization observed among individuals and, more importantly, within one individual during different time periods and between different sites in the same mouth (for review, see ten Cate et al., 1992). Regardless of this, some general findings can be inferred: During in situ demineralization, up to 62 vol% microns/day may be removed from enamel. For dentin specimens, this value may be as high as 89 vol% microns/day. For remineralization, during fluoride dentifrice treatment, a median deposition rate of 0.7%/day (for lesions with integrated mineral loss values between 2000 and 4000 vol% microns) is found. The rate of deposition seems to be correlated with the extent of the pre-formed lesion. This suggests that the number of sites (crystallite surface) available for calcium phosphate precipitation is an important parameter.(ABSTRACT TRUNCATED AT 250 WORDS)

  15. Effects of mechanical dispersion on the morphological evolution of a chemical dissolution front in a fluid-saturated porous medium

    Science.gov (United States)

    Chen, Jui-Sheng; Liu, Chen-Wuing; Lai, Geng-Xin; Ni, Chuen-Fa

    2009-06-01

    SummaryThe dissolution-induced finger or wormhole patterns in porous medium or fracture rock play a crucial role in a variety of scientific, industrial, and engineering practices. Although previous studies have extensively presented a number of numerical models which couples a system of nonlinear governing equations of porosity change due to mineral dissolution, the conservations of groundwater flow and transport of chemical species to investigate the morphological pattern of a chemical dissolution front within a fluid-saturated porous medium, whereas the mechanical dispersion effect has generally been neglected in the model development. This study addresses the effects of mechanical dispersion on the morphological evolution of a chemical dissolution front for a variety of cases. Mechanical dispersion processes is incorporated with the coupled nonlinear governing equation system so as to rebuild a newly numerical model. The results of numerical simulations demonstrate that mechanical dispersion has pronounced impacts on the morphological pattern of the chemical dissolution front. For single local non-uniformity case, mechanical dispersion reduces the finger length of an unstable single-fingering front or retains the shape of a stable planar front while speeding up the front advancement. In the case of two local non-uniformities, adding mechanical dispersion with different flow conditions can yield one of the following results: (1) the shape of the stable planar front is maintained but its advancement is accelerated; (2) the shape of the unstable single-fingering front is maintained but its length is reduced; (3) the unstable double-fingering front is merged into an unstable single-fingering front; and (4) the shape of the unstable double-fingering front is preserved but its fingering length is reduced. A comparison between the behavior diagrams of dissolution front morphology (with and without considering mechanical dispersion) shows that the double-fingering front

  16. Chemical Kinetic Modeling of Biofuel Combustion

    Science.gov (United States)

    Sarathy, Subram Maniam

    Bioalcohols, such as bioethanol and biobutanol, are suitable replacements for gasoline, while biodiesel can replace petroleum diesel. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This study's contribution is experimentally validated chemical kinetic combustion mechanisms for biobutanol and biodiesel. Fundamental combustion data and chemical kinetic mechanisms are presented and discussed to improve our understanding of biofuel combustion. The net environmental impact of biobutanol (i.e., n-butanol) has not been studied extensively, so this study first assesses the sustainability of n-butanol derived from corn. The results indicate that technical advances in fuel production are required before commercializing biobutanol. The primary contribution of this research is new experimental data and a novel chemical kinetic mechanism for n-butanol combustion. The results indicate that under the given experimental conditions, n-butanol is consumed primarily via abstraction of hydrogen atoms to produce fuel radical molecules, which subsequently decompose to smaller hydrocarbon and oxygenated species. The hydroxyl moiety in n-butanol results in the direct production of the oxygenated species such as butanal, acetaldehyde, and formaldehyde. The formation of these compounds sequesters carbon from forming soot precursors, but they may introduce other adverse environmental and health effects. Biodiesel is a mixture of long chain fatty acid methyl esters derived from fats and oils. This research study presents high quality experimental data for one large fatty acid methyl ester, methyl decanoate, and models its combustion using an improved skeletal mechanism. The results indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which ultimately lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular

  17. Modeling Complex Chemical Systems: Problems and Solutions

    Science.gov (United States)

    van Dijk, Jan

    2016-09-01

    Non-equilibrium plasmas in complex gas mixtures are at the heart of numerous contemporary technologies. They typically contain dozens to hundreds of species, involved in hundreds to thousands of reactions. Chemists and physicists have always been interested in what are now called chemical reduction techniques (CRT's). The idea of such CRT's is that they reduce the number of species that need to be considered explicitly without compromising the validity of the model. This is usually achieved on the basis of an analysis of the reaction time scales of the system under study, which identifies species that are in partial equilibrium after a given time span. The first such CRT that has been widely used in plasma physics was developed in the 1960's and resulted in the concept of effective ionization and recombination rates. It was later generalized to systems in which multiple levels are effected by transport. In recent years there has been a renewed interest in tools for chemical reduction and reaction pathway analysis. An example of the latter is the PumpKin tool. Another trend is that techniques that have previously been developed in other fields of science are adapted as to be able to handle the plasma state of matter. Examples are the Intrinsic Low Dimension Manifold (ILDM) method and its derivatives, which originate from combustion engineering, and the general-purpose Principle Component Analysis (PCA) technique. In this contribution we will provide an overview of the most common reduction techniques, then critically assess the pros and cons of the methods that have gained most popularity in recent years. Examples will be provided for plasmas in argon and carbon dioxide.

  18. Topological evolution of virtual social networks by modeling social activities

    Science.gov (United States)

    Sun, Xin; Dong, Junyu; Tang, Ruichun; Xu, Mantao; Qi, Lin; Cai, Yang

    2015-09-01

    With the development of Internet and wireless communication, virtual social networks are becoming increasingly important in the formation of nowadays' social communities. Topological evolution model is foundational and critical for social network related researches. Up to present most of the related research experiments are carried out on artificial networks, however, a study of incorporating the actual social activities into the network topology model is ignored. This paper first formalizes two mathematical abstract concepts of hobbies search and friend recommendation to model the social actions people exhibit. Then a social activities based topology evolution simulation model is developed to satisfy some well-known properties that have been discovered in real-world social networks. Empirical results show that the proposed topology evolution model has embraced several key network topological properties of concern, which can be envisioned as signatures of real social networks.

  19. Hierarchical Model for the Evolution of Cloud Complexes

    CERN Document Server

    Sánchez, N; Sanchez, Nestor; Parravano, Antonio

    1999-01-01

    The structure of cloud complexes appears to be well described by a "tree structure" representation when the image is partitioned into "clouds". In this representation, the parent-child relationships are assigned according to containment. Based on this picture, a hierarchical model for the evolution of Cloud Complexes, including star formation, is constructed, that follows the mass evolution of each sub-structure by computing its mass exchange (evaporation or condensation) with its parent and children, which depends on the radiation density at the interphase. For the set of parameters used as a reference model, the system produces IMFs with a maximum at too high mass (~2 M_sun) and the characteristic times for evolution seem too long. We show that these properties can be improved by adjusting model parameters. However, the emphasis here is to illustrate some general properties of this nonlinear model for the star formation process. Notwithstanding the simplifications involved, the model reveals an essential fe...

  20. Jump diffusion models and the evolution of financial prices

    Energy Technology Data Exchange (ETDEWEB)

    Figueiredo, Annibal; Castro, Marcio T. de [Institute of Physics, University of Brasilia (Brazil); Silva, Sergio da [Department of Economics, Federal University of Santa Catarina (Brazil); Gleria, Iram, E-mail: iram@pq.cnpq.br [Institute of Physics, Federal University of Alagoas (Brazil)

    2011-08-08

    We analyze a stochastic model to describe the evolution of financial prices. We consider the stochastic term as a sum of the Wiener noise and a jump process. We point to the effects of the jumps on the return time evolution, a central concern of the econophysics literature. The presence of jumps suggests that the process can be described by an infinitely divisible characteristic function belonging to the De Finetti class. We then extend the De Finetti functions to a generalized nonlinear model and show the model to be capable of explaining return behavior. -- Highlights: → We analyze a stochastic model to describe the evolution of financial prices. → The stochastic term is considered as a sum of the Wiener noise and a jump process. → The process can be described by an infinitely divisible characteristic function belonging to the De Finetti class. → We extend the De Finetti functions to a generalized nonlinear model.

  1. Modeling the Microstructural Evolution During Constrained Sintering

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Frandsen, Henrik Lund; Pryds, Nini

    2015-01-01

    A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo model for free sintering with a finite element model (FEM) for calculating stresses on a microstructural level. The microstructural response to the local stress...

  2. Modeling the microstructural evolution during constrained sintering

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Frandsen, Henrik Lund; Pryds, Nini

    2014-01-01

    A numerical model able to simulate solid state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a microstructural level. The microstructural response to the local stress...

  3. Représentation chimique de la structure des kérogènes et des asphaltènes en fonction de leur origine et de leur degré d'évolution Chemical Modeling of the Structure of Kerogens and Asphaltenes As a Function of Their Origin and Evolution Stage

    Directory of Open Access Journals (Sweden)

    Behar F.

    2006-11-01

    Full Text Available Dans cet article nous proposons des modèles de structures chimiques de kérogènes et d'asphaltènes de roche. Nous avons choisi de représenter les kérogènes appartenant aux trois types classiques de matières organiques aux stades d'évolution suivants : - début de la diagenèse sensu-stricto; - début de la catagenèse (formation de l'huile; - fin de la catagenèse (formation du gaz. Les asphaltènes représentés correspondent à la phase de formation de l'huile. Nous avons tenu compte des données d'analyse obtenues sur des échantillons naturels : analyse élémentaire, microscopie électronique, RMN 13C, thermogravimétrie, analyse fonctionnelle, dégradation par pyrolyse. Afin d'obtenir une représentation chimique ayant une valeur statistique suffisante, nous avons choisi une masse moléculaire de 25 000 environ, identique pour les trois kérogènes au début de la diagenèse, et une masse de 8000 environ pour les asphaltènes associés. Nous avons ensuite dessiné à l'échelle moléculaire les structures correspondantes. This paper proposes models for the chemical structures of kerogens and asphaltenes from rocks. The kerogens belonging to the three conventional types of organic matter are represented in the following stages of evolution: (1 beginning of diagenesis sensu stricto,(2 beginning of catagenesis (formation of oil, and (3 end of catagenesis (formation of gas. The asphaltenes represented here correspond to the phase of oil formation. Models are based on analytical data obtained on natural samples, i. e. elemental analysis, electron microscopy, 13C NMR, thermogravimetry, functional analysis and pyrolysis. To get enough statistical value for the chemical modelling, a same molecular mass of about 25 000 was chosen for the three kerogens at the beginning of diagenesis. A molecular mass of about 8000 was chosen for the related asphaltenes. The chemical structures were then constructed at the molecular scale.

  4. Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries.

    Science.gov (United States)

    Lin, Feng; Markus, Isaac M; Nordlund, Dennis; Weng, Tsu-Chien; Asta, Mark D; Xin, Huolin L; Doeff, Marca M

    2014-03-27

    The present study sheds light on the long-standing challenges associated with high-voltage operation of LiNi(x)Mn(x)Co(1-2x)O2 cathode materials for lithium-ion batteries. Using correlated ensemble-averaged high-throughput X-ray absorption spectroscopy and spatially resolved electron microscopy and spectroscopy, here we report structural reconstruction (formation of a surface reduced layer, to transition) and chemical evolution (formation of a surface reaction layer) at the surface of LiNi(x)Mn(x)Co(1-2x)O2 particles. These are primarily responsible for the prevailing capacity fading and impedance buildup under high-voltage cycling conditions, as well as the first-cycle coulombic inefficiency. It was found that the surface reconstruction exhibits a strong anisotropic characteristic, which predominantly occurs along lithium diffusion channels. Furthermore, the surface reaction layer is composed of lithium fluoride embedded in a complex organic matrix. This work sets a refined example for the study of surface reconstruction and chemical evolution in battery materials using combined diagnostic tools at complementary length scales.

  5. ASTRO-H White Paper - Chemical Evolution in High-z Universe

    CERN Document Server

    Tashiro, M S; Ohno, M; Sameshima, H; Seta, H; Ueno, H; Nakagawa, T; Tamura, T; Paerels, F; Kawai, N

    2014-01-01

    In this paper, we demonstrate ASTRO-H's capability to measure the chemical evolution in the high-z (z <~ 3) universe by observing X-ray afterglows of gamma-ray bursts (GRBs) and distant Blazars. Utilizing these sources as background light sources, the excellent energy resolution of ASTRO-H/SXS allows us to detect emission and absorption features from heavy elements in the circumstellar material in the host galaxies, from the intergalactic medium (IGM) and in the ejecta of GRB explosions. In particular, we can constrain the existence of the warm-hot intergalactic material (WHIM), thought to contain most of the baryons at redshift of z < ~3, with a typical exposure of one day for a follow-up observation of a GRB afterglow or 300 ks exposure for several distant Blazars. In addition to the chemical evolution study, the combination of the SGD, HXI, SXI and SXS will measure, for the first time, the temporal behavior of the spectral continuum of GRB afterglows and Blazars over a broad energy range and short ti...

  6. The Cosmic Chemical Evolution as seen by the Brightest Events in the Universe

    CERN Document Server

    Savaglio, Sandra

    2009-01-01

    Gamma-ray bursts (GRBs) are the brightest events in the universe. They have been used in the last five years to study the cosmic chemical evolution, from the local universe to the first stars. The sample size is still relatively small when compared to field galaxy surveys. However, GRBs show a universe that is surprising. At z > 2, the cold interstellar medium in galaxies is chemically evolved, with a mean metallicity of about 1/10 solar. At lower redshift (z < 1), metallicities of the ionized gas are relatively low, on average 1/6 solar. Not only is there no evidence of redshift evolution in the interval 0 < z < 6.3, but also the dispersion in the ~ 30 objects is large. This suggests that the metallicity of host galaxies is not the physical quantity triggering GRB events. From the investigation of other galaxy parameters, it emerges that active star-formation might be a stronger requirement to produce a GRB. Several recent striking results strongly support the idea that GRB studies open a new view o...

  7. Modelling the evolution and diversity of cumulative culture.

    Science.gov (United States)

    Enquist, Magnus; Ghirlanda, Stefano; Eriksson, Kimmo

    2011-02-12

    Previous work on mathematical models of cultural evolution has mainly focused on the diffusion of simple cultural elements. However, a characteristic feature of human cultural evolution is the seemingly limitless appearance of new and increasingly complex cultural elements. Here, we develop a general modelling framework to study such cumulative processes, in which we assume that the appearance and disappearance of cultural elements are stochastic events that depend on the current state of culture. Five scenarios are explored: evolution of independent cultural elements, stepwise modification of elements, differentiation or combination of elements and systems of cultural elements. As one application of our framework, we study the evolution of cultural diversity (in time as well as between groups).

  8. The Gaia-ESO Survey: Sodium and aluminium abundances in giants and dwarfs - Implications for stellar and Galactic chemical evolution

    CERN Document Server

    Smiljanic, R; Bragaglia, A; Donati, P; Magrini, L; Friel, E; Jacobson, H; Randich, S; Ventura, P; Lind, K; Bergemann, M; Nordlander, T; Morel, T; Pancino, E; Tautvaisiene, G; Adibekyan, V; Tosi, M; Vallenari, A; Gilmore, G; Bensby, T; Francois, P; Koposov, S; Lanzafame, A C; Recio-Blanco, A; Bayo, A; Carraro, G; Casey, A R; Costado, M T; Franciosini, E; Heiter, U; Hill, V; Hourihane, A; Jofre, P; Lardo, C; de Laverny, P; Lewis, J; Monaco, L; Morbidelli, L; Sacco, G G; Sbordone, L; Sousa, S G; Worley, C C; Zaggia, S

    2016-01-01

    Stellar evolution models predict that internal mixing should cause some sodium overabundance at the surface of red giants more massive than ~ 1.5--2.0 Msun. The surface aluminium abundance should not be affected. Nevertheless, observational results disagree about the presence and/or the degree of the Na and Al overabundances. In addition, Galactic chemical evolution models adopting different stellar yields lead to quite different predictions for the behavior of [Na/Fe] and [Al/Fe] versus [Fe/H]. Overall, the observed trends of these abundances with metallicity are not well reproduced. We readdress both issues, using new Na and Al abundances determined within the Gaia-ESO Survey, using two samples: i) more than 600 dwarfs of the solar neighborhood and of open clusters and ii) low- and intermediate-mass clump giants in six open clusters. Abundances of Na in giants with mass below ~2.0 Msun, and of Al in giants below ~3.0 Msun, seem to be unaffected by internal mixing processes. For more massive giants, the Na o...

  9. Modeling the microstructural evolution during constrained sintering

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Frandsen, Henrik Lund; Tikare, V.;

    A numerical model able to simulate solid state constrained sintering of a powder compact is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element (FE) method for calculating stresses on a microstructural level. The microstructural response...

  10. Modeling the microstructural evolution during constrained sintering

    DEFF Research Database (Denmark)

    Bjørk, Rasmus; Frandsen, Henrik Lund; Pryds, Nini

    A mesoscale numerical model able to simulate solid state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element method for calculating stresses. The sintering behavior of a sample constrained by a rigid substrate...

  11. A last updating evolution model for online social networks

    Science.gov (United States)

    Bu, Zhan; Xia, Zhengyou; Wang, Jiandong; Zhang, Chengcui

    2013-05-01

    As information technology has advanced, people are turning to electronic media more frequently for communication, and social relationships are increasingly found on online channels. However, there is very limited knowledge about the actual evolution of the online social networks. In this paper, we propose and study a novel evolution network model with the new concept of “last updating time”, which exists in many real-life online social networks. The last updating evolution network model can maintain the robustness of scale-free networks and can improve the network reliance against intentional attacks. What is more, we also found that it has the “small-world effect”, which is the inherent property of most social networks. Simulation experiment based on this model show that the results and the real-life data are consistent, which means that our model is valid.

  12. Modelling of nonlinear shoaling based on stochastic evolution equations

    DEFF Research Database (Denmark)

    Kofoed-Hansen, Henrik; Rasmussen, Jørgen Hvenekær

    1998-01-01

    A one-dimensional stochastic model is derived to simulate the transformation of wave spectra in shallow water including generation of bound sub- and super-harmonics, near-resonant triad wave interaction and wave breaking. Boussinesq type equations with improved linear dispersion characteristics...... are recast into evolution equations for the complex amplitudes, and serve as the underlying deterministic model. Next, a set of evolution equations for the cumulants is derived. By formally introducing the well-known Gaussian closure hypothesis, nonlinear evolution equations for the power spectrum...... and bispectrum are derived. A simple description of depth-induced wave breaking is incorporated in the model equations, assuming that the total rate of dissipation may be distributed in proportion to the spectral energy density on each discrete frequency. The proposed phase-averaged model is compared...

  13. Modeling deuterium fractionation in cold and warm molecular environments with large chemical networks

    CERN Document Server

    Albertsson, T; Henning, Th

    2013-01-01

    Observations of deuterated species have long proven essential to probe properties and thermal history of various astrophysical environments. We present an elaborated chemical model that includes tens of thousands of reactions with multi-deuterated species, both gas-phase and surface, in which the most recent information on deuterium chemistry is implemented. A detailed study of the chemical evolution under wide range of temperatures and densities typical of cold molecular cores, warm protostellar envelopes, and hot cores/corinos is performed. We consider two cases of initial abundances, with 1) mainly atomic composition and all deuterium locked in HD, and 2) molecular abundances accumulated at 1 Myr of the evolution of a cold prestellar core. We indicate deuterated species that are particularly sensitive to temperature gradients and initial chemical composition. Many multiply-deuterated species produced at 10 K by exothermic ion-molecule chemistry retain large abundances even when temperature rises above 100 ...

  14. Evolution of states in a continuum migration model

    Science.gov (United States)

    Kondratiev, Yuri; Kozitsky, Yuri

    2017-03-01

    The Markov evolution of states of a continuum migration model is studied. The model describes an infinite system of entities placed in R^d in which the constituents appear (immigrate) with rate b(x) and disappear, also due to competition. For this model, we prove the existence of the evolution of states μ _0 mapsto μ _t such that the moments μ _t(N_Λ ^n) , nin N, of the number of entities in compact Λ subset R^d remain bounded for all t>0 . Under an additional condition, we prove that the density of entities and the second correlation function remain point-wise bounded globally in time.

  15. Jump diffusion models and the evolution of financial prices

    Science.gov (United States)

    Figueiredo, Annibal; de Castro, Marcio T.; da Silva, Sergio; Gleria, Iram

    2011-08-01

    We analyze a stochastic model to describe the evolution of financial prices. We consider the stochastic term as a sum of the Wiener noise and a jump process. We point to the effects of the jumps on the return time evolution, a central concern of the econophysics literature. The presence of jumps suggests that the process can be described by an infinitely divisible characteristic function belonging to the De Finetti class. We then extend the De Finetti functions to a generalized nonlinear model and show the model to be capable of explaining return behavior.

  16. GREENSCOPE: A Method for Modeling Chemical Process ...

    Science.gov (United States)

    Current work within the U.S. Environmental Protection Agency’s National Risk Management Research Laboratory is focused on the development of a method for modeling chemical process sustainability. The GREENSCOPE methodology, defined for the four bases of Environment, Economics, Efficiency, and Energy, can evaluate processes with over a hundred different indicators. These indicators provide a means for realizing the principles of green chemistry and green engineering in the context of sustainability. Development of the methodology has centered around three focal points. One is a taxonomy of impacts that describe the indicators and provide absolute scales for their evaluation. The setting of best and worst limits for the indicators allows the user to know the status of the process under study in relation to understood values. Thus, existing or imagined processes can be evaluated according to their relative indicator scores, and process modifications can strive towards realizable targets. A second area of focus is in advancing definitions of data needs for the many indicators of the taxonomy. Each of the indicators has specific data that is necessary for their calculation. Values needed and data sources have been identified. These needs can be mapped according to the information source (e.g., input stream, output stream, external data, etc.) for each of the bases. The user can visualize data-indicator relationships on the way to choosing selected ones for evalua

  17. Multidimensional thermal-chemical cookoff modeling

    Energy Technology Data Exchange (ETDEWEB)

    Baer, M.R.; Gross, R.J.; Gartling, D.K.; Hobbs, M.L.

    1994-08-01

    Multidimensional thermal/chemical modeling is an essential step in the development of a predictive capability for cookoff of energetic materials in systems subjected to abnormal thermal environments. COYOTE II is a state-of-the-art two- and three-dimensional finite element code for the solution of heat conduction problems including surface-to-surface thermal radiation heat transfer and decomposition chemistry. Multistep finite rate chemistry is incorporated into COYOTE II using an operator-splitting methodology; rate equations are solved element-by-element with a modified matrix-free stiff solver, CHEMEQ. COYOTE II is purposely designed with a user-oriented input structure compatible with the database, the pre-processing mesh generation, and the post-processing tools for data visualization shared with other engineering analysis codes available at Sandia National Laboratories. As demonstrated in a companion paper, decomposition during cookoff in a confined or semi-confined system leads to significant mechanical behavior. Although mechanical effect are not presently considered in COYOTE II, the formalism for including mechanics in multidimensions is under development.

