Sample records for properties formation models

  1. Formation enthalpies for transition metal alloys using machine learning

    NASA Astrophysics Data System (ADS)

    Ubaru, Shashanka; Miedlar, Agnieszka; Saad, Yousef; Chelikowsky, James R.

    2017-06-01

    The enthalpy of formation is an important thermodynamic property. Developing fast and accurate methods for its prediction is of practical interest in a variety of applications. Material informatics techniques based on machine learning have recently been introduced in the literature as an inexpensive means of exploiting materials data, and can be used to examine a variety of thermodynamics properties. We investigate the use of such machine learning tools for predicting the formation enthalpies of binary intermetallic compounds that contain at least one transition metal. We consider certain easily available properties of the constituting elements complemented by some basic properties of the compounds, to predict the formation enthalpies. We show how choosing these properties (input features) based on a literature study (using prior physics knowledge) seems to outperform machine learning based feature selection methods such as sensitivity analysis and LASSO (least absolute shrinkage and selection operator) based methods. A nonlinear kernel based support vector regression method is employed to perform the predictions. The predictive ability of our model is illustrated via several experiments on a dataset containing 648 binary alloys. We train and validate the model using the formation enthalpies calculated using a model by Miedema, which is a popular semiempirical model used for the prediction of formation enthalpies of metal alloys.

  2. Shale Gas Well, Hydraulic Fracturing, and Formation Data to Support Modeling of Gas and Water Flow in Shale Formations

    NASA Astrophysics Data System (ADS)

    Edwards, Ryan W. J.; Celia, Michael A.

    2018-04-01

    The potential for shale gas development and hydraulic fracturing to cause subsurface water contamination has prompted a number of modeling studies to assess the risk. A significant impediment for conducting robust modeling is the lack of comprehensive publicly available information and data about the properties of shale formations, shale wells, the process of hydraulic fracturing, and properties of the hydraulic fractures. We have collated a substantial amount of these data that are relevant for modeling multiphase flow of water and gas in shale gas formations. We summarize these data and their sources in tabulated form.

  3. A 3-D wellbore simulator (WELLTHER-SIM) to determine the thermal diffusivity of rock-formations

    NASA Astrophysics Data System (ADS)

    Wong-Loya, J. A.; Santoyo, E.; Andaverde, J.

    2017-06-01

    Acquiring thermophysical properties of rock-formations in geothermal systems is an essential task required for the well drilling and completion. Wellbore thermal simulators require such properties for predicting the thermal behavior of a wellbore and the formation under drilling and shut-in conditions. The estimation of static formation temperatures also needs the use of these properties for the wellbore and formation materials (drilling fluids and pipes, cements, casings, and rocks). A numerical simulator (WELLTHER-SIM) has been developed for modeling the drilling fluid circulation and shut-in processes of geothermal wellbores, and for the in-situ determination of thermal diffusivities of rocks. Bottomhole temperatures logged under shut-in conditions (BHTm), and thermophysical and transport properties of drilling fluids were used as main input data. To model the thermal disturbance and recovery processes in the wellbore and rock-formation, initial drilling fluid and static formation temperatures were used as initial and boundary conditions. WELLTHER-SIM uses these temperatures together with an initial thermal diffusivity for the rock-formation to solve the governing equations of the heat transfer model. WELLTHER-SIM was programmed using the finite volume technique to solve the heat conduction equations under 3-D and transient conditions. Thermal diffusivities of rock-formations were inversely computed by using an iterative and efficient numerical simulation, where simulated thermal recovery data sets (BHTs) were statistically compared with those temperature measurements (BHTm) logged in some geothermal wellbores. The simulator was validated using a well-documented case reported in the literature, where the thermophysical properties of the rock-formation are known with accuracy. The new numerical simulator has been successfully applied to two wellbores drilled in geothermal fields of Japan and Mexico. Details of the physical conceptual model, the numerical algorithm, and the validation and application results are outlined in this work.

  4. The galaxy-dark matter halo connection: which galaxy properties are correlated with the host halo mass?

    NASA Astrophysics Data System (ADS)

    Contreras, S.; Baugh, C. M.; Norberg, P.; Padilla, N.

    2015-09-01

    We demonstrate how the properties of a galaxy depend on the mass of its host dark matter subhalo, using two independent models of galaxy formation. For the cases of stellar mass and black hole mass, the median property value displays a monotonic dependence on subhalo mass. The slope of the relation changes for subhalo masses for which heating by active galactic nuclei becomes important. The median property values are predicted to be remarkably similar for central and satellite galaxies. The two models predict considerable scatter around the median property value, though the size of the scatter is model dependent. There is only modest evolution with redshift in the median galaxy property at a fixed subhalo mass. Properties such as cold gas mass and star formation rate, however, are predicted to have a complex dependence on subhalo mass. In these cases, subhalo mass is not a good indicator of the value of the galaxy property. We illustrate how the predictions in the galaxy property-subhalo mass plane differ from the assumptions made in some empirical models of galaxy clustering by reconstructing the model output using a basic subhalo abundance matching scheme. In its simplest form, abundance matching generally does not reproduce the clustering predicted by the models, typically resulting in an overprediction of the clustering signal. Using the predictions of the galaxy formation model for the correlations between pairs of galaxy properties, the basic abundance matching scheme can be extended to reproduce the model predictions more faithfully for a wider range of galaxy properties. Our results have implications for the analysis of galaxy clustering, particularly for low abundance samples.

  5. Prediction of porosity of food materials during drying: Current challenges and directions.

    PubMed

    Joardder, Mohammad U H; Kumar, C; Karim, M A

    2017-07-18

    Pore formation in food samples is a common physical phenomenon observed during dehydration processes. The pore evolution during drying significantly affects the physical properties and quality of dried foods. Therefore, it should be taken into consideration when predicting transport processes in the drying sample. Characteristics of pore formation depend on the drying process parameters, product properties and processing time. Understanding the physics of pore formation and evolution during drying will assist in accurately predicting the drying kinetics and quality of food materials. Researchers have been trying to develop mathematical models to describe the pore formation and evolution during drying. In this study, existing porosity models are critically analysed and limitations are identified. Better insight into the factors affecting porosity is provided, and suggestions are proposed to overcome the limitations. These include considerations of process parameters such as glass transition temperature, sample temperature, and variable material properties in the porosity models. Several researchers have proposed models for porosity prediction of food materials during drying. However, these models are either very simplistic or empirical in nature and failed to consider relevant significant factors that influence porosity. In-depth understanding of characteristics of the pore is required for developing a generic model of porosity. A micro-level analysis of pore formation is presented for better understanding, which will help in developing an accurate and generic porosity model.

  6. FY 2010 Fourth Quarter Report: Evaluation of the Dependency of Drizzle Formation on Aerosol Properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lin, W; McGraw, R; Liu, Y

    Metric for Quarter 4: Report results of implementation of composite parameterization in single-column model (SCM) to explore the dependency of drizzle formation on aerosol properties. To better represent VOCALS conditions during a test flight, the Liu-Duam-McGraw (LDM) drizzle parameterization is implemented in the high-resolution Weather Research and Forecasting (WRF) model, as well as in the single-column Community Atmosphere Model (CAM), to explore this dependency.