  18. Evolution of chemical composition of fogwater in winter in Chengdu, China

    Institute of Scientific and Technical Information of China (English)

    Hongling Yin; Zhixiang Ye; Yingchun Yang; Wei Yuan; Changyan Qiu; Huawei Yuan; Min Wang

    2013-01-01

    Two sampling sites representing the urban and suburban area of Chengdu,China were sampled and analyzed for selected chemicals to characterize the evolution of the chemical composition of fogwater.A trend of total organic carbon (TOC) > total nitrogen (TN) >total inorganic carbon (TIC) was observed for both sites.Variation of inorganic ions indicated that inorganic pollutants were not accumulated in the fog.Concentrations of n-alkanes (Cll-C37) at the urban site ranged from 7.58 to 27.75 ng/mL while at the suburban site concentrations were 2.57-21.55 ng/mL.The highest concentration of n-alkanes was observed in the mature period of fog (393.12 ng/mL) which was more than ten times that in the fog formation period (27.83 ng/mL) and the fog dissipation period (14.87 ng/mL).Concentrations ofΣ15PAHs were in the range of 7.27-38.52 ng/mL at the urban site and 2.59-22.69 ng/mL at the suburban site.Contents of PAHs in the mature period of fog (27.15 ng/mL) > fog dissipation period (11.59 ng/mL) > fog formation period (6.42 ng/mL).Concentrations of dicarboxylic acids (C5-C9) ranged from 10.92 to 40.78 ng/mL,with glutaric acid (C5) as the dominant dicarboxylic acid.These data provide strong indications of the accumulation of certain organic chemicals of environmental concern in fog and fog water,and provide additional insights about processes in urban and suburban air acting on organic chemicals with similar physical chemical properties.

  19. The chemical transport model Oslo CTM3

    Directory of Open Access Journals (Sweden)

    O. A. Søvde

    2012-06-01

    Full Text Available We present here the global chemical transport model Oslo CTM3, an update of the Oslo CTM2. The update comprises a faster transport scheme, an improved wet scavenging scheme for large scale rain, updated photolysis rates and a new lightning parameterization. Oslo CTM3 is better parallelized and allows for stable, large time steps for advection, enabling more complex or high resolution simulations. Thorough comparisons between the Oslo CTM3, Oslo CTM2 and measurements are performed, and in general the Oslo CTM3 is found to reproduce measurements well. Inclusion of tropospheric sulfur chemistry and nitrate aerosols in CTM3 is shown to be important to reproduce tropospheric O3, OH and the CH4 lifetime well. Using the same meteorology to drive the two models, shows that some features related to transport are better resolved by the CTM3, such as polar cap transport, while features like transport close to the vortex edge are resolved better in the Oslo CTM2 due to its required shorter transport time step. The longer transport time steps in CTM3 result in larger errors e.g. near the jets, and when necessary, this can be remedied by using a shorter time step. An additional, more accurate and time consuming, treatment of polar cap transport is presented, however, both perform acceptably. A new treatment of the horizontal distribution of lightning is presented and found to compare well with measurements. Vertical distributions of lighting are updated, and tested against the old vertical distribution. The new profiles are found to produce more NOx in the tropical middle troposphere, and less at the surface and at high altitudes.

  20. Modeling release of chemicals from multilayer materials into food

    Directory of Open Access Journals (Sweden)

    Huang Xiu-Ling

    2016-01-01

    Full Text Available The migration of chemicals from materials into food is predictable by various mathematical models. In this article, a general mathematical model is developed to quantify the release of chemicals through multilayer packaging films based on Fick's diffusion. The model is solved numerically to elucidate the effects of different diffusivity values of different layers, distribution of chemical between two adjacent layers and between material and food, mass transfer at the interface of material and food on the migration process.

  1. Evaluating choices in multi-process landscape evolution models

    NARCIS (Netherlands)

    Temme, A.J.A.M.; Claessens, L.; Veldkamp, A.; Schoorl, J.M.

    2011-01-01

    The interest in landscape evolution models (LEMs) that simulate multiple landscape processes is growing. However, modelling multiple processes constitutes a new starting point for which some aspects of the set up of LEMs must be re-evaluated. The objective of this paper is to demonstrate the practic

  2. Optimality models in the age of experimental evolution and genomics.

    Science.gov (United States)

    Bull, J J; Wang, I-N

    2010-09-01

    Optimality models have been used to predict evolution of many properties of organisms. They typically neglect genetic details, whether by necessity or design. This omission is a common source of criticism, and although this limitation of optimality is widely acknowledged, it has mostly been defended rather than evaluated for its impact. Experimental adaptation of model organisms provides a new arena for testing optimality models and for simultaneously integrating genetics. First, an experimental context with a well-researched organism allows dissection of the evolutionary process to identify causes of model failure--whether the model is wrong about genetics or selection. Second, optimality models provide a meaningful context for the process and mechanics of evolution, and thus may be used to elicit realistic genetic bases of adaptation--an especially useful augmentation to well-researched genetic systems. A few studies of microbes have begun to pioneer this new direction. Incompatibility between the assumed and actual genetics has been demonstrated to be the cause of model failure in some cases. More interestingly, evolution at the phenotypic level has sometimes matched prediction even though the adaptive mutations defy mechanisms established by decades of classic genetic studies. Integration of experimental evolutionary tests with genetics heralds a new wave for optimality models and their extensions that does not merely emphasize the forces driving evolution.

  3. The Evolution of Galaxy Clustering in Hierarchical Models

    OpenAIRE

    1999-01-01

    The main ingredients of recent semi-analytic models of galaxy formation are summarised. We present predictions for the galaxy clustering properties of a well specified LCDM model whose parameters are constrained by observed local galaxy properties. We present preliminary predictions for evolution of clustering that can be probed with deep pencil beam surveys.

  4. Modeling Electric Double-Layers Including Chemical Reaction Effects

    DEFF Research Database (Denmark)

    Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

    2014-01-01

    A physicochemical and numerical model for the transient formation of an electric double-layer between an electrolyte and a chemically-active flat surface is presented, based on a finite elements integration of the nonlinear Nernst-Planck-Poisson model including chemical reactions. The model works...

  5. Nutrient-dependent/pheromone-controlled adaptive evolution: a model

    Directory of Open Access Journals (Sweden)

    James Vaughn Kohl

    2013-06-01

    Full Text Available Background: The prenatal migration of gonadotropin-releasing hormone (GnRH neurosecretory neurons allows nutrients and human pheromones to alter GnRH pulsatility, which modulates the concurrent maturation of the neuroendocrine, reproductive, and central nervous systems, thus influencing the development of ingestive behavior, reproductive sexual behavior, and other behaviors. Methods: This model details how chemical ecology drives adaptive evolution via: (1 ecological niche construction, (2 social niche construction, (3 neurogenic niche construction, and (4 socio-cognitive niche construction. This model exemplifies the epigenetic effects of olfactory/pheromonal conditioning, which alters genetically predisposed, nutrient-dependent, hormone-driven mammalian behavior and choices for pheromones that control reproduction via their effects on luteinizing hormone (LH and systems biology. Results: Nutrients are metabolized to pheromones that condition behavior in the same way that food odors condition behavior associated with food preferences. The epigenetic effects of olfactory/pheromonal input calibrate and standardize molecular mechanisms for genetically predisposed receptor-mediated changes in intracellular signaling and stochastic gene expression in GnRH neurosecretory neurons of brain tissue. For example, glucose and pheromones alter the hypothalamic secretion of GnRH and LH. A form of GnRH associated with sexual orientation in yeasts links control of the feedback loops and developmental processes required for nutrient acquisition, movement, reproduction, and the diversification of species from microbes to man. Conclusion: An environmental drive evolved from that of nutrient ingestion in unicellular organisms to that of pheromone-controlled socialization in insects. In mammals, food odors and pheromones cause changes in hormones such as LH, which has developmental affects on pheromone-controlled sexual behavior in nutrient-dependent reproductively

  6. Evolution of metastasis revealed by mutational landscapes of chemically induced skin cancers | Office of Cancer Genomics

    Science.gov (United States)

    Human tumors show a high level of genetic heterogeneity, but the processes that influence the timing and route of metastatic dissemination of the subclones are unknown. Here we have used whole-exome sequencing of 103 matched benign, malignant and metastatic skin tumors from genetically heterogeneous mice to demonstrate that most metastases disseminate synchronously from the primary tumor, supporting parallel rather than linear evolution as the predominant model of metastasis.

  7. Modelling evolution in a spatial continuum

    Science.gov (United States)

    Barton, N. H.; Etheridge, A. M.; Véber, A.

    2013-01-01

    We survey a class of models for spatially structured populations which we have called spatial Λ-Fleming-Viot processes. They arise from a flexible framework for modelling in which the key innovation is that random genetic drift is driven by a Poisson point process of spatial 'events'. We demonstrate how this overcomes some of the obstructions to modelling populations which evolve in two-(and higher-) dimensional spatial continua, how its predictions match phenomena observed in data and how it fits with classical models. Finally we outline some directions for future research.

  8. The Composition of the Sagittarius Dwarf Spheroidal Galaxy and Implications for Nucleosynthesis and Chemical Evolution

    CERN Document Server

    McWilliam, A; William, Andrew Mc; Smecker-Hane, Tammy A.

    2004-01-01

    We outline the results of a study of the chemical composition of 14 stars in the Sagittarius dwarf spheroidal galaxy (Sgr dSph). For the Sgr dSph stars with [Fe/H]>-1 the abundances are highly unusual, showing a striking enhancement in heavy s-process elements, increasing with [Fe/H], deficiencies of the alpha- elements (O, Si, Ca, and Ti), deficiencies of Al and Na, and deficiencies of the iron-peak elements Mn and Cu. Our abundances suggest that the composition of the metal-rich Sgr dSph stars is dominated by the ejecta of an old, metal-poor population, including products of AGB stars and type Ia supernovae (SN). We suggest two scenarios to explain the observations: Prolonged chemical evolution in a galaxy experiencing significant mass-loss, and chemical enrichment with episodic bursts of star formation. The Galactic globular cluster Omega Cen, and the Fornax dwarf galaxy show similar abundance patterns, which suggests that those systems evolved similar to the Sgr dSph.

  9. Marine and terrestrial herbivores display convergent chemical ecology despite 400 million years of independent evolution.

    Science.gov (United States)

    Rasher, Douglas B; Stout, E Paige; Engel, Sebastian; Shearer, Tonya L; Kubanek, Julia; Hay, Mark E

    2015-09-29

    Chemical cues regulate key ecological interactions in marine and terrestrial ecosystems. They are particularly important in terrestrial plant-herbivore interactions, where they mediate both herbivore foraging and plant defense. Although well described for terrestrial interactions, the identity and ecological importance of herbivore foraging cues in marine ecosystems remain unknown. Here we show that the specialist gastropod Elysia tuca hunts its seaweed prey, Halimeda incrassata, by tracking 4-hydroxybenzoic acid to find vegetative prey and the defensive metabolite halimedatetraacetate to find reproductive prey. Foraging cues were predicted to be polar compounds but instead were nonpolar secondary metabolites similar to those used by specialist terrestrial insects. Tracking halimedatetraacetate enables Elysia to increase in abundance by 12- to 18-fold on reproductive Halimeda, despite reproduction in Halimeda being rare and lasting for only ∼36 h. Elysia swarm to reproductive Halimeda where they consume the alga's gametes, which are resource rich but are chemically defended from most consumers. Elysia sequester functional chloroplasts and halimedatetraacetate from Halimeda to become photosynthetic and chemically defended. Feeding by Elysia suppresses the growth of vegetative Halimeda by ∼50%. Halimeda responds by dropping branches occupied by Elysia, apparently to prevent fungal infection associated with Elysia feeding. Elysia is remarkably similar to some terrestrial insects, not only in its hunting strategy, but also its feeding method, defense tactics, and effects on prey behavior and performance. Such striking parallels indicate that specialist herbivores in marine and terrestrial systems can evolve convergent ecological strategies despite 400 million years of independent evolution in vastly different habitats.

  10. Setting the volatile composition of (exo)planet-building material. Does chemical evolution in disk midplanes matter?

    Science.gov (United States)

    Eistrup, Christian; Walsh, Catherine; van Dishoeck, Ewine F.

    2016-11-01

    Context. The atmospheres of extrasolar planets are thought to be built largely through accretion of pebbles and planetesimals. Such pebbles are also the building blocks of comets. The chemical composition of their volatiles are usually taken to be inherited from the ices in the collapsing cloud. However, chemistry in the protoplanetary disk midplane can modify the composition of ices and gases. Aims: To investigate if and how chemical evolution affects the abundances and distributions of key volatile species in the midplane of a protoplanetary disk in the 0.2-30 AU range. Methods: A disk model used in planet population synthesis models is adopted, providing temperature, density and ionisation rate at different radial distances in the disk midplane. A full chemical network including gas-phase, gas-grain interactions and grain-surface chemistry is used to evolve chemistry in time, for 1 Myr. Both molecular (inheritance from the parent cloud) and atomic (chemical reset) initial conditions are investigated. Results: Great diversity is observed in the relative abundance ratios of the main considered species: H2O, CO, CO2, CH4, O2, NH3 and N2. The choice of ionisation level, the choice of initial abundances, as well as the extent of chemical reaction types included are all factors that affect the chemical evolution. The only exception is the inheritance scenario with a low ionisation level, which results in negligible changes compared with the initial abundances, regardless of whether or not grain-surface chemistry is included. The grain temperature plays an important role, especially in the critical 20-28 K region where atomic H no longer sticks long enough to the surface to react, but atomic O does. Above 28 K, efficient grain-surface production of CO2 ice is seen, as well as O2 gas and ice under certain conditions, at the expense of H2O and CO. H2O ice is produced on grain surfaces only below 28 K. For high ionisation levels at intermediate disk radii, CH4 gas is

  11. On the General Class of Models of Adiabatic Evolution

    Science.gov (United States)

    Sun, Jie; Lu, Songfeng; Liu, Fang

    2016-10-01

    The general class of models of adiabatic evolution was proposed to speed up the usual adiabatic computation in the case of quantum search problem. It was shown [8] that, by temporarily increasing the ground state energy of a time-dependent Hamiltonian to a suitable quantity, the quantum computation can perform the calculation in time complexity O(1). But it is also known that if the overlap between the initial and final states of the system is zero, then the computation based on the generalized models of adiabatic evolution can break down completely. In this paper, we find another severe limitation for this class of adiabatic evolution-based algorithms, which should be taken into account in applications. That is, it is still possible that this kind of evolution designed to deal with the quantum search problem fails completely if the interpolating paths in the system Hamiltonian are chosen inappropriately, while the usual adiabatic evolutions can do the same job relatively effectively. This implies that it is not always recommendable to use nonlinear paths in adiabatic computation. On the contrary, the usual simple adiabatic evolution may be sufficient for effective use.

  12. A chemical and petrological model of the lunar crust

    Science.gov (United States)

    Spudis, Paul D.; Davis, Philip A.

    1987-01-01

    Information is given on the composition and structure of the lunar crust. A lunar model is illustrated, indicating that it has essentially two layers, anorthositic mixed rocks overlaying a generally noritic crystalline basement. Implications relative to lunar evolution are discussed.

  13. Chemical Leasing business models and corporate social responsibility.

    Science.gov (United States)

    Moser, Frank; Jakl, Thomas; Joas, Reihard; Dondi, Francesco

    2014-11-01

    Chemical Leasing is a service-oriented business model that shifts the focus from increasing sales volume of chemicals towards a value-added approach. Recent pilot projects have shown the economic benefits of introducing Chemical Leasing business models in a broad range of sectors. A decade after its introduction, the promotion of Chemical Leasing is still predominantly done by the public sector and international organizations. We show in this paper that awareness-raising activities to disseminate information on this innovative business model mainly focus on the economic benefits. We argue that selling Chemical Leasing business models solely on the grounds of economic and ecological considerations falls short of branding it as a corporate social responsibility initiative, which, for this paper, is defined as a stakeholder-oriented concept that extends beyond the organization's boundaries and is driven by an ethical understanding of the organization's responsibility for the impact of its business activities. For the analysis of Chemical Leasing business models, we introduce two case studies from the water purification and metal degreasing fields, focusing on employees and local communities as two specific stakeholder groups of the company introducing Chemical Leasing. The paper seeks to demonstrate that Chemical Leasing business models can be branded as a corporate social responsibility initiative by outlining the vast potential of Chemical Leasing to improve occupational health and safety and to strengthen the ability of companies to protect the environment from the adverse effects of the chemicals they apply.

  14. Continuous "in vitro" Evolution of a Ribozyme Ligase: A Model Experiment for the Evolution of a Biomolecule

    Science.gov (United States)

    Ledbetter, Michael P.; Hwang, Tony W.; Stovall, Gwendolyn M.; Ellington, Andrew D.

    2013-01-01

    Evolution is a defining criterion of life and is central to understanding biological systems. However, the timescale of evolutionary shifts in phenotype limits most classroom evolution experiments to simple probability simulations. "In vitro" directed evolution (IVDE) frequently serves as a model system for the study of Darwinian…

  15. Detecting Character Dependencies in Stochastic Models of Evolution.

    Science.gov (United States)

    Chakrabarty, Deeparnab; Kannan, Sampath; Tian, Kevin

    2016-03-01

    Stochastic models of biological evolution generally assume that different characters (runs of the stochastic process) are independent and identically distributed. In this article we determine the asymptotic complexity of detecting dependence for some fairly general models of evolution, but simple models of dependence. A key difference from much of the previous work is that our algorithms work without knowledge of the tree topology. Specifically, we consider various stochastic models of evolution ranging from the common ones used by biologists (such as Cavender-Farris-Neyman and Jukes-Cantor models) to very general ones where evolution of different characters can be governed by different transition matrices on each edge of the evolutionary tree (phylogeny). We also consider several models of dependence between two characters. In the most specific model, on each edge of the phylogeny the joint distribution of the dependent characters undergoes a perturbation of a fixed magnitude, in a fixed direction from what it would be if the characters were evolving independently. More general dependence models don't require such a strong "signal." Instead they only require that on each edge, the perturbation of the joint distribution has a significant component in a specific direction. Our main results are nearly tight bounds on the induced or operator norm of the transition matrices that would allow us to detect dependence efficiently for most models of evolution and dependence that we consider. We make essential use of a new concentration result for multistate random variables of a Markov random field on arbitrary trivalent trees: We show that the random variable counting the number of leaves in any particular state has variance that is subquadratic in the number of leaves.

  16. Neutral evolution: A null model for language dynamics

    CERN Document Server

    Blythe, R A

    2011-01-01

    We review the task of aligning simple models for language dynamics with relevant empirical data, motivated by the fact that this is rarely attempted in practice despite an abundance of abstract models. We propose that one way to meet this challenge is through the careful construction of null models. We argue in particular that rejection of a null model must have important consequences for theories about language dynamics if modelling is truly to be worthwhile. Our main claim is that the stochastic process of neutral evolution (also known as genetic drift or random copying) is a viable null model for language dynamics. We survey empirical evidence in favour and against neutral evolution as a mechanism behind historical language changes, highlighting the theoretical implications in each case.

  17. A chemical model of meteoric ablation

    Directory of Open Access Journals (Sweden)

    T. Vondrak

    2008-07-01

    Full Text Available Most of the extraterrestrial dust entering the Earth's atmosphere ablates to produce metal vapours, which have significant effects on the aeronomy of the upper mesosphere and lower thermosphere. A new Chemical Ablation Model (CAMOD is described which treats the physics and chemistry of ablation, by including the following processes: sputtering by inelastic collisions with air molecules before the meteoroid melts; evaporation of atoms and oxides from the molten particle; diffusion-controlled migration of the volatile constituents (Na and K through the molten particle; and impact ionization of the ablated fragments by hyperthermal collisions with air molecules. Evaporation is based on thermodynamic equilibrium in the molten meteoroid (treated as a melt of metal oxides, and between the particle and surrounding vapour phase. The loss rate of each element is then determined assuming Langmuir evaporation. CAMOD successfully predicts the meteor head echo appearance heights, observed from incoherent scatter radars, over a wide range of meteoroid velocities. The model also confirms that differential ablation explains common-volume lidar observations of K, Ca and Ca+ in fresh meteor trails. CAMOD is then used to calculate the injection rates into the atmosphere of a variety of elements as a function of altitude, integrated over the meteoroid mass and velocity distributions. The most abundant elements (Fe, Mg and Si have peak injection rates around 85 km, with Na and K about 8 km higher. The more refractory element Ca ablates around 82 km with a Na:Ca ratio of 4:1, which does therefore not explain the depletion of atomic Ca to Na, by more than 2 orders of magnitude, in the upper mesosphere. Diffusion of the most volatile elements (Na and K does not appear to be rate-limiting except in the fastest meteoroids. Non-thermal sputtering causes ~35% mass loss from the fastest (~60–70 km s−1 and smallest (10−17–10

  18. A chemical model of meteoric ablation

    Directory of Open Access Journals (Sweden)

    T. Vondrak

    2008-12-01

    Full Text Available Most of the extraterrestrial dust entering the Earth's atmosphere ablates to produce metal vapours, which have significant effects on the aeronomy of the upper mesosphere and lower thermosphere. A new Chemical Ablation Model (CAMOD is described which treats the physics and chemistry of ablation, by including the following processes: sputtering by inelastic collisions with air molecules before the meteoroid melts; evaporation of atoms and oxides from the molten particle; diffusion-controlled migration of the volatile constituents (Na and K through the molten particle; and impact ionization of the ablated fragments by hyperthermal collisions with air molecules. Evaporation is based on thermodynamic equilibrium in the molten meteoroid (treated as a melt of metal oxides, and between the particle and surrounding vapour phase. The loss rate of each element is then determined assuming Langmuir evaporation. CAMOD successfully predicts the meteor head echo appearance heights, observed from incoherent scatter radars, over a wide range of meteoroid velocities. The model also confirms that differential ablation explains common-volume lidar observations of K, Ca and Ca+ in fresh meteor trails. CAMOD is then used to calculate the injection rates into the atmosphere of a variety of elements as a function of altitude, integrated over the meteoroid mass and velocity distributions. The most abundant elements (Fe, Mg and Si have peak injection rates around 85 km, with Na and K about 8 km higher. The more refractory element Ca ablates around 82 km with a Na:Ca ratio of 4:1, which does therefore not explain the depletion of atomic Ca to Na, by more than 2 orders of magnitude, in the upper mesosphere. Diffusion of the most volatile elements (Na and K does not appear to be rate-limiting except in the fastest meteoroids. Non-thermal sputtering causes ~35% mass loss from the fastest (~60–70 km s−1 and smallest (10−17–10

  19. From wind to superwind - The evolution of mass-loss rates for Mira models

    Science.gov (United States)

    Bowen, G. H.; Willson, L. A.

    1991-01-01

    Dynamical atmosphere models were calculated for a large grid of variables with Mira-like properties satisfying the Iben radius-luminosity-mass relationship for evolving AGB stars. Their masses ranged from 0.7 to 2.4 solar masses, and their periods from 150 to 800 days. All were fundamental-mode pulsators, had solar metallicity, and included effects of dust. The mass-loss rate increases as an approximately exponential function of time, reaching 0.00001-0.0001 solar masses/yr. Further evolution is dominated by the powerful wind, which strips the star's envelope from the core. This 'superwind', a remarkably robust effect, occurs for all initial stellar masses and all modeling parameters that have been tested. Models with very low metallicity also show the effect, but at higher luminosities, which has intriguing implications for the number of supernovae in early low-metallicity populations and for the chemical evolution of galaxies.

  20. Nanoscale Chemical Evolution of Silicon Negative Electrodes Characterized by Low-Loss STEM-EELS

    CERN Document Server

    Boniface, Maxime; Danet, Julien; Guyomard, Dominique; Moreau, Philippe; Bayle-Guillemaud, Pascale

    2016-01-01

    Continuous solid electrolyte interface (SEI) formation remains the limiting factor of the lifetime of silicon nanoparticles (SiNPs) based negative electrodes. Methods that could provide clear diagnosis of the electrode degradation are of utmost necessity to streamline further developments. We demonstrate that electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) can be used to quickly map SEI components and quantify LixSi alloys from single experiments, with resolutions down to 5 nm. Exploiting the low-loss part of the EEL spectrum allowed us to circumvent the degradation phenomena that have so far crippled the application of this technique on such beam-sensitive compounds. Our results provide unprecedented insight into silicon aging mechanisms in full cell configuration. We observe the morphology of the SEI to be extremely heterogeneous at the particle scale but with clear chemical evolutions with extended cycling coming from both SEI accumulation and a transition fro...

  1. Evolution analysis of the states of the EZ model

    Institute of Scientific and Technical Information of China (English)

    Chen Qing-Hua; Ding Yi-Ming; Dong Hong-Guang

    2009-01-01

    Based on suitable choice of states,this paper studies the stability of the equilibrium state of the EZ model by regarding the evolution of the EZ model as a Markov chain and by showing that the Markov chain is ergodic.The Markov analysis is applied to the EZ model with small number of agents,the exact equilibrium state for N=5 and numerical results for N=18 are obtained.

  2. Modeling microstructural evolution of multiple texture components during recrystallization

    DEFF Research Database (Denmark)

    Vandermeer, R.A.; Juul Jensen, D.

    1994-01-01

    using stereological point and lineal measurements of microstructural properties in combination with EBSP analysis for orientation determinations. The potential of the models to describe the observed recrystallization behavior of heavily cold-rolled commercial aluminum was demonstrated. A successful MPM......Models were formulated in an effort to characterize recrystallization in materials with multiple texture components. The models are based on a microstructural path methodology (MPM). Experimentally the microstructural evolution of conmmercial aluminum during recrystallization was characterized...

  3. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    Impact assessment of chemical compounds in Life Cycle Impact Assessment (LCIA) and Environmental Risk Assessment (ERA) requires a vast amount of data on the properties of the chemical compounds being assessed. These data are used in multi-media fate and exposure models, to calculate risk levels...... in an approximate way. The idea is that not all data needed in a multi-media fate and exposure model are completely independent and equally important, but that there are physical-chemical and biological relationships between sets of chemical properties. A statistical model is constructed to underpin this assumption...

  4. Evolution of limestone fracture permeability under coupled thermal, hydrologi-cal, mechanical, and chemical conditions

    Institute of Scientific and Technical Information of China (English)

    李凤滨; 盛金昌; 詹美礼; 徐力猛; 吴强; 贾春兰

    2014-01-01

    The effect of temperature on the rock fracture permeability is a very important factor in the prediction of the permeability of enhanced geothermal systems and in reservoir engineering. In this study, the flow-through experiments were conducted on a single limestone fracture at different temperatures of 25oC, 40oC and 60oC, and with differential pressures of 0.3 MPa and 0.4 MPa. The experimental results suggest a complex temporal evolution of the fracture aperture. The aperture increases considerably with increasing temperature and reduces gradually to a steady value at a stable temperature. The results of three short-term experiments (QT-1, QT-2, QT-3) indicate an exponential relationship between the permeability and the temperature change ratio (DT/T ) , which provides a further evidence that the rising temperature increases the aperture. It is shown that the changing temperature has its influence on two possible accounts:the chemical dissolution and the pressure dissolution. These two processes have opposite impacts on the fracture permeability. The chemical dissolution increases the permeability with a rising temperature while the pressure disso-lution reduces the permeability with a stable temperature. These make a very complex picture of the permeability evolution. Our results show that the fracture permeability reduces 39.2%when the temperature increases by 15oC (during the 25oC-40 C interval) and 42.6% when the temperature increases by 20oC (during the 40oC-60oC interval). It can be concluded that the permeability decreases to a greater extent for larger increases in temperature.

  5. Partial melting in one-plate planets: Implications for thermo-chemical and atmospheric evolution

    Science.gov (United States)

    Plesa, A.-C.; Breuer, D.

    2014-08-01

    In the present work, we investigate the influence of partial melting on mantle dynamics, crustal formation, and volcanic outgassing of a one-plate planet using a 2D mantle convection code. When melt is extracted to form crust, the mantle material left behind is more buoyant than its parent material and depleted in radioactive heat sources. The extracted heat-producing elements are then enriched in the crust, which also has an insulating effect due to its lower thermal conductivity compared to the mantle. In addition, partial melting can influence the mantle rheology through the dehydration (water depletion) of the mantle material by volcanic outgassing. As a consequence, the viscosity of water-depleted regions increases more than two orders of magnitude compared to water-saturated rocks resulting in slower cooling rates. The most important parameter influencing the thermo-chemical evolution is the assumed density difference between the primitive and the depleted mantle material (i.e., between peridotite and harzburgite). With small or negligible values of compositional buoyancy, crustal formation including crustal delamination is very efficient, also resulting in efficient processing and degassing of the mantle. The convecting mantle below the stagnant lid depletes continuously with time. In contrast, with increasing compositional buoyancy, crustal formation and mantle degassing are strongly suppressed although partial melting is substantially prolonged in the thermal evolution. The crust shows strong lateral variations in thickness, and crustal delamination is reduced and occurs only locally. Furthermore, two to four different mantle reservoirs can form depending on the initial temperature distribution. Two of these reservoirs can be sustained during the entire evolution - a scenario possibly valid for Mars as it may explain the isotope characteristic of the Martian meteorites.

  6. Development of regionalized multimedia chemical fate models for China

    OpenAIRE

    Zhu, Ying; Jones, Kevin; Sweetman, Andrew; Price, Oliver; Tao, Shu

    2016-01-01

    To balance the economic development with environmental safety and human health, China has released chemicals management legislation for which chemical prioritization and risk assessment are key issues. To support these ambitions two versions of an environmental fate and behaviour model SESAMe (Sino Evaluative Simplebox-MAMI models), have been developed with different resolutions and structures in this thesis. SESAMe is applied to hypothetical chemicals to investigate the influence of environm...

  7. Formal modeling of a system of chemical reactions under uncertainty.

    Science.gov (United States)

    Ghosh, Krishnendu; Schlipf, John

    2014-10-01

    We describe a novel formalism representing a system of chemical reactions, with imprecise rates of reactions and concentrations of chemicals, and describe a model reduction method, pruning, based on the chemical properties. We present two algorithms, midpoint approximation and interval approximation, for construction of efficient model abstractions with uncertainty in data. We evaluate computational feasibility by posing queries in computation tree logic (CTL) on a prototype of extracellular-signal-regulated kinase (ERK) pathway.

  8. From stellar to planetary composition: Galactic chemical evolution of Mg/Si mineralogical ratio

    CERN Document Server

    Adibekyan, V; Figueira, P; Dorn, C; Sousa, S G; Delgado-Mena, E; Israelian, G; Hakobyan, A A; Mordasini, C

    2015-01-01

    The main goal of this work is to study element ratios that are important for the formation of planets of different masses. We study potential correlations between the existence of planetary companions and the relative elemental abundances of their host stars. We use a large sample of FGK-type dwarf stars for which precise Mg, Si, and Fe abundances have been derived using HARPS high-resolution and high-quality data. A first analysis of the data suggests that low-mass planet host stars show higher [Mg/Si] ratios, while giant planet hosts present [Mg/Si] that is lower than field stars. However, we found that the [Mg/Si] ratio significantly depends on metallicity through Galactic chemical evolution. After removing the Galactic evolution trend only the difference in the [Mg/Si] elemental ratio between low-mass planet hosts and non-hosts was present in a significant way. These results suggests that low-mass planets are more prevalent around stars with high [Mg/Si]. Our results demonstrate the importance of Galactic...

  9. Chemical evolution in the early phases of massive star formation II: Deuteration

    CERN Document Server

    Gerner, Th; Beuther, H; Semenov, D; Linz, H; Abertsson, T; Henning, Th

    2015-01-01

    The chemical evolution in high-mass star-forming regions is still poorly constrained. Studying the evolution of deuterated molecules allows to differentiate between subsequent stages of high-mass star formation regions due to the strong temperature dependence of deuterium isotopic fractionation. We observed a sample of 59 sources including 19 infrared dark clouds, 20 high-mass protostellar objects, 11 hot molecular cores and 9 ultra-compact HII regions in the (3-2) transitions of the four deuterated molecules, DCN, DNC, DCO+ and N2D+ as well as their non-deuterated counterpart. The overall detection fraction of DCN, DNC and DCO+ is high and exceeds 50% for most of the stages. N2D+ was only detected in a few infrared dark clouds and high-mass protostellar objects. It can be related to problems in the bandpass at the frequency of the transition and to low abundances in the more evolved, warmer stages. We find median D/H ratios of ~0.02 for DCN, ~0.005 for DNC, ~0.0025 for DCO+ and ~0.02 for N2D+. While the D/H ...

  10. The puzzle of the Krebs citric acid cycle: assembling the pieces of chemically feasible reactions, and opportunism in the design of metabolic pathways during evolution.

    Science.gov (United States)

    Meléndez-Hevia, E; Waddell, T G; Cascante, M

    1996-09-01

    The evolutionary origin of the Krebs citric acid cycle has been for a long time a model case in the understanding of the origin and evolution of metabolic pathways: How can the emergence of such a complex pathway be explained? A number of speculative studies have been carried out that have reached the conclusion that the Krebs cycle evolved from pathways for amino acid biosynthesis, but many important questions remain open: Why and how did the full pathway emerge from there? Are other alternative routes for the same purpose possible? Are they better or worse? Have they had any opportunity to be developed in cellular metabolism evolution? We have analyzed the Krebs cycle as a problem of chemical design to oxidize acetate yielding reduction equivalents to the respiratory chain to make ATP. Our analysis demonstrates that although there are several different chemical solutions to this problem, the design of this metabolic pathway as it occurs in living cells is the best chemical solution: It has the least possible number of steps and it also has the greatest ATP yielding. Study of the evolutionary possibilities of each one-taking the available material to build new pathways-demonstrates that the emergence of the Krebs cycle has been a typical case of opportunism in molecular evolution. Our analysis proves, therefore, that the role of opportunism in evolution has converted a problem of several possible chemical solutions into a single-solution problem, with the actual Krebs cycle demonstrated to be the best possible chemical design. Our results also allow us to derive the rules under which metabolic pathways emerged during the origin of life.

  11. Adaptive evolution on a continuous lattice model

    Science.gov (United States)

    Claudino, Elder S.; Lyra, M. L.; Gleria, Iram; Campos, Paulo R. A.

    2013-03-01

    In the current work, we investigate the evolutionary dynamics of a spatially structured population model defined on a continuous lattice. In the model, individuals disperse at a constant rate v and competition is local and delimited by the competition radius R. Due to dispersal, the neighborhood size (number of individuals competing for reproduction) fluctuates over time. Here we address how these new variables affect the adaptive process. While the fixation probabilities of beneficial mutations are roughly the same as in a panmitic population for small fitness effects s, a dependence on v and R becomes more evident for large s. These quantities also strongly influence fixation times, but their dependencies on s are well approximated by s-1/2, which means that the speed of the genetic wave front is proportional to s. Most important is the observation that the model exhibits a dual behavior displaying a power-law growth for the fixation rate and speed of adaptation with the beneficial mutation rate, as observed in other spatially structured population models, while simultaneously showing a nonsaturating behavior for the speed of adaptation with the population size N, as in homogeneous populations.

  12. A Novel Software Evolution Model Based on Software Networks

    Science.gov (United States)

    Pan, Weifeng; Li, Bing; Ma, Yutao; Liu, Jing

    Many published papers analyzed the forming mechanisms and evolution laws of OO software systems from software reuse, software pattern, etc. There, however, have been fewer models so far merely built on the software components such as methods, classes, etc. and their interactions. In this paper, a novel Software Evolution Model based on Software Networks (called SEM-SN) is proposed. It uses software network at class level to represent software systems, and uses software network’s dynamical generating process to simulate activities in real software development process such as new classes’ dynamical creations and their dynamical interactions with already existing classes. It also introduces the concept of node/edge ageing to describe the decaying of classes with time. Empirical results on eight open-source Object-Oriented (OO) software systems demonstrate that SCM-SN roughly describes the evolution process of software systems and the emergence of their complex network characteristics.

  13. Evolution of stalk/spore ratio in a social amoeba: cell-to-cell interaction via a signaling chemical shaped by cheating risk.

    Science.gov (United States)

    Uchinomiya, Kouki; Iwasa, Yoh

    2013-11-07

    The social amoeba (or cellular slime mold) is a model system for cell cooperation. When food is depleted in the environment, cells aggregate together. Some of these cells become stalks, raising spores to aid in their dispersal. Differentiation-inducing factor-1 (DIF-1) is a signaling chemical produced by prespore cells and decomposed by prestalk cells. It affects the rate of switching between prestalk and prespore cells, thereby achieving a stable stalk/spore ratio. In this study we analyzed the evolution of the stalk/spore ratio. Strains may differ in the production and decomposition rates of the signaling chemical, and in the sensitivity of cells to switch in response to the signaling chemical exposure. When two strains with the same stalk/spore ratio within their own fruiting body are combined into a single fruiting body, one strain may develop into prespores to a greater degree than the other. Direct evolutionary simulations and quantitative genetic dynamics demonstrate that if a fruiting body is always formed by a single strain, the cells evolve to produce less signaling chemical and become more sensitive to the signaling chemical due to the cost of producing the chemical. In contrast, if a fruiting body is formed by multiple strains, the cells evolve to become less sensitive to the signaling chemical and produce more signaling chemical in order to reduce the risk of being exploited. In contrast, the stalk-spore ratio is less likely to be affected by small cheating risk.

  14. Voltammetry as a Model for Teaching Chemical Instrumentation.

    Science.gov (United States)

    Gunasingham, H.; Ang, K. P.

    1985-01-01

    Voltammetry is used as a model for teaching chemical instrumentation to chemistry undergraduates at the National University of Singapore. Lists six criteria used to select a successful teaching model and shows how voltammetry satisfies each criterion. (JN)

  15. Models of the Protocellular Structures, Functions and Evolution

    Science.gov (United States)

    Pohorille, Andrew; New, Michael; Keefe, Anthony; Szostak, Jack W.; Lanyi, Janos F.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    In the absence of extinct or extant record of protocells, the most direct way to test our understanding of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids: First, a very large population of candidate molecules is generated using a random synthetic approach. Next, the small numbers of molecules that can accomplish the desired task are selected. These molecules are next vastly multiplied using the polymerase chain reaction. A mutagenic approach, in which the sequences of selected molecules are randomly altered, can yield further improvements in performance or alterations of specificities. Unfortunately, the catalytic potential of nucleic acids is rather limited. Proteins are more catalytically capable but cannot be directly amplified. In the new technique, this problem is circumvented by covalently linking each protein of the initial, diverse, pool to the RNA sequence that codes for it. Then, selection is performed on the proteins, but the nucleic acids are replicated. To date, we have obtained "a proof of concept" by evolving simple, novel proteins capable of selectively binding adenosine tri-phosphate (ATP). Our next goal is to create an enzyme that can phosphorylate amino acids and another to catalyze the formation of peptide bonds in the absence of nucleic acid templates. This latter reaction does not take place in contemporary cells. once developed, these enzymes will be encapsulated in liposomes so that they will function in a simulated cellular

  16. THE METALLICITY DISTRIBUTION FUNCTIONS OF SEGUE G AND K DWARFS: CONSTRAINTS FOR DISK CHEMICAL EVOLUTION AND FORMATION

    Energy Technology Data Exchange (ETDEWEB)

    Schlesinger, Katharine J. [Research School of Astronomy and Astrophysics, Australian National University, Weston, ACT 2611 (Australia); Johnson, Jennifer A.; Schoenrich, Ralph [Department of Astronomy, The Ohio State University, 140 W 18th Avenue, Columbus, OH 43210 (United States); Rockosi, Constance M. [UCO/Lick Observatory, University of California, Santa Cruz, CA 95064 (United States); Lee, Young Sun [Tombaugh Fellow, Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States); Morrison, Heather L.; Harding, Paul [Department of Astronomy, Case Western Reserve University, Cleveland, OH 44106 (United States); Allende Prieto, Carlos [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Beers, Timothy C. [Department of Physics and Astronomy and JINA (Joint Institute for Nuclear Astrophysics), Michigan State University, East Lansing, MI 48824 (United States); Yanny, Brian [Fermi National Accelerator Laboratory, P.O. Box 500, Batavia, IL 60510 (United States); Schneider, Donald P. [Department of Astronomy and Astrophysics, Penn State University, 408A Davey Laboratory, University Park, PA 16802 (United States); Chiappini, Cristina; Da Costa, Luiz N.; Maia, Marcio A. G.; Rocha-Pinto, Helio; Santiago, Basilio X. [Laboratorio Interinstitucional de e-Astronomia (LIneA), Rua Gal. Jose Cristino 77, 20921-400 Rio de Janeiro (Brazil); Minchev, Ivan [Leibniz-Institut fuer Astrophysik Potsdam, An der Sternwarte 16, D-14482 Potsdam (Germany)

    2012-12-20

    We present the metallicity distribution function (MDF) for 24,270 G and 16,847 K dwarfs at distances from 0.2 to 2.3 kpc from the Galactic plane, based on spectroscopy from the Sloan Extension for Galactic Understanding and Exploration (SEGUE) survey. This stellar sample is significantly larger in both number and volume than previous spectroscopic analyses, which were limited to the solar vicinity, making it ideal for comparison with local volume-limited samples and Galactic models. For the first time, we have corrected the MDF for the various observational biases introduced by the SEGUE target-selection strategy. SEGUE is particularly notable for its sample of K dwarfs, which are too faint to examine spectroscopically far from the solar neighborhood. The MDF of both spectral types becomes more metal-poor with increasing |Z|, which reflects the transition from a sample with small [{alpha}/Fe] values at small heights to one with enhanced [{alpha}/Fe] above 1 kpc. Comparison of our SEGUE distributions to those of two different Milky Way models reveals that both are more metal-rich than our observed distributions at all heights above the plane. Our unbiased observations of G and K dwarfs provide valuable constraints over the |Z|-height range of the Milky Way disk for chemical and dynamical Galaxy evolution models, previously only calibrated to the solar neighborhood, with particular utility for thin- and thick-disk formation models.

  17. Modeling Chemical Reactors I: Quiescent Reactors

    CERN Document Server

    Michoski, C E; Schmitz, P G

    2010-01-01

    We introduce a fully generalized quiescent chemical reactor system in arbitrary space $\\vdim =1,2$ or 3, with $n\\in\\mathbb{N}$ chemical constituents $\\alpha_{i}$, where the character of the numerical solution is strongly determined by the relative scaling between the local reactivity of species $\\alpha_{i}$ and the local functional diffusivity $\\mathscr{D}_{ij}(\\alpha)$ of the reaction mixture. We develop an operator time-splitting predictor multi-corrector RK--LDG scheme, and utilize $hp$-adaptivity relying only on the entropy $\\mathscr{S}_{\\mathfrak{R}}$ of the reactive system $\\mathfrak{R}$. This condition preserves these bounded nonlinear entropy functionals as a necessarily enforced stability condition on the coupled system. We apply this scheme to a number of application problems in chemical kinetics; including a difficult classical problem arising in nonequilibrium thermodynamics known as the Belousov-Zhabotinskii reaction where we utilize a concentration-dependent diffusivity tensor $\\mathscr{D}_{ij}(...

  18. Chemical and toxicological evolution of carbon nanotubes during atmospherically relevant aging processes.

    Science.gov (United States)

    Liu, Yongchun; Liggio, John; Li, Shao-Meng; Breznan, Dalibor; Vincent, Renaud; Thomson, Errol M; Kumarathasan, Premkumari; Das, Dharani; Abbatt, Jonathan; Antiñolo, María; Russell, Lynn

    2015-03-03

    The toxicity of carbon nanotubes (CNTs) has received significant attention due to their usage in a wide range of commercial applications. While numerous studies exist on their impacts in water and soil ecosystems, there is a lack of information on the exposure to CNTs from the atmosphere. The transformation of CNTs in the atmosphere, resulting in their functionalization, may significantly alter their toxicity. In the current study, the chemical modification of single wall carbon nanotubes (SWCNTs) via ozone and OH radical oxidation is investigated through studies that simulate a range of expected tropospheric particulate matter (PM) lifetimes, in order to link their chemical evolution to toxicological changes. The results indicate that the oxidation favors carboxylic acid functionalization, but significantly less than other studies performed under nonatmospheric conditions. Despite evidence of functionalization, neither O3 nor OH radical oxidation resulted in a change in redox activity (potentially giving rise to oxidative stress) or in cytotoxic end points. Conversely, both the redox activity and cytotoxicity of SWCNTs significantly decreased when exposed to ambient urban air, likely due to the adsorption of organic carbon vapors. These results suggest that the effect of gas-particle partitioning of organics in the atmosphere on the toxicity of SWCNTs should be investigated further.

  19. Interaction of Tryptophane and Phenylalanine with Cadmium and Molybdenum Ferrocyanides and Its Implications in Chemical Evolution and Origins of Life.

    Science.gov (United States)

    Tewari, Brij

    2016-07-01

    Insoluble metal hexacyanoferrate(II) complexes could have concentrated biomonomers from dilute prebiotic soup during course of chemical evolution and origin of life or primitive earth. In the light of above hypothesis, adsorption of tryptophane and phenylalanine was studied on cadmium and molybdenum ferrocyanides at neutral pH (7.0 ± 0.01) and at a temperature of 30 ± 1º C. Interaction of amino acids with metal ferrocyanides are found to be maximum at neutral pH. Neutral pH is chosen for the adsorption studies because most of the reactions in biological systems taken place at neutral pH range. Adsorption trend follow Langmuir isotherm model. The Langmuir constants b and Qo were calculated at neutral pH, tryptophane was found to more adsorbed than phenylalanine on both metal ferrocyanides studied. Molybdenum ferrocyanides studied. Molybdenum ferrocyanides was found to have more uptake capacity for both adsorbates than cadmium ferrocyanides. The present study suggests that metal ferrocyanides might have played a role in the stabilization of biomolecules through their surface activity during course of chemical solution and origins of life on primitive earth.