  7. Ectopic Osteoid and Bone Formation by Three Calcium-Phosphate Ceramics in Rats, Rabbits and Dogs

    PubMed Central

    Wang, Liao; Zhang, Bi; Bao, Chongyun; Habibovic, Pamela; Hu, Jing; Zhang, Xingdong

    2014-01-01

    Calcium phosphate ceramics with specific physicochemical properties have been shown to induce de novo bone formation upon ectopic implantation in a number of animal models. In this study we explored the influence of physicochemical properties as well as the animal species on material-induced ectopic bone formation. Three bioceramics were used for the study: phase-pure hydroxyapatite (HA) sintered at 1200°C and two biphasic calcium phosphate (BCP) ceramics, consisting of 60 wt.% HA and 40 wt.% TCP (β-Tricalcium phosphate), sintered at either 1100°C or 1200°C. 108 samples of each ceramic were intramuscularly implanted in dogs, rabbits, and rats for 6, 12, and 24 weeks respectively. Histological and histomorphometrical analyses illustrated that ectopic bone and/or osteoid tissue formation was most pronounced in BCP sintered at 1100°C and most limited in HA, independent of the animal model. Concerning the effect of animal species, ectopic bone formation reproducibly occurred in dogs, while in rabbits and rats, new tissue formation was mainly limited to osteoid. The results of this study confirmed that the incidence and the extent of material-induced bone formation are related to both the physicochemical properties of calcium phosphate ceramics and the animal model. PMID:25229501

  8. Southern Ocean bottom water characteristics in CMIP5 models

    NASA Astrophysics Data System (ADS)

    Heuzé, CéLine; Heywood, Karen J.; Stevens, David P.; Ridley, Jeff K.

    2013-04-01

    Southern Ocean deep water properties and formation processes in climate models are indicative of their capability to simulate future climate, heat and carbon uptake, and sea level rise. Southern Ocean temperature and density averaged over 1986-2005 from 15 CMIP5 (Coupled Model Intercomparison Project Phase 5) climate models are compared with an observed climatology, focusing on bottom water. Bottom properties are reasonably accurate for half the models. Ten models create dense water on the Antarctic shelf, but it mixes with lighter water and is not exported as bottom water as in reality. Instead, most models create deep water by open ocean deep convection, a process occurring rarely in reality. Models with extensive deep convection are those with strong seasonality in sea ice. Optimum bottom properties occur in models with deep convection in the Weddell and Ross Gyres. Bottom Water formation processes are poorly represented in ocean models and are a key challenge for improving climate predictions.

  9. Porous media of the Red River Formation, Williston Basin, North Dakota: a possible Sedimentary Enhanced Geothermal System

    NASA Astrophysics Data System (ADS)

    Hartig, Caitlin M.

    2018-01-01

    Fracture-stimulated enhanced geothermal systems (EGS) can be developed in both crystalline rocks and sedimentary basins. The Red River Formation (Ordovician) is a viable site for development of a sedimentary EGS (SEGS) because the formation temperatures exceed 140 °C and the permeability is 0.1-38 mD; fracture stimulation can be utilized to improve permeability. The spatial variations of the properties of the Red River Formation were analyzed across the study area in order to understand the distribution of subsurface formation temperatures. Maps of the properties of the Red River Formation-including depth to the top of the formation, depth to the bottom of the formation, porosity, geothermal gradient, heat flow, and temperature-were produced by the Kriging interpolation method in ArcGIS. In the future, these results may be utilized to create a reservoir simulation model of an SEGS in the Red River Formation; the purpose of this model would be to ascertain the thermal response of the reservoir to fracture stimulation.

  10. Estimating formation properties from early-time oscillatory water levels in a pumped well

    USGS Publications Warehouse

    Shapiro, A.M.; Oki, D.S.

    2000-01-01

    Hydrologists often attempt to estimate formation properties from aquifer tests for which only the hydraulic responses in a pumped well are available. Borehole storage, turbulent head losses, and borehole skin, however, can mask the hydraulic behavior of the formation inferred from the water level in the pumped well. Also, in highly permeable formations or in formations at significant depth below land surface, where there is a long column of water in the well casing, oscillatory water levels may arise during the onset of pumping to further mask formation responses in the pumped well. Usually borehole phenomena are confined to the early stages of pumping or recovery, and late-time hydraulic data can be used to estimate formation properties. In many instances, however, early-time hydraulic data provide valuable information about the formation, especially if there are interferences in the late-time data. A mathematical model and its Laplace transform solution that account for inertial influences and turbulent head losses during pumping is developed for the coupled response between the pumped borehole and the formation. The formation is assumed to be homogeneous, isotropic, of infinite areal extent, and uniform thickness, with leakage from an overlying aquifer, and the screened or open interval of the pumped well is assumed to fully penetrate the pumped aquifer. Other mathematical models of aquifer flow can also be coupled with the equations describing turbulent head losses and the inertial effects on the water column in the pumped well. The mathematical model developed in this paper is sufficiently general to consider both underdamped conditions for which oscillations arise, and overdamped conditions for which there are no oscillations. Through numerical inversion of the Laplace transform solution, type curves from the mathematical model are developed to estimate formation properties through comparison with the measured hydraulic response in the pumped well. The mathematical model is applied to estimate formation properties from a singlewell test conducted near Waialua, Oahu, Hawaii. At this site, both the drawdown and recovery showed oscillatory water levels in the pumped well, and a step-drawdown test showed that approximately 86% of the drawdown is attributed to turbulent head losses. Analyses at this site using late-time drawdown data were confounded by the noise present in the measured water levels due primarily to nearby irrigation wells and ocean tides. By analyzing the early-time oscillatory recovery data at the Waialua site, upper and lower bounds were placed on the transmissivity, T, storage coefficient, S, and the leakance of the confining unit, K′/B′. The upper and lower bounds on T differ by a factor of 2. Upper and lower bounds on S and K′/B′ are much larger, because drawdown stabilized relatively quickly after the onset of pumping.

  11. Grain formation around carbon stars. 1: Stationary outflow models

    NASA Technical Reports Server (NTRS)

    Egan, Michael P.; Leung, Chun Ming

    1995-01-01

    Asymptotic giant branch (AGB) stars are known to be sites of dust formation and undergo significant mass loss. The outflow is believed to be driven by radiation pressure on grains and momentum coupling between the grains and gas. While the physics of shell dynamics and grain formation are closely coupled, most previous models of circumstellar shells have treated the problem separately. Studies of shell dynamics typically assume the existence of grains needed to drive the outflow, while most grain formation models assume a constant veolcity wind in which grains form. Furthermore, models of grain formation have relied primarily on classical nucleation theory instead of using a more realistic approach based on chemical kinetics. To model grain formation in carbon-rich AGB stars, we have coupled the kinetic equations governing small cluster growth to moment equations which determine the growth of large particles. Phenomenological models assuming stationary outflow are presented to demonstrate the differences between the classical nucleation approach and the kinetic equation method. It is found that classical nucleation theory predicts nucleation at a lower supersaturation ratio than is predicted by the kinetic equations, resulting in significant differences in grain properties. Coagulation of clusters larger than monomers is unimportant for grain formation in high mass-loss models but becomes more important to grain growth in low mass-loss situations. The properties of the dust grains are altered considerably if differential drift velocities are ignored in modeling grain formation. The effect of stellar temperature, stellar luminosity, and different outflow velocities are investigated. The models indicate that changing the stellar temperature while keeping the stellar luminosity constant has little effect on the physical parameters of the dust shell formed. Increasing the stellar luminosity while keeping the stellar temperature constant results in large differences in grain properties. For small outflow velocities, grains form at lower supersaturation ratios and close to the stellar photosphere, resulting in larger but fewer grains. The reverse is true when grains form under high outflow velocities, i.e., they form at higher supersaturation ratios, farther from the star, and are much smaller but at larger quantities.