  20. Deep mantle heat flow and thermal evolution of the Earth's core based on thermo-chemical mantle convection

    Science.gov (United States)

    Nakagawa, T.; Tackley, P.; Buffett, B.

    2004-12-01

    A coupled core-mantle evolution model that combines the global heat balance in the core with a fully-dynamical thermo-chemical mantle convection [Nakagawa and Tackley, 2004 published in EPSL] is used to investigate the deep mantle heat flow that is required to sustain the magnetic field generated by the geodynamo process. Effects of a radioactive heat source due to potassium in the core are also included in the global heat balance in the Earth??s core. Two important parameters are checked in this study; (1) density variation between depleted hartzbergite and basaltic material (0 to 3 percent) and (2) concentration of radioactive potassium in the core alloy (0ppm to 400ppm). The parameter set that most closely satisfies the criteria of size of the inner core (1220km at present time) is around 2 percent of density difference in a convecting mantle and 200ppm of radioactive heat source in the core. The concentration of potassium in the core is consistent with the geochemical approach [Murthy et al., 2003] but smaller than other successful thermal evolution models [Labrosse, 2003; Nimmo et al., 2004]. Heat flow through the core-mantle boundary and the contribution of radioactive heat sources in the core are consistent with theoretical estimates [e.g. Buffett, 2002] and geochemical constraints [Gessmann and Wood, 2002]. The power available to the geodynamo, based on the predicted heat flow through the core-mantle boundary, is approximately four times greater than the value predicted by numerical models of the geodynamo [Christensen and Kutzner, 2004] but closer to theoretical estimates [e.g. Buffett, 2002].

  1. Evolution of a sustainable surgical delivery model.

    Science.gov (United States)

    Magee, William P

    2010-09-01

    For the past 28 years, Operation Smile has mobilized thousands of volunteers to provide life-changing cleft lip, cleft palate, and other facial deformity surgery to more than 150,000 children in countries all over the world. Our mission is to provide surgical care for children with the goal of developing sustainable health care delivery models for surgical services worldwide. For more than a quarter century, we have learned that good judgment comes from experience and that experience comes from bad judgment. However, it has been woven throughout this sometimes painful, always exhilarating growth process in which we have realized that our mission had so much more power than we initially anticipated that it would. Originally, we focused on the face of a child and our ability to provide a surgery that would change that child's life forever. Today, we still stand in awe of the transformative power of this experience, but we have also realized the great power that lies in educating medical professionals and providing state-of-the-art equipment. For us, action took shape in the form of us establishing a business model at home and in each of our partner countries. This included setting up financial reporting systems and creating program models that organized volunteers to provide care for children outside the reach of where surgery was currently available. Through our journey, we have realized that there is power in the healed face of a child. That moment gives us the opportunity to feel the passion for the service we have the privilege to provide. It is that emotion that leads us to action.

  2. Modeling river dune evolution using a parameterization of flow separation

    NARCIS (Netherlands)

    Paarlberg, Andries J.; Dohmen-Janssen, C. Marjolein; Hulscher, Susanne J.M.H.; Termes, Paul

    2009-01-01

    This paper presents an idealized morphodynamic model to predict river dune evolution. The flow field is solved in a vertical plane assuming hydrostatic pressure conditions. The sediment transport is computed using a Meyer-Peter–Müller type of equation, including gravitational bed slope effects and a

  3. Evolution: Ocean Models Reveal Life in Deep Seas.

    Science.gov (United States)

    Eizaguirre, Christophe

    2016-09-26

    Even though the deep sea represents the largest area in the world, evolution of species from those environments remains largely unstudied. A series of recent papers indicate that combining molecular tools with biophysical models can help us resolve some of these deep mysteries.

  4. Evolution and physics in comparative protein structure modeling.

    Science.gov (United States)

    Fiser, András; Feig, Michael; Brooks, Charles L; Sali, Andrej

    2002-06-01

    From a physical perspective, the native structure of a protein is a consequence of physical forces acting on the protein and solvent atoms during the folding process. From a biological perspective, the native structure of proteins is a result of evolution over millions of years. Correspondingly, there are two types of protein structure prediction methods, de novo prediction and comparative modeling. We review comparative protein structure modeling and discuss the incorporation of physical considerations into the modeling process. A good starting point for achieving this aim is provided by comparative modeling by satisfaction of spatial restraints. Incorporation of physical considerations is illustrated by an inclusion of solvation effects into the modeling of loops.

  5. Modeling fracture porosity evolution in dolostone

    Science.gov (United States)

    Gale, Julia F. W.; Lander, Robert H.; Reed, Robert M.; Laubach, Stephen E.

    2010-09-01

    Opening-mode fractures in dolostones buried to depths of ˜1-5 km contain synkinematic dolomite cement, the amount and internal structure of which has a systematic relationship to fracture size. Narrow fractures (cement or cement with a crack-seal texture that indicates multiple incremental openings. Wider fractures can preserve considerable effective porosity, but anomalously thick dolomite cement bridges are commonly present in fractures that are otherwise lined with a thin veneer of cement. Dolomite bridges resemble quartz bridges that are common in fractured sandstones. We developed a geometric crystal growth model for synkinematic dolomite fracture fill in fractured dolostones, where periodic incremental fracture-opening events are introduced with concurrent cement growth. We assumed constant temperature and supersaturation with respect to dolomite. A key assumption in the model is that rapid dolomite accumulation within bridges is governed by high cement-growth rates on repeatedly broken grain surfaces during the process of crack seal. Slower cement-growth rates occur on euhedral crystals. This assumption is made on the basis of a comparison with quartz cement growth in fractured sandstones. Simulations with different fracture-opening rates mimic bridge and lining cement morphologies, including characteristic rhombic shapes of dolomite bridges.

  6. Diagnostics and future evolution analysis of the two parametric models

    CERN Document Server

    Yang, Guang; Meng, Xinhe

    2016-01-01

    In this paper, we apply three diagnostics including $Om$, Statefinder hierarchy and the growth rate of perturbations into discriminating the two parametric models for the effective pressure with the $\\Lambda$CDM model. By using the $Om$ diagnostic, we find that both the model 1 and the model 2 can be hardly distinguished from each other as well as the $\\Lambda$CDM model in terms of 68\\% confidence level. As a supplement, by using the Statefinder hierarchy diagnostics and the growth rate of perturbations, we discover that not only can our two parametric models be well distinguished from $\\Lambda$CDM model, but also, by comparing with $Om$ diagnostic, the model 1 and the model 2 can be distinguished better from each other. In addition, we also explore the fate of universe evolution of our two models by means of the rip analysis.

  7. Modelling Human Exposure to Chemicals in Food

    NARCIS (Netherlands)

    Slob W

    1993-01-01

    Exposure to foodborne chemicals is often estimated using the average consumption pattern in the human population. To protect the human population instead of the average individual, however, interindividual variability in consumption behaviour must be taken into account. This report shows how food

  8. Setting the volatile composition of (exo)planet-building material. Does chemical evolution in disk midplanes matter?

    CERN Document Server

    Eistrup, Christian; van Dishoeck, Ewine F

    2016-01-01

    [Abridged] Chemical evolution in the protoplanetary disk midplane can modify the composition of ices and gases. We have investigated if and how chemical evolution affects the abundances and distributions of key volatile species in the midplane of a protoplanetary disk in the 0.2-30 AU range. A full chemical network including gas-phase, gas-grain interactions and grain-surface chemistry is used to evolve chemistry in time, for 1 Myr. Great diversity is observed in the relative abundance ratios of the main considered species: H2O, CO, CO2, CH4, O2, NH3 and N2. The choice of ionisation level, the choice of initial abundances, as well as the extent of chemical reaction types included are all factors that affect the chemical evolution. The only exception is the inheritance scenario with a low ionisation level, which results in negligible changes compared with the initial abundances, regardless of whether grain-surface chemistry is included. The chemical processing changes the C/O ratios for gas and ice significant...

  9. Modelling the spectral evolution of classical double radio sources

    CERN Document Server

    Manolakou, K

    2002-01-01

    The spectral evolution of powerful double radio galaxies (FR II's) is thought to be determined by the acceleration of electrons at the termination shock of the jet, their transport through the bright head region into the lobes and the production of the radio emission by synchrotron radiation in the lobes. Models presented to date incorporate some of these processes in prescribing the electron distribution which enters the lobes. We have extended these models to include a description of electron acceleration at the relativistic termination shock and a selection of transport models for the head region. These are coupled to the evolution of the electron spectrum in the lobes under the influence of losses due to adiabatic expansion, by inverse Compton scattering on the cosmic background radiation and by synchrotron radiation. The evolutionary tracks predicted by this model are compared to observation using the power/source-size (P-D) diagram. We find that the simplest scenario, in which accelerated particles suff...

  10. A Solvable Model of Species Body Mass Evolution

    CERN Document Server

    Clauset, Aaron

    2008-01-01

    We present a quantitative model for the biological evolution of species body masses within large groups of related species, e.g., terrestrial mammals, in which body mass M evolves according to branching (speciating) multiplicative diffusion and an extinction probability that increases logarithmically with mass. We describe this evolution in terms of a convection-diffusion-reaction equation for ln M. The steady-state behavior is in good agreement with empirical data on recent terrestrial mammals, and the time-dependent behavior also agrees with data on extinct mammal species between 95 - 50 million years ago.

  11. Natural Models for Evolution on Networks

    CERN Document Server

    Mertzios, George B; Raptopoulos, Christoforos; Spirakis, Paul G

    2011-01-01

    Evolutionary dynamics have been traditionally studied in the context of homogeneous populations, mainly described my the Moran process. Recently, this approach has been generalized in \\cite{LHN} by arranging individuals on the nodes of a network. Undirected networks seem to have a smoother behavior than directed ones, and thus it is more challenging to find suppressors/amplifiers of selection. In this paper we present the first class of undirected graphs which act as suppressors of selection, by achieving a fixation probability that is at most one half of that of the complete graph, as the number of vertices increases. Moreover, we provide some generic upper and lower bounds for the fixation probability of general undirected graphs. As our main contribution, we introduce the natural alternative of the model proposed in \\cite{LHN}, where all individuals interact simultaneously and the result is a compromise between aggressive and non-aggressive individuals. That is, the behavior of the individuals in our new m...

  12. Neutral null models for diversity in serial transfer evolution experiments.

    Science.gov (United States)

    Harpak, Arbel; Sella, Guy

    2014-09-01

    Evolution experiments with microorganisms coupled with genome-wide sequencing now allow for the systematic study of population genetic processes under a wide range of conditions. In learning about these processes in natural, sexual populations, neutral models that describe the behavior of diversity and divergence summaries have played a pivotal role. It is therefore natural to ask whether neutral models, suitably modified, could be useful in the context of evolution experiments. Here, we introduce coalescent models for polymorphism and divergence under the most common experimental evolution assay, a serial transfer experiment. This relatively simple setting allows us to address several issues that could affect diversity patterns in evolution experiments, whether selection is operating or not: the transient behavior of neutral polymorphism in an experiment beginning from a single clone, the effects of randomness in the timing of cell division and noisiness in population size in the dilution stage. In our analyses and discussion, we emphasize the implications for experiments aimed at measuring diversity patterns and making inferences about population genetic processes based on these measurements.

  13. Modeling evolution and immune system by cellular automata

    Energy Technology Data Exchange (ETDEWEB)

    Bezzi, M. [Scuola Internazionale Superiore di Studi Avanzati, Trieste (Italy); Istituto Nazionale di Fisica della Materia, Florence (Italy)

    2001-07-01

    In this review the behavior of two different biological systems is investigated using cellular automata. Starting from this spatially extended approach it is also tried, in some cases, to reduce the complexity of the system introducing mean-field approximation, and solving (or trying to solve) these simplified systems. It is discussed the biological meaning of the results, the comparison with experimental data (if available) and the different features between spatially extended and mean-field versions. The biological systems considered in this review are the following: Darwinian evolution in simple ecosystems and immune system response. In the first section the main features of molecular evolution are introduced, giving a short survey of genetics for physicists and discussing some models for prebiotic systems and simple ecosystems. It is also introduced a cellular automaton model for studying a set of evolving individuals in a general fitness landscape, considering also the effects of co-evolution. In particular the process of species formation (speciation) is described in sect. 5. The second part deals with immune system modeling. The biological features of immune response are discussed, as well as it is introduced the concept of shape space and of idiotypic network. More detailed reviews which deal with immune system models (mainly focused on idiotypic network models) can be found. Other themes here discussed: the applications of CA to immune system modeling, two complex cellular automata for humoral and cellular immune response. Finally, it is discussed the biological data and the general conclusions are drawn in the last section.

  14. Disk galaxy formation and evolution models up to intermediate redshifts

    CERN Document Server

    Firmani, C

    1999-01-01

    Making use of a seminumerical method we develop a scenario of disk galaxy formation and evolution in the framework of inflationary cold dark matter (CDM) cosmologies. Within the virializing dark matter halos, disks in centrifugal equilibrium are built-up and their galactic evolution is followed through an approach which considers the gravitational interactions among the galaxy components, the turbulence and energy balance of the ISM, the star formation (SF) process due to disk gravitational instabilities, the stellar evolution and the secular formation of a bulge. We find that the main properties and correlations of disk galaxies are determined by the mass, the hierarchical mass aggregation history and the primordial angular momentum. The models follow the same trends across the Hubble sequence than the observed galaxies. The predicted TF relation is in good agreement with the observations except for the standart CDM. While the slope of this relation remains almost constant up to intermediate redshifts, its z...

  15. Studies of Trace Gas Chemical Cycles Using Observations, Inverse Methods and Global Chemical Transport Models

    Science.gov (United States)

    Prinn, Ronald G.

    2001-01-01

    For interpreting observational data, and in particular for use in inverse methods, accurate and realistic chemical transport models are essential. Toward this end we have, in recent years, helped develop and utilize a number of three-dimensional models including the Model for Atmospheric Transport and Chemistry (MATCH).

  16. Stochastic evolutions of dynamic traffic flow modeling and applications

    CERN Document Server

    Chen, Xiqun (Michael); Shi, Qixin

    2015-01-01

    This book reveals the underlying mechanisms of complexity and stochastic evolutions of traffic flows. Using Eulerian and Lagrangian measurements, the authors propose lognormal headway/spacing/velocity distributions and subsequently develop a Markov car-following model to describe drivers’ random choices concerning headways/spacings, putting forward a stochastic fundamental diagram model for wide scattering flow-density points. In the context of highway onramp bottlenecks, the authors present a traffic flow breakdown probability model and spatial-temporal queuing model to improve the stability and reliability of road traffic flows. This book is intended for researchers and graduate students in the fields of transportation engineering and civil engineering.

  17. Review of permeability evolution model for fractured porous media

    Institute of Scientific and Technical Information of China (English)

    Jianjun Ma

    2015-01-01

    The ability to capture permeability of fractured porous media plays a significant role in several engi-neering applications, including reservoir, mining, petroleum and geotechnical engineering. In order to solve fluid flow and coupled flow-deformation problems encountered in these engineering applications, both empirical and theoretical models had been proposed in the past few decades. Some of them are simple but still work in certain circumstances;others are complex but also need some modifications to be applicable. Thus, the understanding of state-of-the-art permeability evolution model would help researchers and engineers solve engineering problems through an appropriate approach. This paper summarizes permeability evolution models proposed by earlier and recent researchers with emphasis on their characteristics and limitations.

  18. Differential Evolution algorithm applied to FSW model calibration

    Science.gov (United States)

    Idagawa, H. S.; Santos, T. F. A.; Ramirez, A. J.

    2014-03-01

    Friction Stir Welding (FSW) is a solid state welding process that can be modelled using a Computational Fluid Dynamics (CFD) approach. These models use adjustable parameters to control the heat transfer and the heat input to the weld. These parameters are used to calibrate the model and they are generally determined using the conventional trial and error approach. Since this method is not very efficient, we used the Differential Evolution (DE) algorithm to successfully determine these parameters. In order to improve the success rate and to reduce the computational cost of the method, this work studied different characteristics of the DE algorithm, such as the evolution strategy, the objective function, the mutation scaling factor and the crossover rate. The DE algorithm was tested using a friction stir weld performed on a UNS S32205 Duplex Stainless Steel.

  19. Evolution of metastasis revealed by mutational landscapes of chemically induced skin cancers

    Science.gov (United States)

    McCreery, Melissa Q; Halliwill, Kyle D; Chin, Douglas; Delrosario, Reyno; Hirst, Gillian; Vuong, Peter; Jen, Kuang-Yu; Hewinson, James; Adams, David J; Balmain, Allan

    2016-01-01

    Human tumors show a high level of genetic heterogeneity, but the processes that influence the timing and route of metastatic dissemination of the subclones are unknown. Here we have used whole-exome sequencing of 103 matched benign, malignant and metastatic skin tumors from genetically heterogeneous mice to demonstrate that most metastases disseminate synchronously from the primary tumor, supporting parallel rather than linear evolution as the predominant model of metastasis. Shared mutations between primary carcinomas and their matched metastases have the distinct A-to-T signature of the initiating carcinogen dimethylbenzanthracene, but non-shared mutations are primarily G-to-T, a signature associated with oxidative stress. The existence of carcinomas that either did or did not metastasize in the same host animal suggests that there are tumor-intrinsic factors that influence metastatic seeding. We also demonstrate the importance of germline polymorphisms in determining allele-specific mutations, and we identify somatic genetic alterations that are specifically related to initiation of carcinogenesis by Hras or Kras mutations. Mouse tumors that mimic the genetic heterogeneity of human cancers can aid our understanding of the clonal evolution of metastasis and provide a realistic model for the testing of novel therapies. PMID:26523969

  20. On Models of Nonlinear Evolution Paths in Adiabatic Quantum Algorithms

    Institute of Scientific and Technical Information of China (English)

    SUN Jie; LU Song-Feng; Samuel L.Braunstein

    2013-01-01

    In this paper,we study two different nonlinear interpolating paths in adiabatic evolution algorithms for solving a particular class of quantum search problems where both the initial and final Hamiltonian are one-dimensional projector Hamiltonians on the corresponding ground state.If the overlap between the initial state and final state of the quantum system is not equal to zero,both of these models can provide a constant time speedup over the usual adiabatic algorithms by increasing some another corresponding "complexity".But when the initial state has a zero overlap with the solution state in the problem,the second model leads to an infinite time complexity of the algorithm for whatever interpolating functions being applied while the first one can still provide a constant running time.However,inspired by a related reference,a variant of the first model can be constructed which also fails for the problem when the overlap is exactly equal to zero if we want to make up the "intrinsic" fault of the second model — an increase in energy.Two concrete theorems are given to serve as explanations why neither of these two models can improve the usual adiabatic evolution algorithms for the phenomenon above.These just tell us what should be noted when using certain nonlinear evolution paths in adiabatic quantum algorithms for some special kind of problems.

  1. The Supercritical Pile GRB Model: The Prompt to Afterglow Evolution

    Science.gov (United States)

    Mastichiadis, A.; Kazanas, D.

    2009-01-01

    The "Supercritical Pile" is a very economical GRB model that provides for the efficient conversion of the energy stored in the protons of a Relativistic Blast Wave (RBW) into radiation and at the same time produces - in the prompt GRB phase, even in the absence of any particle acceleration - a spectral peak at energy approx. 1 MeV. We extend this model to include the evolution of the RBW Lorentz factor Gamma and thus follow its spectral and temporal features into the early GRB afterglow stage. One of the novel features of the present treatment is the inclusion of the feedback of the GRB produced radiation on the evolution of Gamma with radius. This feedback and the presence of kinematic and dynamic thresholds in the model can be the sources of rich time evolution which we have began to explore. In particular. one can this may obtain afterglow light curves with steep decays followed by the more conventional flatter afterglow slopes, while at the same time preserving the desirable features of the model, i.e. the well defined relativistic electron source and radiative processes that produce the proper peak in the (nu)F(sub nu), spectra. In this note we present the results of a specific set of parameters of this model with emphasis on the multiwavelength prompt emission and transition to the early afterglow.

  2. New trajectory-driven aerosol and chemical process model Chemical and Aerosol Lagrangian Model (CALM

    Directory of Open Access Journals (Sweden)

    P. Tunved

    2010-11-01

    Full Text Available A new Chemical and Aerosol Lagrangian Model (CALM has been developed and tested. The model incorporates all central aerosol dynamical processes, from nucleation, condensation, coagulation and deposition to cloud formation and in-cloud processing. The model is tested and evaluated against observations performed at the SMEAR II station located at Hyytiälä (61° 51' N, 24° 17' E over a time period of two years, 2000–2001. The model shows good agreement with measurements throughout most of the year, but fails in reproducing the aerosol properties during the winter season, resulting in poor agreement between model and measurements especially during December–January. Nevertheless, through the rest of the year both trends and magnitude of modal concentrations show good agreement with observation, as do the monthly average size distribution properties. The model is also shown to capture individual nucleation events to a certain degree. This indicates that nucleation largely is controlled by the availability of nucleating material (as prescribed by the [H2SO4], availability of condensing material (in this model 15% of primary reactions of monoterpenes (MT are assumed to produce low volatile species and the properties of the size distribution (more specifically, the condensation sink. This is further demonstrated by the fact that the model captures the annual trend in nuclei mode concentration. The model is also used, alongside sensitivity tests, to examine which processes dominate the aerosol size distribution physical properties. It is shown, in agreement with previous studies, that nucleation governs the number concentration during transport from clean areas. It is also shown that primary number emissions almost exclusively govern the CN concentration when air from Central Europe is advected north over Scandinavia. We also show that biogenic emissions have a large influence on the amount of potential CCN observed

  3. Modeling the long-term evolution of space debris

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaev, Sergei; De Vries, Willem H.; Henderson, John R.; Horsley, Matthew A.; Jiang, Ming; Levatin, Joanne L.; Olivier, Scot S.; Pertica, Alexander J.; Phillion, Donald W.; Springer, Harry K.

    2017-03-07

    A space object modeling system that models the evolution of space debris is provided. The modeling system simulates interaction of space objects at simulation times throughout a simulation period. The modeling system includes a propagator that calculates the position of each object at each simulation time based on orbital parameters. The modeling system also includes a collision detector that, for each pair of objects at each simulation time, performs a collision analysis. When the distance between objects satisfies a conjunction criterion, the modeling system calculates a local minimum distance between the pair of objects based on a curve fitting to identify a time of closest approach at the simulation times and calculating the position of the objects at the identified time. When the local minimum distance satisfies a collision criterion, the modeling system models the debris created by the collision of the pair of objects.

  4. The evolution of secondary metabolism - a unifying model.

    Science.gov (United States)

    Firn, R D; Jones, C G

    2000-09-01

    Why do microbes make secondary products? That question has been the subject of intense debate for many decades. There are two extreme opinions. Some argue that most secondary metabolites play no role in increasing the fitness of an organism. The opposite view, now widely held, is that every secondary metabolite is made because it possesses (or did possess at some stage in evolution) a biological activity that endows the producer with increased fitness. These opposing views can be reconciled by recognizing that, because of the principles governing molecular interactions, potent biological activity is a rare property for any molecule to possess. Consequently, in order for an organism to evolve the rare potent, biologically active molecule, a great many chemical structures have to be generated, most of which will possess no useful biological activity. Thus, the two sides of the debate about the role and evolution of secondary metabolism can be accommodated within the view that the possession of secondary metabolism can enhance fitness, but that many products of secondary metabolism will not enhance the fitness of the producer. It is proposed that secondary metabolism will have evolved such that traits that optimize the production and retention of chemical diversity at minimum cost will have been selected. Evidence exists for some of these predicted traits. Opportunities now exist to exploit these unique properties of secondary metabolism to enhance secondary product diversity and to devise new strategies for biotransformation and bioremediation.

  5. Multi-Model approach to reconstruct the Mediterranean Freshwater Evolution

    Science.gov (United States)

    Simon, Dirk; Marzocchi, Alice; Flecker, Rachel; Lunt, Dan; Hilgen, Frits; Meijer, Paul

    2016-04-01

    Today the Mediterranean Sea is isolated from the global ocean by the Strait of Gibraltar. This restricted nature causes the Mediterranean basin to react more sensitively to climatic and tectonic related phenomena than the global ocean. Not just eustatic sea-level and regional river run-off, but also gateway tectonics and connectivity between sub-basins are leaving an enhanced fingerprint in its geological record. To understand its evolution, it is crucial to understand how these different effects are coupled. The Miocene-Pliocene sedimentary record of the Mediterranean shows alternations in composition and colour and has been astronomically tuned. Around the Miocene-Pliocene Boundary the most extreme changes occur in the Mediterranean Sea. About 6% of the salt in the global ocean deposited in the Mediterranean Region, forming an approximately 2 km thick salt layer, which is still present today. This extreme event is named the Messinian Salinity Crisis (MSC, 5.97-5.33 Ma). The gateway and climate evolution is not well constrained for this time, which makes it difficult to distinguish which of the above mentioned drivers might have triggered the MSC. We, therefore, decided to tackle this problem via a multi-model approach: (1) We calculate the Mediterranean freshwater evolution via 30 atmosphere-ocean-vegetation simulations (using HadCM3L), to which we fitted to a function, using a regression model. This allows us to directly relate the orbital curves to evaporation, precipitation and run off. The resulting freshwater evolution can be directly correlated to other sedimentary and proxy records in the late Miocene. (2) By feeding the new freshwater evolution curve into a box/budget model we can predict the salinity and strontium evolution of the Mediterranean for a certain Atlantic-Mediterranean gateway. (3) By comparing these results to the known salinity thresholds of gypsum and halite saturation of sea water, but also to the late Miocene Mediterranean strontium

  6. Chemically induced intestinal damage models in zebrafish larvae.

    Science.gov (United States)

    Oehlers, Stefan H; Flores, Maria Vega; Hall, Christopher J; Okuda, Kazuhide S; Sison, John Oliver; Crosier, Kathryn E; Crosier, Philip S

    2013-06-01

    Several intestinal damage models have been developed using zebrafish, with the aim of recapitulating aspects of human inflammatory bowel disease (IBD). These experimentally induced inflammation models have utilized immersion exposure to an array of colitogenic agents (including live bacteria, bacterial products, and chemicals) to induce varying severity of inflammation. This technical report describes methods used to generate two chemically induced intestinal damage models using either dextran sodium sulfate (DSS) or trinitrobenzene sulfonic acid (TNBS). Methods to monitor intestinal damage and inflammatory processes, and chemical-genetic methods to manipulate the host response to injury are also described.

  7. A Coupled Multiscale Model of Texture Evolution and Plastic Anisotropy

    Science.gov (United States)

    Gawad, J.; Van Bael, A.; Yerra, S. K.; Samaey, G.; Van Houtte, P.; Roose, D.

    2010-06-01

    In this paper we present a multiscale model of a plastic deformation process in which the anisotropy of plastic properties is related to the evolution of the crystallographic texture. The model spans several length scales from the macroscopic deformation of the workpiece to the microscale interactions between individual grains in a polycrystalline material. The macroscopic behaviour of the material is described by means of a Finite Element (FE) model. Plastic anisotropy is taken into account in a constitutive law, based on the concept of a plastic potential in strain rate space. The coefficients of a sixth-order Facet equation are determined using the Taylor theory, provided that the current crystallographic texture at a given FE integration point is known. Texture evolution in the FE integration points is predicted by an ALAMEL micromechanical model. Mutual interactions between coarse and fine scale are inherent in the physics of the deformation process. These dependencies are taken into account by full bidirectional coupling in the model. Therefore, the plastic deformation influences the crystallographic texture and the evolution of the texture induces anisotropy of the macroscopic deformation. The presented approach enables an adaptive texture and yield surface update scheme with respect to the local plastic deformation in the FE integration points. Additionally, the computational cost related to the updates of the constitutive law is reduced by application of parallel computing techniques. Suitability of on-demand computing for this computational problem is discussed. The parallelisation strategy addresses both distributed memory and shared memory architectures. The cup drawing process has been simulated using the multiscale model outlined above. The discussion of results includes the analysis of the planar anisotropy in the cup and the influence of complex deformation path on texture development. Evolution of texture at selected material points is assessed as

  8. Uranus evolution models with simple thermal boundary layers

    Science.gov (United States)

    Nettelmann, N.; Wang, K.; Fortney, J. J.; Hamel, S.; Yellamilli, S.; Bethkenhagen, M.; Redmer, R.

    2016-09-01

    The strikingly low luminosity of Uranus (Teff ≃ Teq) constitutes a long-standing challenge to our understanding of Ice Giant planets. Here we present the first Uranus structure and evolution models that are constructed to agree with both the observed low luminosity and the gravity field data. Our models make use of modern ab initio equations of state at high pressures for the icy components water, methane, and ammonia. Proceeding step by step, we confirm that adiabatic models yield cooling times that are too long, even when uncertainties in the ice:rock ratio (I:R) are taken into account. We then argue that the transition between the ice/rock-rich interior and the H/He-rich outer envelope should be stably stratified. Therefore, we introduce a simple thermal boundary and adjust it to reproduce the low luminosity. Due to this thermal boundary, the deep interior of the Uranus models are up to 2-3 warmer than adiabatic models, necessitating the presence of rocks in the deep interior with a possible I:R of 1 × solar. Finally, we allow for an equilibrium evolution (Teff ≃ Teq) that begun prior to the present day, which would therefore no longer require the current era to be a "special time" in Uranus' evolution. In this scenario, the thermal boundary leads to more rapid cooling of the outer envelope. When Teff ≃ Teq is reached, a shallow, subadiabatic zone in the atmosphere begins to develop. Its depth is adjusted to meet the luminosity constraint. This work provides a simple foundation for future Ice Giant structure and evolution models, that can be improved by properly treating the heat and particle fluxes in the diffusive zones.

  9. Upper Secondary Teachers' Knowledge for Teaching Chemical Bonding Models

    Science.gov (United States)

    Bergqvist, Anna; Drechsler, Michal; Chang Rundgren, Shu-Nu

    2016-01-01

    Researchers have shown a growing interest in science teachers' professional knowledge in recent decades. The article focuses on how chemistry teachers impart chemical bonding, one of the most important topics covered in upper secondary school chemistry courses. Chemical bonding is primarily taught using models, which are key for understanding…

  10. THEORETICAL CHEMICAL ENGINEERING - Modeling and Simulation by Christo Boyadjiev

    Directory of Open Access Journals (Sweden)

    Simeon Oka

    2010-01-01

    Full Text Available Book Title: THEORETICAL CHEMICAL ENGINEERING - Modeling and Simulation Author(s: Christo Boyadjiev Institute of Chemical Engineering, Bulgarian Academy of Science, Sofia Publisher: Springer, 2010 ISBN: 978-3-642-10777-1 Review by: Prof. Simeon Oka, Ph. D., Scientific advisor - retired

  11. Sr isotope evolution during chemical weathering of granites -- impact of relative weathering rates of minerals

    Institute of Scientific and Technical Information of China (English)

    MA; Yingjun

    2001-01-01

    [1]Ma, Y. J., Liu, C. Q., Geochemistry of strontium isotopes in the crust weathering system, Acta Mineralogica Sinica (in Chinese), 1998, 18(3): 350.[2]Ma, Y. J., Liu, C. Q., Using strontium isotopes to trace nutrient element circulation and hydrochemical evolution within an ecosystem, Advance in Earth Sciences (in Chinese), 1999, 14 (4): 377.[3]Brantley, S. L., Chesley, J. T., Stillings, L. L., Isotopic ratios and release rates of strontium from weathering feldspars, Geochim. Cosmochim. Acta, 1998, 62(9): 1493.[4]Blum, J. D., Erel, Y., A silicate weathering mechanism linking increases in marine 87Sr/86Sr with global glaciation, Nature, 1995, 373: 415.[5]Blum, J. D., Erel, Y., Rb-Sr isotope systematics of granitic soil chronosequence: The importance of biotite weathering, Geochim. Cosmochim. Acta, 1997, 61(15): 3193.[6]Bullen, T., Krabbenhoft, D., Kendall, C., Kinetic and mineralogic controls on the evolution of groundwater chemistry and 87Sr/86Sr in a sandy silicate aquifer, northern Wisconsin, USA, Geochim. Cosmochim. Acta, 1996, 60: 1807.[7]Bullen, T., White, A., Blum, A. et al., Chemical weathering of a soil chronosequence on granitoid alluvium: Ⅱminer-alogic and isotopic constraints on the behavior of strontium, Geochim. Cosmochim. Acta, 1997, 61: 291.[8]Blum, J. D., Erel, Y., Brown, K., 87Sr/86Sr ratios of Sierra Nevada stream waters: Implications for relative mineral weath-ering rates, Geochim. Cosmochim. Acta, 1993, 57: 5019.[9]Ma Yingjun, Trace element and strontium isotope geochemistry during chemical weathering, Ph. D. Dissertation, 1999, Institute of Geochemistry, Chinese Academy of Sciences.[10]Nesbitt, H. W., Markovics, G., Price, R. C., Chemical processes affecting alkalis and alkaline earths during continental weathering, Geochim. Cosmochim. Acta, 1980, 44: 1659.[11]Clauer, N., Strontium and argon isotopes in naturally weathered biotites, muscovites and feldspars, Chem. Geol., 1981, 31: 325.[12

  12. Evolution of near-field physico-chemical characteristics of the SFR repository

    Energy Technology Data Exchange (ETDEWEB)

    Savage, D. [Quintessa Ltd., Nottingham (United Kingdom); Stenhouse, M. [Monitor Scientific LLC, Denver, CO (United States); Benbow, S. [Quintessa Ltd., Henley-on-Thames (United Kingdom)

    2000-08-01

    The evaluation of the post-closure performance of the SFR repository needs to consider time dependent evolution of the repository environment. Time-dependent reaction of near-field barriers (cement, steel, bentonite) with saturating groundwater will lead to the development of hyper alkaline repository pore fluids, chemically reducing conditions, and ultimately, the generation of gas through anaerobic corrosion of metals. Cement and concrete will act as chemical conditioning agents to minimise metal corrosion and ultimately, maximise radioelement sorption. The chemical and physical evolution of cement and concrete through reaction with ambient groundwater will thus affect sorption processes through changes in pH, complexing ligands, and solid surface properties. It is desirable that these changes be incorporated into the safety assessment. The sorption behaviour of radionuclides in cementitious systems has been reviewed in detail. The available evidence from experimental work carried out on the influence of organic materials on the sorption behaviour of radionuclides, indicates that most organic degradation products will not affect sorption significantly at the concentrations expected in a cementitious repository. The notable exception to this conclusion involves the degradation products of cellulose and, in particular, polycarboxylic acids represented by iso-saccharinic acid (ISA). Results using ISA indicate a significant reduction in sorption of Pu, by several orders of magnitude, for an ISA concentration of about 10{sup -3} M. More recent data indicate that the negative effect is not as great, though still significant. Therefore, some scoping calculations are advisable to determine how realistic an ISA concentration of about 10{sup -3} M would be for the SFR repository and to estimate concentrations of other relevant organic compounds, in particular EDTA, for comparison. Scoping calculations relevant to the longevity of hyper alkaline pore fluid conditions at SFR

  13. A coupled physical-biological-chemical model for the Indian Ocean

    Indian Academy of Sciences (India)

    P S Swathi; M K Sharada; K S Yajnik

    2000-12-01

    A coupled physical-biological-chemical model has been developed at C-MMACS. for studying the time- variation of primary productivity and air-sea carbon-dioxide exchange in the Indian Ocean. The physical model is based on the Modular Ocean Model, Version 2 (MOM2) and the biological model describes the nonlinear dynamics of a 7-component marine ecosystem. The chemical model includes dynamical equation for the evolution of dissolved inorganic carbon and total alkalinity. The interaction between the biological and chemical model is through the Redfield ratio. The partial pressure of carbon dioxide pCO2 of the surface layer is obtained from the chemical equilibrium equations of Peng et al 1987. Transfer coefficients for air-sea exchange of CO2 are computed dynamically based on the wind speeds. The coupled model reproduces the high productivity observed in the Arabian Sea off the Somali and Omani coasts during the Southwest (SW) monsoon. The entire Arabian Sea is an outgassing region for CO2 in spite of high productivity with transfer rates as high as 80 m-mol C/m2/day during SW monsoon near the Somali Coast on account of strong winds.

  14. Last interglacial temperature evolution – a model inter-comparison

    Directory of Open Access Journals (Sweden)

    H. Renssen

    2012-09-01

    Full Text Available There is a growing number of proxy-based reconstructions detailing the climatic changes during the Last Interglacial period. This period is of special interest because large parts of the globe were characterized by a warmer-than-present-day climate, making this period an interesting test bed for climate models in the light of projected global warming. However, mainly because synchronizing the different records is difficult, there is no consensus on a global picture of Last Interglacial temperature changes. Here we present the first model inter-comparison of transient simulations covering the Last Interglacial period. By comparing the different simulations we aim at investigating the robustness of the simulated surface air temperature evolution. The model inter-comparison shows a robust Northern Hemisphere July temperature evolution characterized by a maximum between 130–122 ka BP with temperatures 0.4 to 6.8 K above pre-industrial values. This temperature evolution is in line with the changes in June insolation and greenhouse-gas concentrations. For the evolution of July temperatures in the Southern Hemisphere, the picture emerging from the inter-comparison is less clear. However, it does show that including greenhouse-gas concentration changes is critical. The simulations that include this forcing show an early, 128 ka BP July temperature anomaly maximum of 0.5 to 2.6 K. The robustness of simulated January temperatures is large in the Southern Hemisphere and the mid-latitudes of the Northern Hemisphere. In these latitudes maximum January temperature anomalies of respectively −2.5 to 2 K and 0 to 2 K are simulated for the period after 118 ka BP. The inter-comparison is inconclusive on the evolution of January temperatures in the high-latitudes of the Northern Hemisphere. Further investigation of regional anomalous patterns and inter-model differences indicate that in specific regions, feedbacks within the climate system are important for the

  15. Chemical and microstructural evolution on ODS Fe-14CrWTi steel during manufacturing stages

    Science.gov (United States)

    Olier, P.; Malaplate, J.; Mathon, M. H.; Nunes, D.; Hamon, D.; Toualbi, L.; de Carlan, Y.; Chaffron, L.

    2012-09-01

    Oxide Dispersion Strengthened (ODS) steels are promising candidate materials for fission and fusion applications thanks to their improved properties related to both their fine grained microstructure and high density of Y-Ti-O nanoscale clusters (NCs). The Fe-14Cr-1 W-0.3Ti-0.3Y2O3 ODS ferritic steel was produced by powder metallurgy: Iron-base gas atomized powders were mechanically alloyed with 0.3% Y2O3 particles in an attritor. Then, the ODS powders were encapsulated in a soft steel can, consolidated by hot extrusion and cold rolled under the shape of tube cladding. The present work investigates the evolution of the chemical composition and the microstructure after each stage of the fabrication route (i.e. mechanical alloying, extrusion and cold rolling). Chemical analysis indicates a significant increase of the carbon content and a moderate increase of oxygen and nitrogen after mechanical alloying compared to initial atomized powders. After extrusion, the measured oxygen content corresponds mainly to the oxygen coming from yttria addition during MA process. In addition, electron microprobe analyses are performed after hot extrusion to determine the concentration and the distribution of the constitutive elements (Cr, Ti, W, Y, O). The microstructure was investigated by transmission electron microscopy (TEM) and small angle neutron scattering (SANS) in order to characterize the size distribution of Y-Ti-O particles. TEM results reveal a fine microstructure (average grain size of 600 nm in the transverse direction) including Y-Ti-O NCs with a mean diameter close to 3 nm after extrusion. A slight coarsening of Y-Ti-O NCs is evidenced by SANS after cold rolling and heat treatments.

  16. Merging binary black holes formed through chemically homogeneous evolution in short-period stellar binaries

    CERN Document Server

    Mandel, Ilya

    2016-01-01

    We explore a newly proposed channel to create binary black holes of stellar origin. This scenario applies to massive, tight binaries where mixing induced by rotation and tides transports the products of hydrogen burning throughout the stellar envelopes. This slowly enriches the entire star with helium, preventing the build-up of an internal chemical gradient. The stars remain compact as they evolve nearly chemically homogeneously, eventually forming two black holes, which, we estimate, typically merge 4 to 11 Gyr after formation. Like other proposed channels, this evolutionary pathway suffers from significant theoretical uncertainties, but could be constrained in the near future by data from advanced ground-based gravitational-wave detectors. We perform Monte Carlo simulations of the expected merger rate over cosmic time to explore the implications and uncertainties. Our default model for this channel yields a local binary black hole merger rate of about $10$ Gpc$^{-3}$ yr$^{-1}$ at redshift $z=0$, peaking at...

  17. Radiogenic p-isotopes from SNIa, nuclear physics uncertainties and Galactic chemical evolution compared with values in primitive meteorites

    CERN Document Server

    Travaglio, C; Rauscher, T; Dauphas, N; Roepke, F K R; Hillebrandt, W

    2014-01-01

    The nucleosynthesis of proton-rich isotopes is calculated for multi-dimensional Chandrasekhar-mass models of Type Ia supernovae with different metallicities. The predicted abundances of the short-lived radioactive isotopes 92Nb, 97Tc, 98Tc and 146Sm are given in this framework. The abundance seeds are obtained by calculating s-process nucleosynthesis in the material accreted onto a carbon-oxygen white dwarf from a binary companion. A fine grid of s-seeds at different metallicities and 13C-pocket efficiencies is considered. A galactic chemical evolution model is used to predict the contribution of SNIa to the solar system p-nuclei composition measured in meteorites. Nuclear physics uncertainties are critical to determine the role of SNeIa in the production of 92Nb and 146Sm. We find that, if standard Chandrasekhar-mass SNeIa are at least 50% of all SNIa, they are strong candidates for reproducing the radiogenic p-process signature observed in meteorites.

  18. Chemical evolution using SPH cosmological simulations. I implementation, tests and first results

    CERN Document Server

    Mosconi, M B; Lambas, D G; Cora, S A

    2000-01-01

    We develop a model to implement metal enrichment in a cosmological context based on the hydrodynamical AP3MSPH code described by Tissera, Lambas and Abadi (1997). The star formation model is based on the Schmidt law and has been modified in order to describe the transformation of gas into stars in more detail. The enrichment of the interstellar medium due to supernovae I and II explosions is taken into account by assuming a Salpeter Initial Mass Function and different nucleosynthesis models.The different chemical elements are mixed within the gaseous medium according to the Smooth Particle Hydrodynamics technique.We have performed cosmological simulations in a standard Cold Dark Matter scenario and we present results of the analysis of the star formation and chemical properties of the interstellar medium and stellar population of the simulated galactic objects. We have compared the results of the simulations with an implementation of the one-zone Simple Model, finding significant differences in the global met...

  19. Hints on halo evolution in SFDM models with galaxy observations

    CERN Document Server

    Gonzalez-Morales, Alma X; Urena-Lopez, L Arturo; Valenzuela, Octavio

    2012-01-01

    A massive, self-interacting scalar field has been considered as a possible candidate for the dark matter in the universe. We present an observational constraint to the model arising from strong lensing observations in galaxies. The result points to a discrepancy in the properties of scalar field dark matter halos for dwarf and lens galaxies, mainly because halo parameters are directly related to physical quantities in the model. This is an important indication that it becomes necessary to have a better understanding of halo evolution in scalar field dark matter models, where the presence of baryons can play an important role.

  20. Interaction Strength and a Generalized Bak-Sneppen Evolution Model

    Institute of Scientific and Technical Information of China (English)

    李炜; 蔡勖

    2002-01-01

    The Bak-Sneppen evolution model is generalized in terms of a new concept and quantity: interaction strength.Based on a quantitative definition, the interaction strength describes the strength of the interaction between thenearest-neighbour individuals in the model Self-organized criticality is observed for the generalized model withten different values of interaction strength. The gap equation governing the self-organization is derived. It is alsofound that the self-organized threshold depends on the value of the interaction strength.

  1. Supernova-driven outflows and chemical evolution of dwarf spheroidal galaxies.

    Science.gov (United States)

    Qian, Yong-Zhong; Wasserburg, G J

    2012-03-27

    We present a general phenomenological model for the metallicity distribution (MD) in terms of [Fe/H] for dwarf spheroidal galaxies (dSphs). These galaxies appear to have stopped accreting gas from the intergalactic medium and are fossilized systems with their stars undergoing slow internal evolution. For a wide variety of infall histories of unprocessed baryonic matter to feed star formation, most of the observed MDs can be well described by our model. The key requirement is that the fraction of the gas mass lost by supernova-driven outflows is close to unity. This model also predicts a relationship between the total stellar mass and the mean metallicity for dSphs in accord with properties of their dark matter halos. The model further predicts as a natural consequence that the abundance ratios [E/Fe] for elements such as O, Mg, and Si decrease for stellar populations at the higher end of the [Fe/H] range in a dSph. We show that, for infall rates far below the net rate of gas loss to star formation and outflows, the MD in our model is very sharply peaked at one [Fe/H] value, similar to what is observed in most globular clusters. This result suggests that globular clusters may be end members of the same family as dSphs.