  12. Galactic chemical evolution in hierarchical formation models

    NASA Astrophysics Data System (ADS)

    Arrigoni, Matias

    2010-10-01

    The chemical properties and abundance ratios of galaxies provide important information about their formation histories. Galactic chemical evolution has been modelled in detail within the monolithic collapse scenario. These models have successfully described the abundance distributions in our Galaxy and other spiral discs, as well as the trends of metallicity and abundance ratios observed in early-type galaxies. In the last three decades, however, the paradigm of hierarchical assembly in a Cold Dark Matter (CDM) cosmology has revised the picture of how structure in the Universe forms and evolves. In this scenario, galaxies form when gas radiatively cools and condenses inside dark matter haloes, which themselves follow dissipationless gravitational collapse. The CDM picture has been successful at predicting many observed properties of galaxies (for example, the luminosity and stellar mass function of galaxies, color-magnitude or star formation rate vs. stellar mass distributions, relative numbers of early and late-type galaxies, gas fractions and size distributions of spiral galaxies, and the global star formation history), though many potential problems and open questions remain. It is therefore interesting to see whether chemical evolution models, when implemented within this modern cosmological context, are able to correctly predict the observed chemical properties of galaxies. With the advent of more powerfull telescopes and detectors, precise observations of chemical abundances and abundance ratios in various phases (stellar, ISM, ICM) offer the opportunity to obtain strong constraints on galaxy formation histories and the physics that shapes them. However, in order to take advantage of these observations, it is necessary to implement detailed modeling of chemical evolution into a modern cosmological model of hierarchical assembly.

  13. Modeling micelle formation and interfacial properties with iSAFT classical density functional theory

    NASA Astrophysics Data System (ADS)

    Wang, Le; Haghmoradi, Amin; Liu, Jinlu; Xi, Shun; Hirasaki, George J.; Miller, Clarence A.; Chapman, Walter G.

    2017-03-01

    Surfactants reduce the interfacial tension between phases, making them an important additive in a number of industrial and commercial applications from enhanced oil recovery to personal care products (e.g., shampoo and detergents). To help obtain a better understanding of the dependence of surfactant properties on molecular structure, a classical density functional theory, also known as interfacial statistical associating fluid theory, has been applied to study the effects of surfactant architecture on micelle formation and interfacial properties for model nonionic surfactant/water/oil systems. In this approach, hydrogen bonding is explicitly included. To minimize the free energy, the system minimizes interactions between hydrophobic components and hydrophilic components with water molecules hydrating the surfactant head group. The theory predicts micellar structure, effects of surfactant architecture on critical micelle concentration, aggregation number, and interfacial tension isotherm of surfactant/water systems in qualitative agreement with experimental data. Furthermore, this model is applied to study swollen micelles and reverse swollen micelles that are necessary to understand the formation of a middle-phase microemulsion.

  14. Airborne Astronomy Program

    NASA Technical Reports Server (NTRS)

    Butner, Harold M.

    1999-01-01

    Our understanding about the inter-relationship between the collapsing cloud envelope and the disk has been greatly altered. While the dominant star formation models invoke free fall collapse and r(sup -1.5) density profile, other star formation models are possible. These models invoke either different cloud starting conditions or the mediating effects of magnetic fields to alter the cloud geometry during collapse. To test these models, it is necessary to understand the envelope's physical structure. The discovery of disks, based on millimeter observations around young stellar objects, however makes a simple interpretation of the emission complicated. Depending on the wavelength, the disk or the envelope could dominate emission from a star. In addition, the discovery of planets around other stars has made understanding the disks in their own right quite important. Many star formation models predict disks should form naturally as the star is forming. In many cases, the information we derive about disk properties depends implicitly on the assumed envelope properties. How to understand the two components and their interaction with each other is a key problem of current star formation.

  15. Controls on the spatial variability of key soil properties: comparing field data with a mechanistic soilscape evolution model

    NASA Astrophysics Data System (ADS)

    Vanwalleghem, T.; Román, A.; Giraldez, J. V.

    2016-12-01

    There is a need for better understanding the processes influencing soil formation and the resulting distribution of soil properties. Soil properties can exhibit strong spatial variation, even at the small catchment scale. Especially soil carbon pools in semi-arid, mountainous areas are highly uncertain because bulk density and stoniness are very heterogeneous and rarely measured explicitly. In this study, we explore the spatial variability in key soil properties (soil carbon stocks, stoniness, bulk density and soil depth) as a function of processes shaping the critical zone (weathering, erosion, soil water fluxes and vegetation patterns). We also compare the potential of a geostatistical versus a mechanistic soil formation model (MILESD) for predicting these key soil properties. Soil core samples were collected from 67 locations at 6 depths. Total soil organic carbon stocks were 4.38 kg m-2. Solar radiation proved to be the key variable controlling soil carbon distribution. Stone content was mostly controlled by slope, indicating the importance of erosion. Spatial distribution of bulk density was found to be highly random. Finally, total carbon stocks were predicted using a random forest model whose main covariates were solar radiation and NDVI. The model predicts carbon stocks that are double as high on north versus south-facing slopes. However, validation showed that these covariates only explained 25% of the variation in the dataset. Apparently, present-day landscape and vegetation properties are not sufficient to fully explain variability in the soil carbon stocks in this complex terrain under natural vegetation. This is attributed to a high spatial variability in bulk density and stoniness, key variables controlling carbon stocks. Similar results were obtained with the mechanistic soil formation model MILESD, suggesting that more complex models might be needed to further explore this high spatial variability.

  16. Prediction of Reservoir Properties for Geomechanical Analysis Using 3-D Seismic Data and Rock Physics Modeling in the Vaca Muerta Formation, Neuquen Basin, Argentina

    NASA Astrophysics Data System (ADS)

    Convers-Gomez, Carlos E.

    The Vaca Muerta Formation in the Neuquen Basin has recently received a lot of attention from oil companies interested in developing its shale resources. Early identification of potential zones with possible good production is extremely important to optimize the return on capital investment. Developing a work flow in shale plays that associates an effective hydraulic fracture response with the presence of hydrocarbons is crucial for economic success. The vertical and lateral heterogeneity of rock properties are critical factors that impact production. The integration of 3D seismic and well data is necessary for prediction of rock properties and identifies their distribution in the rock, which can also be integrated with geomechanical properties to model the rock response favorable to hydraulic stimulation. This study includes a 3D seismic survey and six vertical wells with full log suites in each well. The well logs allowed for the computation of a pre-stack model-based inversion which uses seismic data to estimate rock property volumes. An inverse relationship between P-impedance and Total Organic Content (TOC) was observed and quantified. Likewise, a direct relationship between P-impedance and volume of carbonate was observed. The volume of kerogen, type of clay, type of carbonate and fluid pressure all control the geomechanical properties of the formation when subject to hydraulic fracturing. Probabilistic Neural Networks were then used to predict the lateral and vertical heterogeneity of rock properties. TOC and volume of kerogen behaved as adequate indicators of possible zones with high presence of hydrocarbons. Meanwhile, the volume of carbonate was a valid indicator of brittle-ductile rock. The predicted density volume was used to estimate geomechanical properties (Young's Modulus and Poisson's Ratio) and to identify the zones that have a better response to hydraulic stimulation. During the analysis of geomechanical properties, Young's Modulus was observed to have a direct relationship with volume of carbonate and an inverse relationship with TOC, enabling the identification of brittle and ductile rocks zones. The analysis detected zones that had a good presence of hydrocarbons and brittle rock. The information was integrated with the analysis of geomechanical properties generating a model with the most possible zones of good production. This model will aid in the future exploration and development of the Vaca Muerta Formation.