  2. Phylogenetic ANOVA: The Expression Variance and Evolution Model for Quantitative Trait Evolution.

    Science.gov (United States)

    Rohlfs, Rori V; Nielsen, Rasmus

    2015-09-01

    A number of methods have been developed for modeling the evolution of a quantitative trait on a phylogeny. These methods have received renewed interest in the context of genome-wide studies of gene expression, in which the expression levels of many genes can be modeled as quantitative traits. We here develop a new method for joint analyses of quantitative traits within- and between species, the Expression Variance and Evolution (EVE) model. The model parameterizes the ratio of population to evolutionary expression variance, facilitating a wide variety of analyses, including a test for lineage-specific shifts in expression level, and a phylogenetic ANOVA that can detect genes with increased or decreased ratios of expression divergence to diversity, analogous to the famous Hudson Kreitman Aguadé (HKA) test used to detect selection at the DNA level. We use simulations to explore the properties of these tests under a variety of circumstances and show that the phylogenetic ANOVA is more accurate than the standard ANOVA (no accounting for phylogeny) sometimes used in transcriptomics. We then apply the EVE model to a mammalian phylogeny of 15 species typed for expression levels in liver tissue. We identify genes with high expression divergence between species as candidates for expression level adaptation, and genes with high expression diversity within species as candidates for expression level conservation and/or plasticity. Using the test for lineage-specific expression shifts, we identify several candidate genes for expression level adaptation on the catarrhine and human lineages, including genes putatively related to dietary changes in humans. We compare these results to those reported previously using a model which ignores expression variance within species, uncovering important differences in performance. We demonstrate the necessity for a phylogenetic model in comparative expression studies and show the utility of the EVE model to detect expression divergence

  3. Evolution of the distribution of tropospheric chemical species during the past decade

    Science.gov (United States)

    D'Angiola, Ariela; Granier, Claire; Bessagnet, Bertrand; Heil, Angelika; Khokhar, Fahim; Guenther, Alex; Jean-Francois, Lamarque; Meleux, Frederik; Mieville, Aude; Rouil, Laurence

    2010-05-01

    Megacities, with a population exceeding ten million inhabitants, represent hot spots of emissions that need to be correctly quantified in order to evaluate their effects at the local, regional and global scale. Within the 7th Framework European project CityZen (Megacity - Zoom for the Environment), the impact of changes in emissions on the global distributions of chemical compounds is being assessed, with a focus on the impact of megacities in Europe, Northern Africa and China. The goal of the project is to comprehend the feedbacks between climate change and air quality from the largest world cities at the global and regional scales. In order to simulate the changes in the distribution of gaseous compounds as well as aerosols we have used the MOZART (Model for OZone And Related chemical Tracers) global chemistry transport model. This model is driven by offline meteorological fields: for the present study we have used the meteorological fields provided by the National Center for Environmental Prediction (NCEP). The focus of the study is the 1996-2007 period, during which the changes in the distribution of the chemical compounds related to changes in emissions during that period will be discussed. The global emissions used in the present study are derived from the new dataset developed in support of the next IPCC (Intergovernmental Panel on Climate Change) AR5 report under discussion. We will discuss the methodology we have used to update the IPCC anthropogenic emissions up to year 2007. The new emissions inventory for Europe developed within CityZen for the 1996-2007 period will be discussed and compared with the emissions provided by other inventories. Furthermore, we will discuss the biomass burning inventory used in this work, which provides monthly averaged emissions for the full period of the study. Emissions of biogenic volatile organic compounds are derived from the most recent version of the MEGAN (Model of Emissions of Gases and Aerosols from Nature) model

  4. Evolution of microbiological and physico-chemical quality of pasteurized milk

    Directory of Open Access Journals (Sweden)

    Natalia Gonzaga

    2015-11-01

    Full Text Available Milk quality is defined, among other parameters, by a reduced number of spoilage microorganisms, low somatic cell count and the absence of pathogens and chemical waste. Several studies conducted in different regions of the country have emphasized the high percentage of samples not complying with the standard. The purpose of this study was to evaluate the evolution of microbiological and physicochemical quality of pasteurized milk produced in the State of Paraná over 7 years. A total of 457 samples of pasteurized milk were analyzed, 104 samples in 2008, 269 samples in 2011 and 84 samples in 2014. The samples were subjected to physicochemical analysis of cryoscopy and enzyme search for alkaline phosphatase and peroxidase. Regarding microbiological tests, coliform counts were performed at 30°C and 45°C and count plate pattern. In the laboratory, physicochemical analysis were performed according to the Normative 68 and microbiological as normative instruction 62, both of the Brazilian Ministry of Agriculture, Livestock and Food Supply. The results showed that over the years the microbiological quality of milk decreased, with an increase of non-standard samples. For enzymes alkaline phosphatase, peroxidase, the pasteurization temperature has been observed over time and the overheating of the milk was more frequent in 2011. Fraud by addition of water in milk has either decreased or become more sophisticated, making its detection difficult.

  5. Nano-scale chemical evolution in a proton-and neutron-irradiated Zr alloy

    Science.gov (United States)

    Harte, Allan; Topping, M.; Frankel, P.; Jädernäs, D.; Romero, J.; Hallstadius, L.; Darby, E. C.; Preuss, M.

    2017-04-01

    Proton-and neutron-irradiated Zircaloy-2 are compared in terms of the nano-scale chemical evolution within second phase particles (SPPs) Zr(Fe,Cr)2 and Zr2(Fe,Ni). This is accomplished through ultra-high spatial resolution scanning transmission electron microscopy and the use of energy-dispersive X-ray spectroscopic methods. Fe-depletion is observed from both SPP types after irradiation with both irradiative species, but is heterogeneous in the case of Zr(Fe,Cr)2, predominantly from the edge region, and homogeneously in the case of Zr2(Fe,Ni). Further, there is evidence of a delay in the dissolution of the Zr2(Fe,Ni) SPP with respect to the Zr(Fe,Cr)2. As such, SPP dissolution results in matrix supersaturation with solute under both irradiative species and proton irradiation is considered well suited to emulate the effects of neutron irradiation in this context. The mechanisms of solute redistribution processes from SPPs and the consequences for irradiation-induced growth phenomena are discussed.

  6. Organics Produced by Irradiation of Frozen and Liquid HCN Solutions: Implications for Chemical Evolution Studies

    Science.gov (United States)

    Colín-García, M.; Negrón-Mendoza, A.; Ramos-Bernal, S.

    2009-04-01

    Hydrogen cyanide (HCN), an important precursor of organic compounds, is widely present in extraterrestrial environments. HCN is also readily synthesized in prebiotic simulation experiments. To gain insight into the radiation chemistry of one of the most important and highly versatile constituents of cometary ices, we examined the behavior of over-irradiated frozen and liquid HCN solutions under ionizing radiation. The samples were exposed to gamma radiation at a dose range from 0 up to 419 kGy. Ultraviolet spectroscopy and gas chromatography were used to follow the process. The analyses confirmed that gamma-ray irradiation of liquid HCN solutions generates several organic products. Many of them are essential to life; we verified the presence of carboxylic acids (some of them members of the Krebs cycle) as well as free amino acids and urea. These are the first studies to reveal the presence of these compounds in experiments performed at low temperatures and bulk irradiation. Organic material was produced even at low temperatures and low radiation doses. This work strongly supports the presumption that, as a parent molecule, HCN played a central essential role in the process of chemical evolution on early Earth, comets, and other extraterrestrial environments.

  7. Microstructure and chemical bond evolution of diamond-like carbon films machined by femtosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jing; Wang, Chunhui [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yongsheng, E-mail: yongshengliu@nwpu.edu.cn [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an 710072 (China); Cheng, Laifei [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an 710072 (China); Li, Weinan [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an 10068 (China); Zhang, Qing [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an 710072 (China); Yang, Xiaojun [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an 10068 (China)

    2015-06-15

    Highlights: • The machining depth was essentially proportional to the laser power. • The well patterned microgrooves and ripple structures with nanoparticles were formed distinctly in the channels. And the number of nanoparticles increased with the processing power as well. • It revealed a conversion from amorphous carbon to nanocrystalline graphite after laser treated with increasing laser power. • It showed that a great decrease of sp{sup 3}/sp{sup 2} after laser treatment. - Abstract: Femtosecond laser is of great interest for machining high melting point and hardness materials such as diamond-like carbon, SiC ceramic, et al. In present work, the microstructural and chemical bond evolution of diamond-like carbon films were investigated using electron microscopy and spectroscopy techniques after machined by diverse femtosecond laser power in air. The results showed the machining depth was essentially proportional to the laser power. The well patterned microgrooves and ripple structures with nanoparticles were formed distinctly in the channels. Considering the D and G Raman band parameters on the laser irradiation, it revealed a conversion from amorphous carbon to nanocrystalline graphite after laser treated with increasing laser power. X-ray photoelectron spectroscopy analysis showed a great decrease of sp{sup 3}/sp{sup 2} after laser treatment.

  8. Enhanced hydrogen evolution catalysis from chemically exfoliated metallic MoS2 nanosheets.

    Science.gov (United States)

    Lukowski, Mark A; Daniel, Andrew S; Meng, Fei; Forticaux, Audrey; Li, Linsen; Jin, Song

    2013-07-17

    Promising catalytic activity from molybdenum disulfide (MoS2) in the hydrogen evolution reaction (HER) is attributed to active sites located along the edges of its two-dimensional layered crystal structure, but its performance is currently limited by the density and reactivity of active sites, poor electrical transport, and inefficient electrical contact to the catalyst. Here we report dramatically enhanced HER catalysis (an electrocatalytic current density of 10 mA/cm(2) at a low overpotential of -187 mV vs RHE and a Tafel slope of 43 mV/decade) from metallic nanosheets of 1T-MoS2 chemically exfoliated via lithium intercalation from semiconducting 2H-MoS2 nanostructures grown directly on graphite. Structural characterization and electrochemical studies confirmed that the nanosheets of the metallic MoS2 polymorph exhibit facile electrode kinetics and low-loss electrical transport and possess a proliferated density of catalytic active sites. These distinct and previously unexploited features of 1T-MoS2 make these metallic nanosheets a highly competitive earth-abundant HER catalyst.

  9. Organics produced by irradiation of frozen and liquid HCN solutions: implications for chemical evolution studies.

    Science.gov (United States)

    Colín-García, M; Negrón-Mendoza, A; Ramos-Bernal, S

    2009-04-01

    Hydrogen cyanide (HCN), an important precursor of organic compounds, is widely present in extraterrestrial environments. HCN is also readily synthesized in prebiotic simulation experiments. To gain insight into the radiation chemistry of one of the most important and highly versatile constituents of cometary ices, we examined the behavior of over-irradiated frozen and liquid HCN solutions under ionizing radiation. The samples were exposed to gamma radiation at a dose range from 0 up to 419 kGy. Ultraviolet spectroscopy and gas chromatography were used to follow the process. The analyses confirmed that gamma-ray irradiation of liquid HCN solutions generates several organic products. Many of them are essential to life; we verified the presence of carboxylic acids (some of them members of the Krebs cycle) as well as free amino acids and urea. These are the first studies to reveal the presence of these compounds in experiments performed at low temperatures and bulk irradiation. Organic material was produced even at low temperatures and low radiation doses. This work strongly supports the presumption that, as a parent molecule, HCN played a central essential role in the process of chemical evolution on early Earth, comets, and other extraterrestrial environments.

  10. On the formation and evolution of magnetic chemically peculiar stars in the solar neighborhood

    CERN Document Server

    Poehnl, H; Maitzen, H M

    2005-01-01

    In order to put strict observational constraints on the evolutionary status of the magnetic chemically peculiar stars (CP2) of the upper main sequence, we have investigated a well established sample of galactic field CP2 objects within a radius of 200pc from the Sun in the (X,Y) plane. In total, 182 stars with accurate parallax measurements from the Hipparcos satellite were divided into Si, SiCr and SrCrEu subgroups based on classification resolution data from the literature. Primarily, it was investigated if the CP2 phenomenon occurs at very early stages of the stellar evolution, significantly before these stars reach 30% of their life-time on the main sequence. This result is especially important for theories dealing with stellar dynamos, angular momentum loss during the pre- as well as main sequence and stellar evolutionary codes for CP2 stars. For the calibration of the chosen sample, the well-developed framework of the Geneva 7-color and Stromgren uvbybeta photometric system was used. We are able to show...

  11. Bimodal chemical evolution of the Galactic disk and the Barium abundance of Cepheids

    CERN Document Server

    Lepine, Jacques R D; Barros, Douglas A; Junqueira, Thiago C; Scarano, Sergio

    2013-01-01

    In order to understand the Barium abundance distribution in the Galactic disk based on Cepheids, one must first be aware of important effects of the corotation resonance, situated a little beyond the solar orbit. The thin disk of the Galaxy is divided in two regions that are separated by a barrier situated at that radius. Since the gas cannot get across that barrier, the chemical evolution is independent on the two sides of it. The barrier is caused by the opposite directions of flows of gas, on the two sides, in addition to a Cassini-like ring void of HI (caused itself by the flows). A step in the metallicity gradient developed at corotation, due to the difference in the average star formation rate on the two sides, and to this lack of communication between them. In connection with this, a proof that the spiral arms of our Galaxy are long-lived (a few billion years) is the existence of this step. When one studies the abundance gradients by means of stars which span a range of ages, like the Cepheids, one has...

  12. Recharge in northern clime calcareous sandy soils: soil water chemical and carbon-14 evolution

    Science.gov (United States)

    Reardon, E. J.; Mozeto, A. A.; Fritz, P.

    1980-11-01

    Chemical analyses were performed on soil water extracted from two cores taken from a sandy calcareous soil near Delhi, Ontario. Calcite saturation is attained within the unsaturated zone over short distances and short periods of time, whereas dolomite undersaturation persists to the groundwater table. The progressive dissolution of dolomite by soil water, within the unsaturated zone, after calcite saturation is reached results in calcite supersaturation. Deposition of iron and manganese oxyhydroxide phases occurs at the carbonate leached/unleached zone boundary. This is a result of soil water neutralization due to carbonate dissolution during infiltration but may also reflect the increased rate of oxidation of dissolved ferrous and manganous ions at higher pH's. The role of bacteria in this process has not been investigated. The depth of the carbonate leached/unleached zone boundary in a calcareous soil has important implications for 14C groundwater dating. The depth of this interface at the study site (-2 m) does not appear to limit 14C diffusion from the root zone to the depth at which carbonate dissolution occurs. Thus, soil water achieves open system isotopic equilibrium with the soil CO 2 gas phase. It is calculated that in soils with similar physical properties to the study soil but with depths of leaching of 5 m or more, complete 14C isotopic equilibration of soil water with soil gas would not occur. Soil water, under these conditions would recharge to the groundwater exhibiting some degree of closed system 14C isotopic evolution.

  13. The Influence of Environment on the Chemical Evolution in Low-mass Galaxies

    CERN Document Server

    Liu, Yiqing; Peng, Eric

    2016-01-01

    The mean alpha-to-iron abundance ratio ([$\\alpha$/Fe]) of galaxies is sensitive to the chemical evolution processes at early time, and it is an indicator of star formation timescale ($\\tau_{{\\rm SF}}$). Although the physical reason remains ambiguous, there is a tight relation between [$\\alpha$/Fe] and stellar velocity dispersion ($\\sigma$) among massive early-type galaxies (ETGs). However, no work has shown convincing results as to how this relation behaves at low masses. We assemble 15 data sets from the literature and build a large sample that includes 192 nearby low-mass ($18<\\sigma<80$~\\kms) ETGs. We find that the [$\\alpha$/Fe]-$\\sigma$ relation generally holds for low-mass ETGs, except in extreme environments. Specifically, in normal galaxy cluster environments, the [$\\alpha$/Fe]-$\\sigma$ relation and its intrinsic scatter are, within uncertainties, similar for low-mass and high-mass ETGs. However, in the most massive relaxed galaxy cluster in our sample, the zero point of the relation is higher an...

  14. Chemical Evolution in High-Mass Star-Forming Regions: Results from the MALT90 Survey

    CERN Document Server

    Hoq, Sadia; Foster, Jonathan B; Sanhueza, Patricio; Guzman, Andres; Whitaker, J Scott; Claysmith, Christopher; Rathborne, Jill M; Vasyunina, Tatiana; Vasyunin, Anton

    2013-01-01

    The chemical changes of high-mass star-forming regions provide a potential method for classifying their evolutionary stages and, ultimately, ages. In this study, we search for correlations between molecular abundances and the evolutionary stages of dense molecular clumps associated with high-mass star formation. We use the molecular line maps from Year 1 of the Millimetre Astronomy Legacy Team 90 GHz (MALT90) Survey. The survey mapped several hundred individual star-forming clumps chosen from the ATLASGAL survey to span the complete range of evolution, from prestellar to protostellar to H II regions. The evolutionary stage of each clump is classified using the Spitzer GLIMPSE/MIPSGAL mid-IR surveys. Where possible, we determine the dust temperatures and H2 column densities for each clump from Herschel Hi-GAL continuum data. From MALT90 data, we measure the integrated intensities of the N2H+, HCO+, HCN and HNC (1-0) lines, and derive the column densities and abundances of N2H+ and HCO+. The Herschel dust tempe...

  15. Introducing Graduate Students to the Chemical Information Landscape: The Ongoing Evolution of a Graduate-Level Chemical Information Course

    Science.gov (United States)

    Currano, Judith N.

    2016-01-01

    The University of Pennsylvania's doctoral chemistry curriculum has included a required course in chemical information since 1995. Twenty years later, the course has evolved from a loosely associated series of workshops on information resources to a holistic examination of the chemical literature and its place in the general research process. The…

  16. Long range anti-ferromagnetic spin model for prebiotic evolution

    Energy Technology Data Exchange (ETDEWEB)

    Nokura, Kazuo [Shonan Institute of Technology, Fujisawa 251-8511 (Japan)

    2003-11-28

    I propose and discuss a fitness function for one-dimensional binary monomer sequences of macromolecules for prebiotic evolution. The fitness function is defined by the free energy of polymers in the high temperature random coil phase. With repulsive interactions among the same kind of monomers, the free energy in the high temperature limit becomes the energy function of the one-dimensional long range anti-ferromagnetic spin model, which is shown to have a dynamical phase transition and glassy states.

  17. Modeling evolution of insect resistance to genetically modified crops

    OpenAIRE

    2015-01-01

    Genetically modified crops producing insecticidal proteins from Bacillus thuringiensis (Bt) for insect control have been planted on more than 200 million ha worldwide since 1996 [1]. Evolution of resistance by insect pests threatens the continued success of Bt crops [2, 3]. To delay pest resistance, refuges of non-Bt crops are planted near Bt crops to allow survival of susceptible pests [4, 5]. We used computer simulations of a population genetic model to determine if predictions from the the...

  18. Modeling the Microstructural Evolution during Hot Deformation of Microalloyed Steels

    OpenAIRE

    Bäcke, Linda

    2009-01-01

      This thesis contains the development of a physically-based model describing the microstructural evolution during hot deformation of microalloyed steels. The work is mainly focused on the recrystallization kinetics. During hot rolling, the repeated deformation and recrystallization provides progressively refined recrystallized grains. Also, recrystallization enables the material to be deformed more easily and knowledge of the recrystallization kinetics is important in order to predict the re...

  19. THE COMPARATIVE CHEMICAL EVOLUTION OF AN ISOLATED DWARF GALAXY: A VLT AND KECK SPECTROSCOPIC SURVEY OF WLM

    Energy Technology Data Exchange (ETDEWEB)

    Leaman, Ryan; Venn, Kim A.; Mendel, J. Trevor [Department of Physics and Astronomy, University of Victoria, Victoria, BC V8P 1A1 (Canada); Brooks, Alyson M. [California Institute of Technology, M/C 350-17, Pasadena, CA 91125 (United States); Battaglia, Giuseppina [INAF-Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127 Bologna (Italy); Cole, Andrew A. [School of Mathematics and Physics, University of Tasmania, Private Bag 37, Hobart, TAS (Australia); Ibata, Rodrigo A. [Observatoire Astronomique, Universite de Strasbourg, CNRS, 11 rue de l' Universite, F-67000 Strasbourg (France); Irwin, Mike J. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); McConnachie, Alan W. [National Research Council of Canada, Herzberg Institute of Astrophysics, 5071 West Saanich Road, Victoria BC V9E 2E7 (Canada); Starkenburg, Else; Tolstoy, Eline, E-mail: rleaman@iac.es [Kapteyn Institute, University of Groningen, Postbus 800, 9700 AV Groningen (Netherlands)

    2013-04-20

    Building on our previous spectroscopic and photometric analysis of the isolated Local Group dwarf irregular (dIrr) galaxy WLM, we present a comparison of the metallicities of its red giant branch stars with respect to the well-studied Local Group dwarf spheroidal galaxies (dSphs) and Magellanic Clouds. We calculate a mean metallicity of [Fe/H] =-1.28 {+-} 0.02 and an intrinsic spread in metallicity of {sigma} = 0.38 {+-} 0.04 dex, similar to the mean and spread observed in the massive dSph Fornax and the Small Magellanic Cloud. Thus, despite WLM's isolated environment, its global metallicity still follows expectations for mass and its global chemical evolution is similar to other nearby luminous dwarf galaxies (gas-rich or gas-poor). The data also show a radial gradient in [Fe/H] of d[Fe/H]/dr{sub c} = -0.04 {+-} 0.04 dex r{sub c}{sup -1}, which is flatter than that seen in the unbiased and spatially extended surveys of dSphs. Comparison of the spatial distribution of [Fe/H] in WLM, the Magellanic Clouds, and a sample of Local Group dSphs shows an apparent dichotomy in the sense that the dIrrs have statistically flatter radial [Fe/H] gradients than the low angular momentum dSphs. The correlation between angular momentum and radial metallicity gradient is further supported when considering the Local Group dEs. This chemodynamic relationship offers a new and useful constraint for environment-driven dwarf galaxy evolution models in the Local Group.

  20. A quantitative model for integrating landscape evolution and soil formation

    Science.gov (United States)

    Vanwalleghem, T.; Stockmann, U.; Minasny, B.; McBratney, Alex B.

    2013-06-01

    evolution is closely related to soil formation. Quantitative modeling of the dynamics of soils and landscapes should therefore be integrated. This paper presents a model, named Model for Integrated Landscape Evolution and Soil Development (MILESD), which describes the interaction between pedogenetic and geomorphic processes. This mechanistic model includes the most significant soil formation processes, ranging from weathering to clay translocation, and combines these with the lateral redistribution of soil particles through erosion and deposition. The model is spatially explicit and simulates the vertical variation in soil horizon depth as well as basic soil properties such as texture and organic matter content. In addition, sediment export and its properties are recorded. This model is applied to a 6.25 km2 area in the Werrikimbe National Park, Australia, simulating soil development over a period of 60,000 years. Comparison with field observations shows how the model accurately predicts trends in total soil thickness along a catena. Soil texture and bulk density are predicted reasonably well, with errors of the order of 10%, however, field observations show a much higher organic carbon content than predicted. At the landscape scale, different scenarios with varying erosion intensity result only in small changes of landscape-averaged soil thickness, while the response of the total organic carbon stored in the system is higher. Rates of sediment export show a highly nonlinear response to soil development stage and the presence of a threshold, corresponding to the depletion of the soil reservoir, beyond which sediment export drops significantly.

  1. Spin Glass Models of Syntax and Language Evolution

    CERN Document Server

    Siva, Karthik; Marcolli, Matilde

    2015-01-01

    Using the SSWL database of syntactic parameters of world languages, and the MIT Media Lab data on language interactions, we construct a spin glass model of language evolution. We treat binary syntactic parameters as spin states, with languages as vertices of a graph, and assigned interaction energies along the edges. We study a rough model of syntax evolution, under the assumption that a strong interaction energy tends to cause parameters to align, as in the case of ferromagnetic materials. We also study how the spin glass model needs to be modified to account for entailment relations between syntactic parameters. This modification leads naturally to a generalization of Potts models with external magnetic field, which consists of a coupling at the vertices of an Ising model and a Potts model with q=3, that have the same edge interactions. We describe the results of simulations of the dynamics of these models, in different temperature and energy regimes. We discuss the linguistic interpretation of the paramete...

  2. Potts Flux Tube Model at Nonzero Chemical Potential

    CERN Document Server

    Condella, J; Condella, Jac; Tar, Carleton De

    2000-01-01

    We model the deconfinement phase transition in quantum chromodynamics at nonzero baryon number density and large quark mass by extending the flux tube model (three-state, three-dimensional Potts model) to nonzero chemical potential. In a direct numerical simulation we confirm mean-field-theory predictions that the deconfinement transition does not occur in a baryon-rich environment.

  3. NONLINEAR MODEL PREDICTIVE CONTROL OF CHEMICAL PROCESSES

    Directory of Open Access Journals (Sweden)

    R. G. SILVA

    1999-03-01

    Full Text Available A new algorithm for model predictive control is presented. The algorithm utilizes a simultaneous solution and optimization strategy to solve the model's differential equations. The equations are discretized by equidistant collocation, and along with the algebraic model equations are included as constraints in a nonlinear programming (NLP problem. This algorithm is compared with the algorithm that uses orthogonal collocation on finite elements. The equidistant collocation algorithm results in simpler equations, providing a decrease in computation time for the control moves. Simulation results are presented and show a satisfactory performance of this algorithm.

  4. A coupled mechanical and chemical damage model for concrete affected by alkali–silica reaction

    Energy Technology Data Exchange (ETDEWEB)

    Pignatelli, Rossella, E-mail: rossellapignatelli@gmail.com [Department of Civil and Environmental Engineering, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Lombardi Ingegneria S.r.l., Via Giotto 36, 20145 Milano (Italy); Comi, Claudia, E-mail: comi@stru.polimi.it [Department of Civil and Environmental Engineering, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Monteiro, Paulo J.M., E-mail: monteiro@ce.berkeley.edu [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

    2013-11-15

    To model the complex degradation phenomena occurring in concrete affected by alkali–silica reaction (ASR), we formulate a poro-mechanical model with two isotropic internal variables: the chemical and the mechanical damage. The chemical damage, related to the evolution of the reaction, is caused by the pressure generated by the expanding ASR gel on the solid concrete skeleton. The mechanical damage describes the strength and stiffness degradation induced by the external loads. As suggested by experimental results, degradation due to ASR is considered to be localized around reactive sites. The effect of the degree of saturation and of the temperature on the reaction development is also modeled. The chemical damage evolution is calibrated using the value of the gel pressure estimated by applying the electrical diffuse double-layer theory to experimental values of the surface charge density in ASR gel specimens reported in the literature. The chemo-damage model is first validated by simulating expansion tests on reactive specimens and beams; the coupled chemo-mechanical damage model is then employed to simulate compression and flexure tests results also taken from the literature. -- Highlights: •Concrete degradation due to ASR in variable environmental conditions is modeled. •Two isotropic internal variables – chemical and mechanical damage – are introduced. •The value of the swelling pressure is estimated by the diffuse double layer theory. •A simplified scheme is proposed to relate macro- and microscopic properties. •The chemo-mechanical damage model is validated by simulating tests in literature.

  5. Models for the directed evolution of bacterial allelopathy: bacteriophage lysins

    Directory of Open Access Journals (Sweden)

    James J. Bull

    2015-04-01

    Full Text Available Microbes produce a variety of compounds that are used to kill or suppress other species. Traditional antibiotics have their origins in these natural products, as do many types of compounds being pursued today in the quest for new antibacterial drugs. When a potential toxin can be encoded by and exported from a species that is not harmed, the opportunity exists to use directed evolution to improve the toxin’s ability to kill other species—allelopathy. In contrast to the typical application of directed evolution, this case requires the co-culture of at least two species or strains, a host that is unharmed by the toxin plus the intended target of the toxin. We develop mathematical and computational models of this directed evolution process. Two contexts are considered, one with the toxin encoded on a plasmid and the other with the toxin encoded in a phage. The plasmid system appears to be more promising than the phage system. Crucial to both designs is the ability to co-culture two species/strains (host and target such that the host is greatly outgrown by the target species except when the target species is killed. The results suggest that, if these initial conditions can be satisfied, directed evolution is feasible for the plasmid-based system. Screening with a plasmid-based system may also enable rapid improvement of a toxin.

  6. Models for the directed evolution of bacterial allelopathy: bacteriophage lysins.

    Science.gov (United States)

    Bull, James J; Crandall, Cameron; Rodriguez, Anna; Krone, Stephen M

    2015-01-01

    Microbes produce a variety of compounds that are used to kill or suppress other species. Traditional antibiotics have their origins in these natural products, as do many types of compounds being pursued today in the quest for new antibacterial drugs. When a potential toxin can be encoded by and exported from a species that is not harmed, the opportunity exists to use directed evolution to improve the toxin's ability to kill other species-allelopathy. In contrast to the typical application of directed evolution, this case requires the co-culture of at least two species or strains, a host that is unharmed by the toxin plus the intended target of the toxin. We develop mathematical and computational models of this directed evolution process. Two contexts are considered, one with the toxin encoded on a plasmid and the other with the toxin encoded in a phage. The plasmid system appears to be more promising than the phage system. Crucial to both designs is the ability to co-culture two species/strains (host and target) such that the host is greatly outgrown by the target species except when the target species is killed. The results suggest that, if these initial conditions can be satisfied, directed evolution is feasible for the plasmid-based system. Screening with a plasmid-based system may also enable rapid improvement of a toxin.

  7. Dynamical Models Explaining Social Balance and Evolution of Cooperation

    CERN Document Server

    Traag, V A; De Leenheer, P

    2013-01-01

    In social networks with positive and negative links the dominant theory of explaining its structure is that of social balance. The theory states that a network is balanced if its triads are balanced. Such a balanced network can be split into (at most) two opposing factions with positive links within a faction and negative links between them. Although inherently dynamical, the theory has long remained static, with a focus on finding such partitions. Recently however, a dynamical model was introduced which was shown to converge to a socially balanced state for certain symmetric initial conditions. Here we show this does not hold for general (non-symmetric) initial conditions. We propose an alternative model and show that it does converge to a socially balanced state generically. Moreover, in a basic model of evolution of cooperation of indirect reciprocity, the alternative model has an evolutionary advantage compared to the earlier model. The principal difference between the two models can be understood in term...

  8. The Evolution of the AGN population in the MORGANA model

    Science.gov (United States)

    Fontanot, F.; Monaco, P.; Cristiani, S.; Tozzi, P.

    2008-10-01

    We present the results of the MOdel for the Rise of Galaxies aNd Agns (MORGANA), that includes in a self-consistent way the accretion of matter onto Super-Massive Black Holes. We compare MORGANA predictions to the observed evolution of the AGN space density (inferred from optical and X-ray surveys) and we find that that it is possible to reproduce the apparent downsizing of the AGN population in the framework of concordance cosmology. We will show that this result is likely due to the improved treatment of gas cooling and feedback in MORGANA, and in particular to the modeling of the stellar kinetic feedback, arising in star-forming bulges as a consequence of the level of turbolence. On the other hand, the predicted low-mass end of BH-bulge relation is steeper than observed: we discuss this disagreement on the light of the predicted excess of small bulges, which is common to several models of galaxy formation and evolution. Finally we will show that a stronger constrain on the relative importance of the physical processes involved in the build up of the AGN population move from the observed redshift evolution of the BH-Bulge relation.

  9. Bayesian nonparametric clustering in phylogenetics: modeling antigenic evolution in influenza.

    Science.gov (United States)

    Cybis, Gabriela B; Sinsheimer, Janet S; Bedford, Trevor; Rambaut, Andrew; Lemey, Philippe; Suchard, Marc A

    2017-01-18

    Influenza is responsible for up to 500,000 deaths every year, and antigenic variability represents much of its epidemiological burden. To visualize antigenic differences across many viral strains, antigenic cartography methods use multidimensional scaling on binding assay data to map influenza antigenicity onto a low-dimensional space. Analysis of such assay data ideally leads to natural clustering of influenza strains of similar antigenicity that correlate with sequence evolution. To understand the dynamics of these antigenic groups, we present a framework that jointly models genetic and antigenic evolution by combining multidimensional scaling of binding assay data, Bayesian phylogenetic machinery and nonparametric clustering methods. We propose a phylogenetic Chinese restaurant process that extends the current process to incorporate the phylogenetic dependency structure between strains in the modeling of antigenic clusters. With this method, we are able to use the genetic information to better understand the evolution of antigenicity throughout epidemics, as shown in applications of this model to H1N1 influenza. Copyright © 2017 John Wiley & Sons, Ltd.

  10. Models of evolution of gas and abundances in dwarf irregular galaxies

    CERN Document Server

    Gavilan, M; Díaz, A I

    2009-01-01

    We have developed a grid of chemical evolution models applied to dwarf isolated galaxies, using \\cite{gav05} yields. The input data enclose different star formation efficiencies, galaxy mass and collapse time values. The result is a wide collection of solutions that vary from objects with low metallicity and great amount of gas, to those with little gas and high metallicity. No environmental effects like tidal or galactic winds have been treated, so these objects are expected to be close to field dwarf galaxies, more than cluster ones. We have studied the time evolution of the abundance of oxygen and nitrogen and the amount of gas, related to their star formation history, as well as the possibility of gas losses by SN winds.

  11. Chemical evolution in the environment of intermediate mass young stellar objects

    Science.gov (United States)

    Fuente, A.; Rizzo, J. R.; Caselli, P.; Bachiller, R.; Henkel, C.

    2005-04-01

    We have carried out a molecular survey of the Class 0 IM protostar NGC 7129 - FIRS 2 (hereafter FIRS 2) and the Herbig Be star LkHα 234 with the aim of studying the chemical evolution of the envelopes of intermediate-mass (IM) young stellar objects (YSOs). The two objects have similar luminosities (~500 L_⊙) and are located in the same molecular cloud which minimizes the chemical differences due to different stellar masses or initial cloud conditions. Moreover, since they are located at the same distance, we have the same spatial resolution in both objects. A total of 17 molecular species (including rare isotopes) have been observed in both objects and the structure of their envelopes and outflows has been determined with unprecedent detail. Our results show that the protostellar envelopes are dispersed and warmed up during the evolution of the YSO into a pre-main sequence star. In fact, the envelope mass decreases by a factor >5 from FIRS 2 to LkHα 234, while the kinetic temperature increases from ~13 K to 28 K. On the other hand, there is no molecular outflow associated with LkHα 234. The molecular outflow seems to stop before the star becomes visible. These physical changes strongly affect the chemistry of their envelopes. The N2H+ and NH3 abundances seem to be quite similar in the two objects. However, the H13CO+ abundance is a factor of ~3 lower in the densest part of FIRS 2 than in LkHα 234, very likely because of depletion. In contrast, the SiO abundance is larger by a factor of ~100 in FIRS 2 than in LkHα 234. CS presents complex behavior since its emission arises in different envelope components (outflow, cold envelope, hot core) and could also suffer from depletion. The CH3OH and H2CO column densities are very similar in FIRS 2 and LkHα 234 which implies that the beam-averaged abundances are a factor >5 larger in LkHα 234 than in FIRS 2. The same is found for the PDR tracers CN and HCN which have similar column densities in both objects. Finally

  12. Center for Integrated Nanotechnologies (CINT) Chemical Release Modeling Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Stirrup, Timothy Scott [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-12-20

    This evaluation documents the methodology and results of chemical release modeling for operations at Building 518, Center for Integrated Nanotechnologies (CINT) Core Facility. This evaluation is intended to supplement an update to the CINT [Standalone] Hazards Analysis (SHA). This evaluation also updates the original [Design] Hazards Analysis (DHA) completed in 2003 during the design and construction of the facility; since the original DHA, additional toxic materials have been evaluated and modeled to confirm the continued low hazard classification of the CINT facility and operations. This evaluation addresses the potential catastrophic release of the current inventory of toxic chemicals at Building 518 based on a standard query in the Chemical Information System (CIS).

  13. Towards consensus in chemical characterization modeling for LCA:

    DEFF Research Database (Denmark)

    Rosenbaum, Ralf; Hauschild, Michael Zwicky; Bachmann, Till;

    2006-01-01

    A comprehensive LCIA characterization model comparison is being undertaken in the UNEP/SETAC Life Cycle Initiative, focusing on toxicity impacts and directly involving the developers of all models included. The main objective is to identify where differences come from, what indispensable model...... components are and if there can be a consensus model built from them, leading towards recommended practice in chemical characterization for LCIA. The models were selected in an open process inviting all models identified to be capable of characterizing a chemical in terms of environmental fate, human...... exposure, human toxicity and ecotoxicity. The invitation was accepted by the developers of CalTOX, IMPACT 2002, USES-LCA, EDIP, WATSON, and EcoSense. A consistent chemical test set comprising 66 organic (generic, amphiphilic and dissociating) and inorganic (metals, salts) compounds was selected...

  14. Chemical Kinetic Models for HCCI and Diesel Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Mehl, M; Sarathy, S M

    2010-11-15

    Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  15. Supernova-driven outflows and chemical evolution of dwarf spheroidal galaxies

    CERN Document Server

    Qian, Yong-Zhong

    2012-01-01

    We present a general phenomenological model for the metallicity distribution (MD) in terms of [Fe/H] for dwarf spheroidal galaxies (dSphs). These galaxies appear to have stopped accreting gas from the intergalactic medium and are fossilized systems with their stars undergoing slow internal evolution. For a wide variety of infall histories of unprocessed baryonic matter to feed star formation, most of the observed MDs can be well described by our model. The key requirement is that the fraction of the gas mass lost by supernova-driven outflows is close to unity. This model also predicts a relationship between the total stellar mass and the mean metallicity for dSphs in accord with properties of their dark matter halos. The model further predicts as a natural consequence that the abundance ratios [E/Fe] for elements such as O, Mg, and Si decrease for stellar populations at the higher end of the [Fe/H] range in a dSph. We show that for infall rates far below the net rate of gas loss to star formation and outflows...

  16. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

    Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

  17. Understanding the evolution of learning by explicitly modeling learning mechanisms

    Institute of Scientific and Technical Information of China (English)

    Michal ARBILLY

    2015-01-01

    Models of the evolution of learning often assume that learning leads to the best solution to any task,and disregard the details of the learning and decision-making process along with its potential pitfalls.These models therefore do not explain instances in the animal behavior literature in which learning leads to maladaptive behaviors.In recent years a growing number of theoretical studies use explicit models of learning mechanisms,offering a fresh perspective on the issue by revealing the dynamics of information acquisition and biases arising from it.These models have pointed out possible learning rules and their adaptive value,and shown that the value of learning may crucially depend on such factors as the layout of the physical environment to be leamed,the structure of the payoffs offered by different alternatives,the risk of failure,characteristics of the learner and social interactions.This review considers the merits of explicit modeling in studying the evolution of learning,describes the kinds of results that can only be obtained from this modeling approach,and outlines directions for future research [Current Zoology 61 (2):341-349,2015].

  18. Modeling protein network evolution under genome duplication and domain shuffling

    Directory of Open Access Journals (Sweden)

    Isambert Hervé

    2007-11-01

    Full Text Available Abstract Background Successive whole genome duplications have recently been firmly established in all major eukaryote kingdoms. Such exponential evolutionary processes must have largely contributed to shape the topology of protein-protein interaction (PPI networks by outweighing, in particular, all time-linear network growths modeled so far. Results We propose and solve a mathematical model of PPI network evolution under successive genome duplications. This demonstrates, from first principles, that evolutionary conservation and scale-free topology are intrinsically linked properties of PPI networks and emerge from i prevailing exponential network dynamics under duplication and ii asymmetric divergence of gene duplicates. While required, we argue that this asymmetric divergence arises, in fact, spontaneously at the level of protein-binding sites. This supports a refined model of PPI network evolution in terms of protein domains under exponential and asymmetric duplication/divergence dynamics, with multidomain proteins underlying the combinatorial formation of protein complexes. Genome duplication then provides a powerful source of PPI network innovation by promoting local rearrangements of multidomain proteins on a genome wide scale. Yet, we show that the overall conservation and topology of PPI networks are robust to extensive domain shuffling of multidomain proteins as well as to finer details of protein interaction and evolution. Finally, large scale features of direct and indirect PPI networks of S. cerevisiae are well reproduced numerically with only two adjusted parameters of clear biological significance (i.e. network effective growth rate and average number of protein-binding domains per protein. Conclusion This study demonstrates the statistical consequences of genome duplication and domain shuffling on the conservation and topology of PPI networks over a broad evolutionary scale across eukaryote kingdoms. In particular, scale

  19. SIGNUM: A Matlab, TIN-based landscape evolution model

    Science.gov (United States)

    Refice, A.; Giachetta, E.; Capolongo, D.

    2012-08-01

    Several numerical landscape evolution models (LEMs) have been developed to date, and many are available as open source codes. Most are written in efficient programming languages such as Fortran or C, but often require additional code efforts to plug in to more user-friendly data analysis and/or visualization tools to ease interpretation and scientific insight. In this paper, we present an effort to port a common core of accepted physical principles governing landscape evolution directly into a high-level language and data analysis environment such as Matlab. SIGNUM (acronym for Simple Integrated Geomorphological Numerical Model) is an independent and self-contained Matlab, TIN-based landscape evolution model, built to simulate topography development at various space and time scales. SIGNUM is presently capable of simulating hillslope processes such as linear and nonlinear diffusion, fluvial incision into bedrock, spatially varying surface uplift which can be used to simulate changes in base level, thrust and faulting, as well as effects of climate changes. Although based on accepted and well-known processes and algorithms in its present version, it is built with a modular structure, which allows to easily modify and upgrade the simulated physical processes to suite virtually any user needs. The code is conceived as an open-source project, and is thus an ideal tool for both research and didactic purposes, thanks to the high-level nature of the Matlab environment and its popularity among the scientific community. In this paper the simulation code is presented together with some simple examples of surface evolution, and guidelines for development of new modules and algorithms are proposed.

  20. An exploratory numerical model of rocky shore profile evolution

    Science.gov (United States)

    Matsumoto, Hironori; Dickson, Mark E.; Kench, Paul S.

    2016-09-01

    Rocky shores occur along much of the world's coastline and include a wide range of coastal morphologies, such as intertidal shore platforms. Considerable research effort has been placed on trying to understand developmental processes on rocky shores, but progress has been forestalled because these landscapes develop slowly and preserve little evidence of evolution through time. This paper presents a new exploratory numerical model developed to study long-term shore profile evolution on rock coasts. The model purposely considers only a limited number of processes, each represented in a highly abstracted way. Despite these simplifications, the model exhibits a large range of emergent shore profile shapes. This behavior is enabled both by broader spatial representation of the driving erosion forces and the flexibility provided by a grid discretization scheme. Initial model testing shows the development of varied rocky profile geometries, ranging from steep plunging cliffs, cliffs with narrow benches, and cliffs with a variety of shore platform shapes. Most of the model geometries are similar to those observed in the field, and model behavior is robust and internally consistent across a relatively large parameter space. This paper provides a detailed description of the new model and its subsequent testing. Emphasis is placed on comparison of model results with published field observations in which morphometric relationships are described between shore platform gradient and tidal range, and platform elevation and platform width. The model adequately simulates these morphometric relationships, while retaining its ability to simulate a wide range of profile shapes. The simplicity of process representations, and the limited number of processes implemented, means that model outputs can be interpreted reasonably easily. Hence, an opportunity is now provided, following the testing described in this paper, to use the model to systematically investigate the broader controlling

  1. The chemodynamical evolution of the Milky Way disc -- A new modeling approach

    CERN Document Server

    Minchev, Ivan; Martig, Marie

    2014-01-01

    Despite the recent advancements in the field of galaxy formation and evolution, fully self-consistent simulations are still unable to make the detailed predictions necessary for the planned and ongoing large spectroscopic and photometry surveys of the Milky Way disc. These difficulties arise from the very uncertain nature of sub-grid physical energy feedback within models, affecting both star formation rates and chemical enrichment. To avoid these problems, we have introduced a new approach which consists of fusing disc chemical evolution models with compatible numerical simulations. We demonstrate the power of this method by showing that a range of observational results can be explained by our new model. We show that due to radial migration from mergers at high redshift and the central bar at later times, a sizable fraction of old metal-poor, high-[alpha/Fe] stars can reach the solar vicinity. This naturally accounts for a number of recent observations related to both the thin and thick discs, despite the fa...

  2. Overdeepening development in a glacial landscape evolution model with quarrying

    DEFF Research Database (Denmark)

    Ugelvig, Sofie Vej; Egholm, D.L.; Iverson, Neal R.;

    In glacial landscape evolution models, subglacial erosion rates are often related to basal sliding or ice discharge by a power-law. This relation can be justified when considering bed abrasion, where rock debris transported in the basal ice drives erosion. However, the relation is not well...... to sudden jumps in erosion rate and fjord formation along margins that experienced periodic ice sheet configurations in the Quaternary. Egholm, D. L. et al. Modeling the flow of glaciers in steep terrains: The integrated second-order shallow ice approximation (iSOSIA). Journal of Geophysical Research, 116...

  3. Geometrothermodynamic model for the evolution of the Universe

    CERN Document Server

    Gruber, Christine

    2016-01-01

    Using the formalism of geometrothermodynamics to derive a fundamental thermodynamic equation, we construct a cosmological model in the framework of relativistic cosmology. In a first step, we describe a system without thermodynamic interaction, and show it to be equivalent to the standard $\\Lambda$CDM paradigm. The second step includes thermodynamic interaction and produces a model consistent with the main features of inflation. With the proposed fundamental equation we are thus able to describe all the known epochs in the evolution of our Universe, starting from the inflationary phase.

  4. Core formation, evolution, and convection - A geophysical model

    Science.gov (United States)

    Ruff, L.; Anderson, D. L.

    1980-01-01

    A model for the formation and evolution of the earth's core, which provides an adequate energy source for maintaining the geodynamo, is proposed. A modified inhomogeneous accretion model is proposed which leads to initial iron and refractory enrichment at the center of the planet. The probable heat source for melting of the core is the decay of Al-26. The refractory material is emplaced irregularly in the lowermost mantle with uranium and thorium serving as a long-lived heat source. Fluid motions in the core are driven by the differential heating from above and the resulting cyclonic motions may be the source of the geodynamo.

  5. Core formation, evolution, and convection: A geophysical model

    Science.gov (United States)

    Ruff, L.; Anderson, D. L.

    1978-01-01

    A model is proposed for the formation and evolution of the Earth's core which provides an adequate energy source for maintaining the geodynamo. A modified inhomogeneous accretion model is proposed which leads to initial iron and refractory enrichment at the center of the planet. The probable heat source for melting of the core is the decay of Al. The refractory material is emplaced irregularly in the lowermost mantle with uranium and thorium serving as a long lived heat source. Fluid motions in the core are driven by the differential heating from above and the resulting cyclonic motions may be the source of the geodynamo.