  17. Can Process Understanding Help Elucidate The Structure Of The Critical Zone? Comparing Process-Based Soil Formation Models With Digital Soil Mapping.

    NASA Astrophysics Data System (ADS)

    Vanwalleghem, T.; Román, A.; Peña, A.; Laguna, A.; Giráldez, J. V.

    2017-12-01

    There is a need for better understanding the processes influencing soil formation and the resulting distribution of soil properties in the critical zone. Soil properties can exhibit strong spatial variation, even at the small catchment scale. Especially soil carbon pools in semi-arid, mountainous areas are highly uncertain because bulk density and stoniness are very heterogeneous and rarely measured explicitly. In this study, we explore the spatial variability in key soil properties (soil carbon stocks, stoniness, bulk density and soil depth) as a function of processes shaping the critical zone (weathering, erosion, soil water fluxes and vegetation patterns). We also compare the potential of traditional digital soil mapping versus a mechanistic soil formation model (MILESD) for predicting these key soil properties. Soil core samples were collected from 67 locations at 6 depths. Total soil organic carbon stocks were 4.38 kg m-2. Solar radiation proved to be the key variable controlling soil carbon distribution. Stone content was mostly controlled by slope, indicating the importance of erosion. Spatial distribution of bulk density was found to be highly random. Finally, total carbon stocks were predicted using a random forest model whose main covariates were solar radiation and NDVI. The model predicts carbon stocks that are double as high on north versus south-facing slopes. However, validation showed that these covariates only explained 25% of the variation in the dataset. Apparently, present-day landscape and vegetation properties are not sufficient to fully explain variability in the soil carbon stocks in this complex terrain under natural vegetation. This is attributed to a high spatial variability in bulk density and stoniness, key variables controlling carbon stocks. Similar results were obtained with the mechanistic soil formation model MILESD, suggesting that more complex models might be needed to further explore this high spatial variability.

  18. Star Cluster Formation in Cosmological Simulations. I. Properties of Young Clusters

    NASA Astrophysics Data System (ADS)

    Li, Hui; Gnedin, Oleg Y.; Gnedin, Nickolay Y.; Meng, Xi; Semenov, Vadim A.; Kravtsov, Andrey V.

    2017-01-01

    We present a new implementation of star formation in cosmological simulations by considering star clusters as a unit of star formation. Cluster particles grow in mass over several million years at the rate determined by local gas properties, with high time resolution. The particle growth is terminated by its own energy and momentum feedback on the interstellar medium. We test this implementation for Milky Way-sized galaxies at high redshift by comparing the properties of model clusters with observations of young star clusters. We find that the cluster initial mass function is best described by a Schechter function rather than a single power law. In agreement with observations, at low masses the logarithmic slope is α ≈ 1.8{--}2, while the cutoff at high mass scales with the star formation rate (SFR). A related trend is a positive correlation between the surface density of the SFR and fraction of stars contained in massive clusters. Both trends indicate that the formation of massive star clusters is preferred during bursts of star formation. These bursts are often associated with major-merger events. We also find that the median timescale for cluster formation ranges from 0.5 to 4 Myr and decreases systematically with increasing star formation efficiency. Local variations in the gas density and cluster accretion rate naturally lead to the scatter of the overall formation efficiency by an order of magnitude, even when the instantaneous efficiency is kept constant. Comparison of the formation timescale with the observed age spread of young star clusters provides an additional important constraint on the modeling of star formation and feedback schemes.

  19. Star formation in galaxy mergers with realistic models of stellar feedback and the interstellar medium

    NASA Astrophysics Data System (ADS)

    Hopkins, Philip F.; Cox, Thomas J.; Hernquist, Lars; Narayanan, Desika; Hayward, Christopher C.; Murray, Norman

    2013-04-01

    We use hydrodynamic simulations with detailed, explicit models for stellar feedback to study galaxy mergers. These high-resolution (˜1 pc) simulations follow the formation and destruction of individual giant molecular clouds (GMC) and star clusters. We find that the final starburst is dominated by in situ star formation, fuelled by gas which flows inwards due to global torques. The resulting high gas density results in rapid star formation. The gas is self-gravitating, and forms massive (≲1010 M⊙) GMC and subsequently super star clusters (with masses up to 108 M⊙). However, in contrast to some recent simulations, the bulk of new stars which eventually form the central bulge are not born in super-clusters which then sink to the centre of the galaxy. This is because feedback efficiently disperses GMC after they turn several per cent of their mass into stars. In other words, most of the mass that reaches the nucleus does so in the form of gas. The Kennicutt-Schmidt law emerges naturally as a consequence of feedback balancing gravitational collapse, independent of the small-scale star formation microphysics. The same mechanisms that drive this relation in isolated galaxies, in particular radiation pressure from infrared photons, extend, with no fine-tuning, over seven decades in star formation rate (SFR) to regulate star formation in the most extreme starburst systems with densities ≳104 M⊙ pc-2. This feedback also drives super-winds with large mass-loss rates; however, a significant fraction of the wind material falls back on to the discs at later times, leading to higher post-starburst SFRs in the presence of stellar feedback. This suggests that strong active galactic nucleus feedback may be required to explain the sharp cut-offs in SFR that are observed in post-merger galaxies. We compare the results to those from simulations with no explicit resolution of GMC or feedback [`effective equation-of-state' (EOS) models]. We find that global galaxy properties are similar between EOS and resolved-feedback models. The relic structure and mass profile, and the total mass of stars formed in the nuclear starburst are quite similar, as is the morphological structure during and after mergers (tails, bridges, etc.). Disc survival in sufficiently gas rich mergers is similar in the two cases, and the new models follow the same scalings as derived for the efficiency of disc re-formation after a merger as derived from previous work with the simplified EOS models. While the global galaxy properties are similar between EOS and feedback models, subgalaxy-scale properties and the SFRs can be quite different: the more detailed models exhibit significantly higher star formation in tails and bridges (especially in shocks), and allow us to resolve the formation of super star clusters. In the new models, the star formation is more strongly time-variable and drops more sharply between close passages. The instantaneous burst enhancement can be higher or lower, depending on the details of the orbit and initial structural properties of the galaxies; first-passage bursts are more sensitive to these details than those at the final coalescence.

  20. Studying physical properties of deformed intact and fractured rocks by micro-scale hydro-mechanical-seismicity model

    NASA Astrophysics Data System (ADS)

    Raziperchikolaee, Samin

    The pore pressure variation in an underground formation during hydraulic stimulation of low permeability formations or CO2 sequestration into saline aquifers can induce microseismicity due to fracture generation or pre-existing fracture activation. While the analysis of microseismic data mainly focuses on mapping the location of fractures, the seismic waves generated by the microseismic events also contain information for understanding of fracture mechanisms based on microseismic source analysis. We developed a micro-scale geomechanics, fluid-flow and seismic model that can predict transport and seismic source behavior during rock failure. This model features the incorporation of microseismic source analysis in fractured and intact rock transport properties during possible rock damage and failure. The modeling method considers comprehensive grains and cements interaction through a bonded-particle-model. As a result of grain deformation and microcrack development in the rock sample, forces and displacements in the grains involved in the bond breakage are measured to determine seismic moment tensor. In addition, geometric description of the complex pore structure is regenerated to predict fluid flow behavior of fractured samples. Numerical experiments are conducted for different intact and fractured digital rock samples, representing various mechanical behaviors of rocks and fracture surface properties, to consider their roles on seismic and transport properties of rocks during deformation. Studying rock deformation in detail provides an opportunity to understand the relationship between source mechanism of microseismic events and transport properties of damaged rocks to have a better characterizing of fluid flow behavior in subsurface formations.

  1. Induced Star Formation

    NASA Astrophysics Data System (ADS)

    Kennicutt, Robert C., Jr.

    Overview: Induced Star Formation and Interactions Introduction Historical Background: First Hints Systematic Studies: Starbursts Interactions and Nuclear activity IRAS and Ultralumious starburst Galaxies The 1990's: HST, Supercomputers, and the Distant Universe Key Questions and Issues Organization of Lectures Star Formation Properties of Normal Galaxies Observational Techniques Results: Star Formation in Normal Galaxies Interpretation: Star Formation Histories Global Star Formation in interacting Galaxies A Gallery of Interactions and Mergers Star Formation Statistics: Guilt By Association Tests SFRs in Interacting vs Noninteracting Galaxies Kinematic Properties and Regulation of SFRs Induced Nuclear Activity and Star Formation Background: Nuclear Spectra and Classification Nuclear Star Formation and Starbursts Nuclear Star Formation and Interactions Induced AGN Activity: Statistics of Seyfert Galaxies Environments of Quasars Kinematic Clues to the Triggering of AGNs Infrared Luminous Galaxies and Starbursts Background: IR Luminous Galaxies and IRAS Infrared Luminosity Function and Spectra Infrared Structure and Morphology Interstellar Gas X-Ray Emission and Superwinds Optical, UV, and Near-Infrared Spectra Radio Continuum Emission Evidence for Interactions and Mergers The Power Source: Starbursts or Dusty AGNs? Spectral Diagnostics of Starbursts Evolutionary Synthesis Models Applications: Integrated Colors of Interacting Galaxies Applications: Hα Emission, Colors, and SFRs Applications: Spectral Modelling of Evolved Starbursts Infrared Starbursts and the IMF in starbursts Triggering and Regulation of Star Formation: The Problem Introduction: Star Formation as a Nonlinear Process The schmidt Law in Normal Galaxies Star Formation Regimes in Interacting Galaxies Summary Triggering and Regulation of Starbusts: Theoretical Ideas Gravitational Star Formation Thresholds Cloud Collision Models Radial Transport of Gas: Clues from Barred Galaxies Simulations of Starbursts in Merging Galaxies The Cosmological Role of Interactions and Starbursts Interactions in Hierarchical Cosmology Interaction-Induced Star Formation Today Interaction-Induced Star Formation in the Past Disk kinematics and the Merger Rate Global Effects of Starbursts and Superwinds Concluding Remarks References

  2. The Primordial Entropy of Jupiter

    NASA Astrophysics Data System (ADS)

    Cumming, Andrew; Helled, Ravit; Venturini, Julia

    2018-04-01

    The formation history of giant planets determines their primordial structure and consequent evolution. We simulate various formation paths of Jupiter to determine its primordial entropy, and find that a common outcome is for proto-Jupiter to have non-convective regions in its interior. We use planet formation models to calculate how the entropy and post-formation luminosity depend on model properties such as the solid accretion rate and opacity, and show that the gas accretion rate and its time evolution play a key role in determining the entropy profile. The predicted luminosity of Jupiter shortly after formation varies by a factor of 2-3 for different choices of model parameters. We find that entropy gradients inside Jupiter persist for ˜10 Myr after formation. We suggest that these gradients should be considered together with heavy-element composition gradients when modeling Jupiter's evolution and internal structure.

  3. The primordial entropy of Jupiter

    NASA Astrophysics Data System (ADS)

    Cumming, Andrew; Helled, Ravit; Venturini, Julia

    2018-07-01

    The formation history of giant planets determines their primordial structure and consequent evolution. We simulate various formation paths of Jupiter to determine its primordial entropy, and find that a common outcome is for proto-Jupiter to have non-convective regions in its interior. We use planet formation models to calculate how the entropy and post-formation luminosity depend on model properties such as the solid accretion rate and opacity, and show that the gas accretion rate and its time evolution play a key role in determining the entropy profile. The predicted luminosity of Jupiter shortly after formation varies by a factor of 2-3 for different choices of model parameters. We find that entropy gradients inside Jupiter persist for ˜10 Myr after formation. We suggest that these gradients should be considered together with heavy-element composition gradients when modelling Jupiter's evolution and internal structure.

  4. Dynamical thresholding of pancake models: a promising variant of the HDM picture

    NASA Astrophysics Data System (ADS)

    Buchert, Thomas

    Variants of pancake models are considered which allow for the construction of a phenomenological link to the galaxy formation process. A control parameter space is introduced which defines different scenarios of galaxy formation. The sensibility of statistical measures of the small-scale structure with respect to this parameter freedom is demonstrated. This property of the galaxy formation model, together with the consequences of enlarging the box size of the simulation to a `fair sample scale', form the basis of arguments to support the possible revival of the standard `Hot-Dark-Matter' model.

  5. In situ measurements of the photochemical formation rates and optical properties of organic aerosols in CH4/CO2 mixtures.

    NASA Astrophysics Data System (ADS)

    Adamkovics, M.; Boering, K. A.

    2003-12-01

    The presence of photochemically-generated hazes has a significant impact on radiative transfer in planetary atmospheres. While the rates of particle formation have been inferred from photochemical or microphysical models constrained to match observations, these rates have not been determined experimentally. Thus, the fundamental kinetics of particle formation are not known and remain highly parameterized in planetary atmospheric models. We have developed instrumentation for measuring the formation rates and optical properties of organic aerosols produced by irradiating mixtures of precursor gases via in situ optical (633nm) scattering and online quadrupole mass spectrometry (1-200 amu). Results for the generation of particulate hydrocarbons from the irradiation of pure, gas-phase CH4 as well as CH4/CO2 mixtures with vacuum ultraviolet (120-160nm) light, along with simultaneous measurements of the evolution of higher gas-phase hydrocarbons will be presented.

  6. Star cluster formation in cosmological simulations. I. Properties of young clusters

    DOE PAGES

    Li, Hui; Gnedin, Oleg Y.; Gnedin, Nickolay Y.; ...

    2017-01-03

    We present a new implementation of star formation in cosmological simulations by considering star clusters as a unit of star formation. Cluster particles grow in mass over several million years at the rate determined by local gas properties, with high time resolution. The particle growth is terminated by its own energy and momentum feedback on the interstellar medium. We test this implementation for Milky Way-sized galaxies at high redshift by comparing the properties of model clusters with observations of young star clusters. We find that the cluster initial mass function is best described by a Schechter function rather than a single power law. In agreement with observations, at low masses the logarithmic slope ismore » $$\\alpha \\approx 1.8\\mbox{–}2$$, while the cutoff at high mass scales with the star formation rate (SFR). A related trend is a positive correlation between the surface density of the SFR and fraction of stars contained in massive clusters. Both trends indicate that the formation of massive star clusters is preferred during bursts of star formation. These bursts are often associated with major-merger events. We also find that the median timescale for cluster formation ranges from 0.5 to 4 Myr and decreases systematically with increasing star formation efficiency. Local variations in the gas density and cluster accretion rate naturally lead to the scatter of the overall formation efficiency by an order of magnitude, even when the instantaneous efficiency is kept constant. As a result, comparison of the formation timescale with the observed age spread of young star clusters provides an additional important constraint on the modeling of star formation and feedback schemes.« less

  7. Star cluster formation in cosmological simulations. I. Properties of young clusters

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Hui; Gnedin, Oleg Y.; Gnedin, Nickolay Y.