  6. Modelling of the layer evolution during nitriding processes

    Energy Technology Data Exchange (ETDEWEB)

    Figueroa, U.; Oseguera, J.; Schabes, P. [CEM, Atizapan (Mexico)

    1995-12-31

    The evolution of concomitant layers of nitrides is presented. The layer formation is experimentally achieved through two processes: Nitriding with a weakly ionized plasma and nitrogen post-discharge nitriding. The nitriding processes were performed on samples of pure iron and carbon steel. Nitriding temperatures were close but different from the eutectoid transformation point temperature. The experimental layer growth pattern is compared with a model of mass transfer, in which interface mass balance is considered. In the model the authors have considered the formation of one and two compact nitride layers. For short time of treatment, it is shown that a parabolic profile does not satisfactorily describe the layer growth.

  7. Tracing chemical evolution over the extent of the Milky Way's disk with apogee red clump stars

    Energy Technology Data Exchange (ETDEWEB)

    Nidever, David L. [Department of Astronomy, University of Michigan, Ann Arbor, MI 48104 (United States); Bovy, Jo [Institute for Advanced Study, Einstein Drive, Princeton, NJ 08540 (United States); Bird, Jonathan C. [Physics and Astronomy Department, Vanderbilt University, 1807 Station B, Nashville, TN 37235 (United States); Andrews, Brett H.; Johnson, Jennifer A.; Weinberg, David H. [Department of Astronomy and the Center for Cosmology and Astro-Particle Physics, The Ohio State University, Columbus, OH 43210 (United States); Hayden, Michael; Holtzman, Jon; Feuillet, Diane [New Mexico State University, Las Cruces, NM 88003 (United States); Majewski, Steven R.; García Pérez, Ana E. [Department of Astronomy, University of Virginia, Charlottesville, VA, 22904 (United States); Smith, Verne [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Robin, Annie C.; Sobeck, Jennifer [Institut Utinam, CNRS UMR 6213, OSU THETA, Université de Franche-Comté, 41bis avenue de l' Observatoire, F-25000 Besançon (France); Cunha, Katia [Observatorio Nacional, Rio de Janeiro (Brazil); Allende Prieto, Carlos [Instituto de Astrofsica de Canarias, E-38205 La Laguna, Tenerife (Spain); Zasowski, Gail [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Schiavon, Ricardo P. [Astrophysics Research Institute, IC2, Liverpool Science Park, Liverpool John Moores University, 146 Brownlow Hill, Liverpool, L3 5RF (United Kingdom); Schneider, Donald P. [Department of Astronomy and Astrophysics, The Pennsylvania State University, University Park, PA 16802 (United States); Shetrone, Matthew, E-mail: dnidever@umich.edu [University of Texas at Austin, McDonald Observatory, 32 Fowlkes Road, McDonald Observatory, TX 79734-3005 (United States); and others

    2014-11-20

    We employ the first two years of data from the near-infrared, high-resolution SDSS-III/APOGEE spectroscopic survey to investigate the distribution of metallicity and α-element abundances of stars over a large part of the Milky Way disk. Using a sample of ≈10, 000 kinematically unbiased red-clump stars with ∼5% distance accuracy as tracers, the [α/Fe] versus [Fe/H] distribution of this sample exhibits a bimodality in [α/Fe] at intermediate metallicities, –0.9 < [Fe/H] <–0.2, but at higher metallicities ([Fe/H] ∼+0.2) the two sequences smoothly merge. We investigate the effects of the APOGEE selection function and volume filling fraction and find that these have little qualitative impact on the α-element abundance patterns. The described abundance pattern is found throughout the range 5 < R < 11 kpc and 0 < |Z| < 2 kpc across the Galaxy. The [α/Fe] trend of the high-α sequence is surprisingly constant throughout the Galaxy, with little variation from region to region (∼10%). Using simple galactic chemical evolution models, we derive an average star-formation efficiency (SFE) in the high-α sequence of ∼4.5 × 10{sup –10} yr{sup –1}, which is quite close to the nearly constant value found in molecular-gas-dominated regions of nearby spirals. This result suggests that the early evolution of the Milky Way disk was characterized by stars that shared a similar star-formation history and were formed in a well-mixed, turbulent, and molecular-dominated ISM with a gas consumption timescale (SFE{sup –1}) of ∼2 Gyr. Finally, while the two α-element sequences in the inner Galaxy can be explained by a single chemical evolutionary track, this cannot hold in the outer Galaxy, requiring, instead, a mix of two or more populations with distinct enrichment histories.

  8. Implementation and evaluation of an array of chemical solvers in a global chemical transport model

    Directory of Open Access Journals (Sweden)

    M. Lee

    2009-03-01

    Full Text Available This paper discusses the implementation and performance of an array of gas-phase chemistry solvers for the state-of-the-science GEOS-Chem global chemical transport model. The implementation is based on the Kinetic PreProcessor (KPP. Two perl parsers automatically generate the needed interfaces between GEOS-Chem and KPP, and allow access to the chemical simulation code without any additional programming effort. This work illustrates the potential of KPP to positively impact global chemical transport modeling by providing additional functionality as follows. (1 The user can select a highly efficient numerical integration method from an array of solvers available in the KPP library. (2 KPP offers extreme flexibility for studies that involve changing the chemical mechanism (e.g., a set of additional reactions is automatically translated into efficient code and incorporated into a modified global model. (3 This work provides immediate access to tangent linear, continuous adjoint, and discrete adjoint chemical models, with applications to sensitivity analysis and data assimilation.

  9. Evolution of Interacting Viscous Dark Energy Model in Einstein Cosmology

    Institute of Scientific and Technical Information of China (English)

    CHEN Ju-Hua; ZHOU Sheng; WANG Yong-Jiu

    2011-01-01

    We investigate the evolution of the viscous dark energy (DE) interacting with the dark matter (DM) in the Einstein cosmology model. By using the linearizing theory of the dynamical system, we find that, in our model,there exists a stable late time scaling solution which corresponds to the accelerating universe. We also find the unstable solution under some appropriate parameters. In order to alleviate the coincidence problem, some authors considered the effect of quantum correction due to the conform anomaly and the interacting dark energy with the dark matter. However, if we take into account the bulk viscosity of the cosmic fluid, the coincidence problem will be softened just like the interacting dark energy cosmology model. That is to say, both the non-perfect fluid model and the interacting the dark energy cosmic model can alleviate or soften the singularity of the universe.%@@ We investigate the evolution of the viscous dark energy (DE) interacting with the dark matter (DM) in the Einstein cosmology model.By using the linearizing theory of the dynamical system, we find that, in our model, there exists a stable late time scaling solution which corresponds to the accelerating universe.We also find the unstable solution under some appropriate parameters.In order to alleviate the coincidence problem, some authors considered the effect of quantum correction due to the conform anomaly and the interacting dark energy with the dark matter.However, if we take into account the bulk viscosity of the cosmic fluid, the coincidence problem will be softened just like the interacting dark energy cosmology model.That is to say, both the non-perfect fluid model and the interacting the dark energy cosmic model can alleviate or soften the singularity of the universe.

  10. A Spectroscopic Study of Blue Supergiant Stars in the Sculptor Galaxy NGC 55: Chemical Evolution and Distance

    Science.gov (United States)

    Kudritzki, R. P.; Castro, N.; Urbaneja, M. A.; Ho, I.-T.; Bresolin, F.; Gieren, W.; Pietrzyński, G.; Przybilla, N.

    2016-10-01

    Low-resolution (4.5-5 Å) spectra of 58 blue supergiant stars distributed over the disk of the Magellanic spiral galaxy NGC 55 in the Sculptor group are analyzed by means of non-LTE techniques to determine stellar temperatures, gravities, and metallicities (from iron peak and α-elements). A metallicity gradient of -0.22 ± 0.06 dex/R 25 is detected. The central metallicity on a logarithmic scale relative to the Sun is [Z] = -0.37 ± 0.03. A chemical evolution model using the observed distribution of column densities of the stellar and interstellar medium gas mass reproduces the observed metallicity distribution well and reveals a recent history of strong galactic mass accretion and wind outflows with accretion and mass-loss rates of the order of the star formation rate. There is an indication of spatial inhomogeneity in metallicity. In addition, the relatively high central metallicity of the disk confirms that two extraplanar metal-poor H ii regions detected in previous work 1.13 to 2.22 kpc above the galactic plane are ionized by massive stars formed in situ outside the disk. For a subsample of supergiants, for which Hubble Space Telescope photometry is available, the flux-weighted gravity-luminosity relationship is used to determine a distance modulus of 26.85 ± 0.10 mag.

  11. A spectroscopic study of blue supergiant stars in the Sculptor galaxy NGC 55: chemical evolution and distance

    CERN Document Server

    Kudritzki, Rolf; Castro, Norberto; Ho, I-Ting; Bresolin, Fabio; Gieren, Wolfgang; Pietrzynski, Grzegorz; Przybilla, Norbert

    2016-01-01

    Low resolution (4.5 to 5 Angstroem) spectra of 58 blue supergiant stars distributed over the disk of the Magellanic spiral galaxy NGC 55 in the Sculptor group are analyzed by means of non-LTE techniques to determine stellar temperatures, gravities and metallicities (from iron peak and alpha-elements). A metallicity gradient of -0.22 +/- 0.06$ dex/R_25 is detected. The central metallicity on a logarithmic scale relative to the Sun is [Z] = -0.37 +\\- 0.03. A chemical evolution model using the observed distribution of stellar and interstellar medium gas mass column densities reproduces the observed metallicity distribution well and reveals a recent history of strong galactic mass accretion and wind outflows with accretion and mass-loss rates of the order of the star formation rate. There is an indication of spatial inhomogeneity in metallicity. In addition, the relatively high central metallicity of the disk confirms that two extra-planar metal poor HII regions detected in previous work 1.13 to 2.22 kpc above th...

  12. Groundwater recharge and chemical evolution in the southern High Plains of Texas, USA

    Science.gov (United States)

    Fryar, Alan; Mullican, William; Macko, Stephen

    2001-11-01

    The unconfined High Plains (Ogallala) aquifer is the largest aquifer in the USA and the primary water supply for the semiarid southern High Plains of Texas and New Mexico. Analyses of water and soils northeast of Amarillo, Texas, together with data from other regional studies, indicate that processes during recharge control the composition of unconfined groundwater in the northern half of the southern High Plains. Solute and isotopic data are consistent with a sequence of episodic precipitation, concentration of solutes in upland soils by evapotranspiration, runoff, and infiltration beneath playas and ditches (modified locally by return flow of wastewater and irrigation tailwater). Plausible reactions during recharge include oxidation of organic matter, dissolution and exsolution of CO2, dissolution of CaCO3, silicate weathering, and cation exchange. Si and 14C data suggest leakage from perched aquifers to the High Plains aquifer. Plausible mass-balance models for the High Plains aquifer include scenarios of flow with leakage but not reactions, flow with reactions but not leakage, and flow with neither reactions nor leakage. Mechanisms of recharge and chemical evolution delineated in this study agree with those noted for other aquifers in the south-central and southwestern USA. Résumé. L'aquifère libre des Hautes Plaines (Ogallala) est le plus vaste aquifère des états-Unis et la ressource de base pour l'eau potable de la région semi-aride du sud des Hautes Plaines du Texas et du Nouveau-Mexique. Des analyses de l'eau et des sols prélevés au nord-est d'Amarillo (Texas), associées à des données provenant d'autres études dans cette région, indiquent que des processus intervenant au cours de l'infiltration contrôlent la composition de l'eau de la nappe libre dans la moitié septentrionale du sud des Hautes Plaines. Les données chimiques et isotopiques sont compatibles avec une séquence de précipitation épisodique, avec la reconcentration en solut

  13. Assessing the state of substitution models describing noncoding RNA evolution.

    Science.gov (United States)

    Allen, James E; Whelan, Simon

    2014-01-01

    Phylogenetic inference is widely used to investigate the relationships between homologous sequences. RNA molecules have played a key role in these studies because they are present throughout life and tend to evolve slowly. Phylogenetic inference has been shown to be dependent on the substitution model used. A wide range of models have been developed to describe RNA evolution, either with 16 states describing all possible canonical base pairs or with 7 states where the 10 mismatched nucleotides are reduced to a single state. Formal model selection has become a standard practice for choosing an inferential model and works well for comparing models of a specific type, such as comparisons within nucleotide models or within amino acid models. Model selection cannot function across different sized state spaces because the likelihoods are conditioned on different data. Here, we introduce statistical state-space projection methods that allow the direct comparison of likelihoods between nucleotide models and 7-state and 16-state RNA models. To demonstrate the general applicability of our new methods, we extract 287 RNA families from genomic alignments and perform model selection. We find that in 281/287 families, RNA models are selected in preference to nucleotide models, with simple 7-state RNA models selected for more conserved families with shorter stems and more complex 16-state RNA models selected for more divergent families with longer stems. Other factors, such as the function of the RNA molecule or the GC-content, have limited impact on model selection. Our models and model selection methods are freely available in the open-source PHASE 3.0 software.

  14. Extension of association models to complex chemicals

    DEFF Research Database (Denmark)

    Avlund, Ane Søgaard

    Summary of “Extension of association models to complex chemicals”. Ph.D. thesis by Ane Søgaard Avlund The subject of this thesis is application of SAFT type equations of state (EoS). Accurate and predictive thermodynamic models are important in many industries including the petroleum industry....... The SAFT EoS was developed 20 years ago, and a large number of papers on the subject has been published since, but many issues still remain unsolved. These issues are both theoretical and practical. The SAFT theory does not account for intramolecular association, it can only treat flexible chains, and does...... not account for steric self-hindrance for tree-like structures. An important practical problem is how to obtain optimal and consistent parameters. Moreover, multifunctional associating molecules represent a special challenge. In this work two equations of state using the SAFT theory for association are used...

  15. Last interglacial temperature evolution – a model inter-comparison

    Directory of Open Access Journals (Sweden)

    P. Bakker

    2013-03-01

    Full Text Available There is a growing number of proxy-based reconstructions detailing the climatic changes that occurred during the last interglacial period (LIG. This period is of special interest, because large parts of the globe were characterized by a warmer-than-present-day climate, making this period an interesting test bed for climate models in light of projected global warming. However, mainly because synchronizing the different palaeoclimatic records is difficult, there is no consensus on a global picture of LIG temperature changes. Here we present the first model inter-comparison of transient simulations covering the LIG period. By comparing the different simulations, we aim at investigating the common signal in the LIG temperature evolution, investigating the main driving forces behind it and at listing the climate feedbacks which cause the most apparent inter-model differences. The model inter-comparison shows a robust Northern Hemisphere July temperature evolution characterized by a maximum between 130–125 ka BP with temperatures 0.3 to 5.3 K above present day. A Southern Hemisphere July temperature maximum, −1.3 to 2.5 K at around 128 ka BP, is only found when changes in the greenhouse gas concentrations are included. The robustness of simulated January temperatures is large in the Southern Hemisphere and the mid-latitudes of the Northern Hemisphere. For these regions maximum January temperature anomalies of respectively −1 to 1.2 K and −0.8 to 2.1 K are simulated for the period after 121 ka BP. In both hemispheres these temperature maxima are in line with the maximum in local summer insolation. In a number of specific regions, a common temperature evolution is not found amongst the models. We show that this is related to feedbacks within the climate system which largely determine the simulated LIG temperature evolution in these regions. Firstly, in the Arctic region, changes in the summer sea-ice cover control the evolution of LIG winter

  16. Evolution of near-field physico-chemical characteristics of the SFR repository

    Energy Technology Data Exchange (ETDEWEB)

    Savage, D. [Quintessa Ltd., Nottingham (United Kingdom); Stenhouse, M. [Monitor Scientific LLC, Denver, CO (United States); Benbow, S. [Quintessa Ltd., Henley-on-Thames (United Kingdom)

    2000-08-01

    The evaluation of the post-closure performance of the SFR repository needs to consider time dependent evolution of the repository environment. Time-dependent reaction of near-field barriers (cement, steel, bentonite) with saturating groundwater will lead to the development of hyper alkaline repository pore fluids, chemically reducing conditions, and ultimately, the generation of gas through anaerobic corrosion of metals. Cement and concrete will act as chemical conditioning agents to minimise metal corrosion and ultimately, maximise radioelement sorption. The chemical and physical evolution of cement and concrete through reaction with ambient groundwater will thus affect sorption processes through changes in pH, complexing ligands, and solid surface properties. It is desirable that these changes be incorporated into the safety assessment. The sorption behaviour of radionuclides in cementitious systems has been reviewed in detail. The available evidence from experimental work carried out on the influence of organic materials on the sorption behaviour of radionuclides, indicates that most organic degradation products will not affect sorption significantly at the concentrations expected in a cementitious repository. The notable exception to this conclusion involves the degradation products of cellulose and, in particular, polycarboxylic acids represented by iso-saccharinic acid (ISA). Results using ISA indicate a significant reduction in sorption of Pu, by several orders of magnitude, for an ISA concentration of about 10{sup -3} M. More recent data indicate that the negative effect is not as great, though still significant. Therefore, some scoping calculations are advisable to determine how realistic an ISA concentration of about 10{sup -3} M would be for the SFR repository and to estimate concentrations of other relevant organic compounds, in particular EDTA, for comparison. Scoping calculations relevant to the longevity of hyper alkaline pore fluid conditions at SFR

  17. On an evolution equation in a cell motility model

    Science.gov (United States)

    Mizuhara, Matthew S.; Berlyand, Leonid; Rybalko, Volodymyr; Zhang, Lei

    2016-04-01

    This paper deals with the evolution equation of a curve obtained as the sharp interface limit of a non-linear system of two reaction-diffusion PDEs. This system was introduced as a phase-field model of (crawling) motion of eukaryotic cells on a substrate. The key issue is the evolution of the cell membrane (interface curve) which involves shape change and net motion. This issue can be addressed both qualitatively and quantitatively by studying the evolution equation of the sharp interface limit for this system. However, this equation is non-linear and non-local and existence of solutions presents a significant analytical challenge. We establish existence of solutions for a wide class of initial data in the so-called subcritical regime. Existence is proved in a two step procedure. First, for smooth (H2) initial data we use a regularization technique. Second, we consider non-smooth initial data that are more relevant from the application point of view. Here, uniform estimates on the time when solutions exist rely on a maximum principle type argument. We also explore the long time behavior of the model using both analytical and numerical tools. We prove the nonexistence of traveling wave solutions with nonzero velocity. Numerical experiments show that presence of non-linearity and asymmetry of the initial curve results in a net motion which distinguishes it from classical volume preserving curvature motion. This is done by developing an algorithm for efficient numerical resolution of the non-local term in the evolution equation.

  18. REPRESENTING AEROSOL DYNAMICS AND PROPERTIES IN CHEMICAL TRANSPORT MODELS BY THE METHOD OF MOMENTS.

    Energy Technology Data Exchange (ETDEWEB)

    SCHWARTZ, S.E.; MCGRAW, R.; BENKOVITZ, C.M.; WRIGHT, D.L.

    2001-04-01

    Atmospheric aerosols, suspensions of solid or liquid particles, are an important multi-phase system. Aerosols scatter and absorb shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility; nucleate cloud droplet formation, modifying the reflectivity of clouds (Twomey et al., 1984; Schwartz and Slingo, 1996) as well as contributing to composition of cloudwater and to wet deposition (Seinfeld and Pandis, 1998); and affect human health through inhalation (NRC, 1998). Existing and prospective air quality regulations impose standards on concentrations of atmospheric aerosols to protect human health and welfare (EPA, 1998). Chemical transport and transformation models representing the loading and geographical distribution of aerosols and precursor gases are needed to permit development of effective and efficient strategies for meeting air quality standards, and for examining aerosol effects on climate retrospectively and prospectively for different emissions scenarios. Important aerosol properties and processes depend on their size distribution: light scattering, cloud nucleating properties, dry deposition, and penetration into airways of lungs. The evolution of the mass loading itself depends on particle size because of the size dependence of growth and removal processes. For these reasons it is increasingly recognized that chemical transport and transformation models must represent not just the mass loading of atmospheric particulate matter but also the aerosol microphysical properties and the evolution of these properties if aerosols are to be accurately represented in these models. If the size distribution of the aerosol is known, a given property can be evaluated as the integral of the appropriate kernel function over the size distribution. This has motivated the approach of determining aerosol size distribution, and of explicitly representing this distribution and its evolution in chemical transport models.

  19. Bayesian molecular design with a chemical language model.

    Science.gov (United States)

    Ikebata, Hisaki; Hongo, Kenta; Isomura, Tetsu; Maezono, Ryo; Yoshida, Ryo

    2017-03-09

    The aim of computational molecular design is the identification of promising hypothetical molecules with a predefined set of desired properties. We address the issue of accelerating the material discovery with state-of-the-art machine learning techniques. The method involves two different types of prediction; the forward and backward predictions. The objective of the forward prediction is to create a set of machine learning models on various properties of a given molecule. Inverting the trained forward models through Bayes' law, we derive a posterior distribution for the backward prediction, which is conditioned by a desired property requirement. Exploring high-probability regions of the posterior with a sequential Monte Carlo technique, molecules that exhibit the desired properties can computationally be created. One major difficulty in the computational creation of molecules is the exclusion of the occurrence of chemically unfavorable structures. To circumvent this issue, we derive a chemical language model that acquires commonly occurring patterns of chemical fragments through natural language processing of ASCII strings of existing compounds, which follow the SMILES chemical language notation. In the backward prediction, the trained language model is used to refine chemical strings such that the properties of the resulting structures fall within the desired property region while chemically unfavorable structures are successfully removed. The present method is demonstrated through the design of small organic molecules with the property requirements on HOMO-LUMO gap and internal energy. The R package iqspr is available at the CRAN repository.

  20. Effects of spatial diffusion on nonequilibrium steady states in a model for prebiotic evolution

    Science.gov (United States)

    Intoy, B. F.; Wynveen, A.; Halley, J. W.

    2016-10-01

    Effects of spatial diffusion in a Kauffman-like model for prebiotic evolution previously studied in a "well-mixed" limit are reported. The previous model was parametrized by a parameter p defined as the probability that a possible reaction in a network of reactions characterizing the artificial chemistry actually appears in the chemical network. In the model reported here, we numerically study a grid of such well-mixed reactors on a two-dimensional spatial lattice in which the model chemical constituents can hop between neighboring reactors at a rate controlled by a second parameter η . We report the frequency of appearance of three distinct types of nonequilibrium steady states, characterized as "diffusively alive locally dead" (DALD), "diffusively dead locally alive" (DDLA) and "diffusively alive locally alive" (DALA). The types are defined according to whether they are chemically equilibrated at each site, diffusively equilibrated between sites, or neither, respectively. With our parametrization of the definitions of these nonequilibrium states, many of the DALA states are growing rapidly in population due to the explosive population growth of a few sites, while their entropy remains well below its equilibrium value. Sharp temporal transitions occur as exploding sites appear. DALD states occur less commonly than the other types and also usually harbor a few explosively growing sites but transitions are less sharp than in DALA systems.