    We present a new implementation of star formation in cosmological simulations by considering star clusters as a unit of star formation. Cluster particles grow in mass over several million years at the rate determined by local gas properties, with high time resolution. The particle growth is terminated by its own energy and momentum feedback on the interstellar medium. We test this implementation for Milky Way-sized galaxies at high redshift by comparing the properties of model clusters with observations of young star clusters. We find that the cluster initial mass function is best described by a Schechter function rather than a single power law. In agreement with observations, at low masses the logarithmic slope ismore » $$\\alpha \\approx 1.8\\mbox{–}2$$, while the cutoff at high mass scales with the star formation rate (SFR). A related trend is a positive correlation between the surface density of the SFR and fraction of stars contained in massive clusters. Both trends indicate that the formation of massive star clusters is preferred during bursts of star formation. These bursts are often associated with major-merger events. We also find that the median timescale for cluster formation ranges from 0.5 to 4 Myr and decreases systematically with increasing star formation efficiency. Local variations in the gas density and cluster accretion rate naturally lead to the scatter of the overall formation efficiency by an order of magnitude, even when the instantaneous efficiency is kept constant. As a result, comparison of the formation timescale with the observed age spread of young star clusters provides an additional important constraint on the modeling of star formation and feedback schemes.« less

  8. Petrophysical evaluation of subterranean formations

    DOEpatents

    Klein, James D; Schoderbek, David A; Mailloux, Jason M

    2013-05-28

    Methods and systems are provided for evaluating petrophysical properties of subterranean formations and comprehensively evaluating hydrate presence through a combination of computer-implemented log modeling and analysis. Certain embodiments include the steps of running a number of logging tools in a wellbore to obtain a variety of wellbore data and logs, and evaluating and modeling the log data to ascertain various petrophysical properties. Examples of suitable logging techniques that may be used in combination with the present invention include, but are not limited to, sonic logs, electrical resistivity logs, gamma ray logs, neutron porosity logs, density logs, NRM logs, or any combination or subset thereof.

  9. Understanding the Effect of Aerosol Properties on Cloud Droplet Formation during TCAP Field Campaign Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cziczo, Daniel

    2016-05-01

    The formation of clouds is an essential element in understanding the Earth’s radiative budget. Liquid water clouds form when the relative humidity exceeds saturation and condensedphase water nucleates on atmospheric particulate matter. The effect of aerosol properties such as size, morphology, and composition on cloud droplet formation has been studied theoretically as well as in the laboratory and field. Almost without exception these studies have been limited to parallel measurements of aerosol properties and cloud formation or collection of material after the cloud has formed, at which point nucleation information has been lost. Studies of this sort are adequate whenmore » a large fraction of the aerosol activates, but correlations and resulting model parameterizations are much more uncertain at lower supersaturations and activated fractions.« less

  10. Ice Cloud Formation and Dehydration in the Tropical Tropopause Layer

    NASA Technical Reports Server (NTRS)

    Jensen, Eric; Gore, Warren J. (Technical Monitor)

    2002-01-01

    Stratospheric water vapor is important not only for its greenhouse forcing, but also because it plays a significant role in stratospheric chemistry. Several recent studies have focused on the potential for dehydration due to ice cloud formation in air rising slowly through the tropical tropopause layer (TTL). Holton and Gettelman showed that temperature variations associated with horizontal transport of air in the TTL can drive ice cloud formation and dehydration, and Gettelman et al. recently examined the cloud formation and dehydration along kinematic trajectories using simple assumptions about the cloud properties. In this study, a Lagrangian, one-dimensional cloud model has been used to further investigate cloud formation and dehydration as air is transported horizontally and vertically through the TTL. Time-height curtains of temperature are extracted from meteorological analyses. The model tracks the growth, advection, and sedimentation of individual cloud particles. The regional distribution of clouds simulated in the model is comparable to the subvisible cirrus distribution indicated by SAGE II. The simulated cloud properties and cloud frequencies depend strongly on the assumed supersaturation threshold for ice nucleation. The clouds typically do not dehydrate the air along trajectories down to the temperature minimum saturation mixing ratio. Rather the water vapor mixing ratio crossing the tropopause along trajectories is 10-50% larger than the saturation mixing ratio. I will also discuss the impacts of Kelvin waves and gravity waves on cloud properties and dehydration efficiency. These simulations can be used to determine whether observed lower stratospheric water vapor mixing ratios can be explained by dehydration associated with in situ TTL cloud formation alone.

  11. Supercoil Formation During DNA Melting

    NASA Astrophysics Data System (ADS)

    Sayar, Mehmet; Avsaroglu, Baris; Kabakcioglu, Alkan

    2009-03-01

    Supercoil formation plays a key role in determining the structure-function relationship in DNA. Biological and technological processes, such as protein synthesis, polymerase chain reaction, and microarrays relys on separation of the two strands in DNA, which is coupled to the unwinding of the supercoiled structure. This problem has been studied theoretically via Peyrard-Bishop and Poland-Scheraga type models, which include a simple representation of the DNA structural properties. In recent years, computational models, which provide a more realtistic representaion of DNA molecule, have been used to study the melting behavior of short DNA chains. Here, we will present a new coarse-grained model of DNA which is capable of simulating sufficiently long DNA chains for studying the supercoil formation during melting, without sacrificing the local structural properties. Our coarse-grained model successfully reproduces the local geometry of the DNA molecule, such as the 3'-5' directionality, major-minor groove structure, and the helical pitch. We will present our initial results on the dynamics of supercoiling during DNA melting.

  12. Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

    NASA Astrophysics Data System (ADS)

    Katsaga, T.; Young, P.

    2009-05-01

    The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the sample testing, in relation to the CT images allows the precise reconstruction of the failure sequence. Our proposed modelling approach illustrates realistic fracture formation and growth predictions at different loading conditions.

  13. Lighting the dark molecular gas and a Bok globule

    NASA Astrophysics Data System (ADS)

    Togi, Aditya G.

    Stars are the building blocks of galaxies. The gas present in galaxies is the primary fuel for star formation. Galaxy evolution depends on the amount of gas present in the interstellar medium (ISM). Stars are born mainly from molecular gas in the GMCs. Robust knowledge of the molecular hydrogen H2 gas distribution is necessary to understand star formation in galaxies. Since H2 is not readily observable in the cold interstellar medium (ISM), the molecular gas content has traditionally been inferred using indirect tracers like carbon-monoxide (CO), dust emission, gamma ray interactions, and star formation efficiency. Physical processes resulting in enhancement and reduction of these indirect tracers can result in misleading estimates of molecular gas masses. My dissertation work is based on devising a new temperature power law distribution model for H2, a direct tracer, to calculate the total molecular gas mass in galaxies. The model parameters are estimated using mid infrared (MIR) H2 rotational line fluxes obtained from IRS-Spitzer (Infrared Spectrograph-Spitzer) instrument and the model is extrapolated to a suitable lower temperature to recover the total molecular gas mass. The power law model is able to recover the dark molecular gas, undetected by CO, in galaxies at metallicity as low as one-tenth of our Milky Way value. I have applied the power law model in U/LIRGs and shocks of Stephan's Quintet to understand molecular gas properties, where shocks play an important role in exciting H2. Comparing the molecular gas content derived through our power law model can be useful in studying the application of our model in mergers. The parameters derived by our model is useful in understanding variation in molecular gas properties in shock regions of Stephan's Quintet. Low mass stars are formed in small isolated dense cores known as Bok globules. Multiple star formation events are seen in a Bok globule. In my thesis I also studied a Bok globule, B207, and determined the physical properties and future evolutionary stage of the cloud. My thesis spans studying ISM properties in galaxies from kpc to sub-pc scales. Using the power law model in the coming era of James Webb Space Telescope (JWST) with the high sensitivity MIR Instrument (MIRI) spectrograph we will be able to understand the properties of molecular gas at low and high redshifts.

  14. An LES-PBE-PDF approach for modeling particle formation in turbulent reacting flows

    NASA Astrophysics Data System (ADS)

    Sewerin, Fabian; Rigopoulos, Stelios

    2017-10-01

    Many chemical and environmental processes involve the formation of a polydispersed particulate phase in a turbulent carrier flow. Frequently, the immersed particles are characterized by an intrinsic property such as the particle size, and the distribution of this property across a sample population is taken as an indicator for the quality of the particulate product or its environmental impact. In the present article, we propose a comprehensive model and an efficient numerical solution scheme for predicting the evolution of the property distribution associated with a polydispersed particulate phase forming in a turbulent reacting flow. Here, the particulate phase is described in terms of the particle number density whose evolution in both physical and particle property space is governed by the population balance equation (PBE). Based on the concept of large eddy simulation (LES), we augment the existing LES-transported probability density function (PDF) approach for fluid phase scalars by the particle number density and obtain a modeled evolution equation for the filtered PDF associated with the instantaneous fluid composition and particle property distribution. This LES-PBE-PDF approach allows us to predict the LES-filtered fluid composition and particle property distribution at each spatial location and point in time without any restriction on the chemical or particle formation kinetics. In view of a numerical solution, we apply the method of Eulerian stochastic fields, invoking an explicit adaptive grid technique in order to discretize the stochastic field equation for the number density in particle property space. In this way, sharp moving features of the particle property distribution can be accurately resolved at a significantly reduced computational cost. As a test case, we consider the condensation of an aerosol in a developed turbulent mixing layer. Our investigation not only demonstrates the predictive capabilities of the LES-PBE-PDF model but also indicates the computational efficiency of the numerical solution scheme.

  15. Engineering of layered, lipid-encapsulated drug nanoparticles through spray-drying.

    PubMed

    Sapra, Mahak; Mayya, Y S; Venkataraman, Chandra

    2017-06-01

    Drug-containing nanoparticles have been synthesized through the spray-drying of submicron droplet aerosols by using matrix materials such as lipids and biopolymers. Understanding layer formation in composite nanoparticles is essential for the appropriate engineering of particle substructures. The present study developed a droplet-shrinkage model for predicting the solid-phase formation of two non-volatile solutes-stearic acid lipid and a set of drugs, by considering molecular volume and solubility. Nanoparticle formation was simulated to define the parameter space of material properties and process conditions for the formation of a layered structure with the preferential accumulation of the lipid in the outer layer. Moreover, lipid-drug demarcation diagrams representing a set of critical values of ratios of solute properties at which the two solutes precipitate simultaneously were developed. The model was validated through the preparation of stearic acid-isoniazid nanoparticles under controlled processing conditions. The developed model can guide the selection of solvents, lipids, and processing conditions such that drug loading and lipid encapsulation in composite nanoparticles are optimized. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Multiscale Modeling for Linking Growth, Microstructure, and Properties of Inorganic Microporous Films

    NASA Technical Reports Server (NTRS)

    Vlachos, Dion G.

    2002-01-01

    The focus of this presentation is on multiscale modeling in order to link processing, microstructure, and properties of materials. Overview of problems we study includes: Growth mechanisms in chemical and physical vapor epitaxy; thin films of zeolites for separation and sensing; thin Pd films for hydrogen separation and pattern formation by self-regulation routes.

  17. Strength and acoustic properties of Ottawa sand containing laboratory-formed methane gas hydrate

    USGS Publications Warehouse

    Winters, William J.; Waite, William F.; Mason, David H.

    2004-01-01

    Although gas hydrate occurs in a wide variety of sediment types and is present and even pervasive at some locations on continental margins, little is known about how it forms naturally. Physical properties of the resultant gas hydrate-sediment mixtures, data needed for input into models that predict location and quantity of in situ hydrate are also lacking. Not only do properties of the host materials influence the type and quantity of hydrate formed and whether a particular deposit may be an economic resource or a geohazard, the properties of the natural sediment are also subsequently changed by the formation of gas hydrate in the pore space. The magnitude of the change is primarily related to the amount and the weighted inter-particle distribution of the hydrate deposits in relation to the actual sediment grains. Our goal is to understand the interaction between natural sediments and gas hydrate formation in order to quantify physical properties that are useful to predictive models.

  18. A modeling-based assessment of acousto-optic sensing for monitoring high-intensity focused ultrasound lesion formation

    NASA Astrophysics Data System (ADS)

    Adams, Matthew Tyler

    Real-time acousto-optic (AO) sensing---a dual-wave modality that combines ultrasound with diffuse light to probe the optical properties of turbid media---has been demonstrated to non-invasively detect changes in ex vivo tissue optical properties during high-intensity focused ultrasound (HIFU) exposure. The AO signal indicates the onset of lesion formation and predicts resulting lesion volumes. Although proof-of-concept experiments have been successful, many of the underlying parameters and mechanisms affecting thermally induced optical property changes and the AO detectability of HIFU lesion formation are not well understood. In thesis, a numerical simulation was developed to model the AO sensing process and capture the relevant acoustic, thermal, and optical transport processes. The simulation required data that described how optical properties changed with heating. Experiments were carried out where excised chicken breast was exposed to thermal bath heating and changes in the optical absorption and scattering spectra (500 nm--1100 nm) were measured using a scanning spectrophotometer and an integrating sphere assembly. Results showed that the standard thermal dose model currently used for guiding HIFU treatments needs to be adjusted to describe thermally induced optical property changes. To model the entire AO process, coupled models were used for ultrasound propagation, tissue heating, and diffusive light transport. The angular spectrum method was used to model the acoustic field from the HIFU source. Spatial-temporal temperature elevations induced by the absorption of ultrasound were modeled using a finite-difference time-domain solution to the Pennes bioheat equation. The thermal dose model was then used to determine optical properties based on the temperature history. The diffuse optical field in the tissue was then calculated using a GPU-accelerated Monte Carlo algorithm, which accounted for light-sound interactions and AO signal detection. The simulation was used to determine the optimal design for an AO guided HIFU system by evaluating the robustness of the systems signal to changes in tissue thickness, lesion optical contrast, and lesion location. It was determined that AO sensing is a clinically viable technique for guiding the ablation of large volumes and that real-time sensing may be feasible in the breast and prostate.

  19. The antimicrobial action of resveratrol against Listeria monocytogenes in food-based models and its antibiofilm properties.

    PubMed

    Ferreira, Susana; Domingues, Fernanda

    2016-10-01

    Resveratrol (3,5,4'-trihydroxy-trans-stilbene) is a natural phytoalexin synthesized by plants in response to stress. This compound has several beneficial documented properties, namely anti-inflammatory, antioxidant, neuroprotective and antimicrobial activities. In this study the antimicrobial activity of resveratrol against Listeria monocytogenes and Listeria innocua was investigated. Resveratrol had a minimum inhibitory concentration of 200 µg mL(-1) for the tested strains, with time-kill curves demonstrating bacteriostatic activity. Inhibition of biofilm formation was also assessed, with resveratrol strongly inhibiting biofilm formation by both species even at subinhibitory concentrations. Overall, resveratrol showed antimicrobial properties on planktonic cells and on biofilm formation ability. Considering the potential use of resveratrol as a food preservative, the antimicrobial efficacy of resveratrol in food was studied in milk, lettuce leaf model and chicken juice. Resveratrol retained greater efficacy in both lettuce leaf model and chicken juice, but milk had a negative impact on its antilisterial activity, indicating a possible reduction of resveratrol availability in milk. This study reinforces resveratrol as an antimicrobial agent, pointing out its antibiofilm activity and its potential use as preservative in some food matrices. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  20. Diffuse gas properties and stellar metallicities in cosmological simulations of disc galaxy formation

    NASA Astrophysics Data System (ADS)

    Marinacci, Federico; Pakmor, Rüdiger; Springel, Volker; Simpson, Christine M.

    2014-08-01

    We analyse the properties of the circumgalactic medium and the metal content of the stars comprising the central galaxy in eight hydrodynamical `zoom-in' simulations of disc galaxy formation. We use these properties as a benchmark for our model of galaxy formation physics implemented in the moving-mesh code AREPO, which succeeds in forming quite realistic late-type spirals in the set of `Aquarius' initial conditions of Milky-Way-sized haloes. Galactic winds significantly influence the morphology of the circumgalactic medium and induce bipolar features in the distribution of heavy elements. They also affect the thermodynamic properties of the circumgalactic gas by supplying an energy input that sustains its radiative losses. Although a significant fraction of the heavy elements are transferred from the central galaxy to the halo, and even beyond the virial radius, enough metals are retained by stars to yield a peak in their metallicity distributions at about Z⊙. All our default runs overestimate the stellar [O/Fe] ratio, an effect that we demonstrate can be rectified by an increase of the adopted Type Ia supernova rate. Nevertheless, the models have difficulty in producing stellar metallicity gradients of the same strength as observed in the Milky Way.

  1. Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Honma, Keisuke; Kobayashi, Nobuhiko; Hirose, Kenji

    2012-06-01

    We present a methodology to study the charge-transport properties of organic semiconductors by the time-dependent wave-packet diffusion method, taking the polaron effects into account. As an example, we investigate the transport properties of single-crystal pentacene organic semiconductors coupled with inter- and intramolecular vibrations within the mixed Holstein and Peierls model, which describes both hopping and bandlike transport behaviors due to small and large polaron formations. Taking into account static disorders, which inevitably exist in the molecular crystals, we present the temperature dependence of charge-transport properties in competition among the thermal fluctuation of molecular motions, the polaron formation, and the static disorders.

  2. Numerical two-dimensional calculations of the formation of the solar nebula

    NASA Technical Reports Server (NTRS)

    Bodenheimer, Peter H.

    1991-01-01

    Numerical two dimensional calculations of the formation of the solar nebula are presented. The following subject areas are covered: (1) observational constraints of the properties of the initial solar nebula; (2) the physical problem; (3) review if two dimensional calculations of the formation phase; (4) recent models with hydrodynamics and radiative transport; and (5) further evolution of the system.

  3. Integrated multiple-model adaptive fault identification and reconfigurable fault-tolerant control for Lead-Wing close formation systems

    NASA Astrophysics Data System (ADS)

    Liu, Chun; Jiang, Bin; Zhang, Ke

    2018-03-01

    This paper investigates the attitude and position tracking control problem for Lead-Wing close formation systems in the presence of loss of effectiveness and lock-in-place or hardover failure. In close formation flight, Wing unmanned aerial vehicle movements are influenced by vortex effects of the neighbouring Lead unmanned aerial vehicle. This situation allows modelling of aerodynamic coupling vortex-effects and linearisation based on optimal close formation geometry. Linearised Lead-Wing close formation model is transformed into nominal robust H-infinity models with respect to Mach hold, Heading hold, and Altitude hold autopilots; static feedback H-infinity controller is designed to guarantee effective tracking of attitude and position while manoeuvring Lead unmanned aerial vehicle. Based on H-infinity control design, an integrated multiple-model adaptive fault identification and reconfigurable fault-tolerant control scheme is developed to guarantee asymptotic stability of close-loop systems, error signal boundedness, and attitude and position tracking properties. Simulation results for Lead-Wing close formation systems validate the efficiency of the proposed integrated multiple-model adaptive control algorithm.

  4. Extrasolar planets: constraints for planet formation models.

    PubMed

    Santos, Nuno C; Benz, Willy; Mayor, Michel

    2005-10-14

    Since 1995, more than 150 extrasolar planets have been discovered, most of them in orbits quite different from those of the giant planets in our own solar system. The number of discovered extrasolar planets demonstrates that planetary systems are common but also that they may possess a large variety of properties. As the number of detections grows, statistical studies of the properties of exoplanets and their host stars can be conducted to unravel some of the key physical and chemical processes leading to the formation of planetary systems.

  5. Resolving Star Formation, Multiphase ISM Structure, and Wind Driving with MHD and RHD Models of Galactic Disks

    NASA Astrophysics Data System (ADS)

    Ostriker, Eve

    Current studies of star and galaxy formation have concluded that energetic feedback from young stars and supernovae (SNe) is crucial, both for controlling observed interstellar medium (ISM) properties and star formation rates in the Milky Way and other galaxies, and for driving galactic winds that govern the baryon abundance in dark matter halos. However, in many numerical studies of the ISM, energy inputs have not been implemented self-consistently with the evolving rate of gravitational collapse to make stars, or have considered only isolated star-forming clouds without a realistic galactic environment (including sheared rotation and externally-originating SNe), or have not directly incorporated radiation, magnetic, and chemical effects that are important or even dominant. In models of galaxy formation and evolution in the cosmic context, galactic winds are indispensable but highly uncertain as the physics of superbubble evolution and radiation-gas interactions cannot be resolved. Our central objectives are (1) to address the above limitations of current models, developing self-consistent simulations of the multiphase ISM in disk galaxies that resolve both star formation and stellar feedback, covering the range of scales needed to connect star cluster formation to galactic superwind ejection, and the range of environments from dwarfs to ULIRGs; and (2) to analyze the detailed properties of the gas, magnetic field, radiation field, and star formation/SNe in our simulations, including dependencies on local galactic disk environment, and to connect intrinsic properties with observable diagnostics. The proposed project will employ the Athena code for numerical magneto-hydrodynamic (MHD) and radiation-hydrodynamic (RHD) simulations, using comprehensive physics modules that have been developed, tested, and demonstrated in sample simulations. We will consider local ``shearing box'' disk models with gas surface density Sigma = 2 - 10,000 Msun/pc^2, and a range of stellar potentials and galactic rotation rates. Our simulations follow all thermal phases of the gas, the driving of turbulence, and the expulsion of material in high-velocity galactic winds as well as the circulation of lowervelocity material in galactic ``fountains.'' We resolve gravitational collapse and apply stellar population modeling to determine radiation emitted by star cluster particles, and both in situ and runaway O-star SN events. With time-dependent chemistry, we will be able to follow C+/C/CO transitions and assess the relationship between the observed molecular component and self-gravitating or diffuse clouds in varying galactic environments, also determining how cloud properties (e.g. distributions of mass, size, virial parameter, internal/external pressure, magnetization) and lifetimes depend on environment. We will also investigate the dependence on local galactic environment of: * mass and volume fractions, and turbulent and magnetic state, of each thermal and chemical ISM phase * star formation rate, and galactic wind mass loss rate in each ISM phase * metrics of ISM energy gain/loss, large-scale force balance, wind acceleration * roles of SN and radiation feedback in setting cloud SFEs, overall SFRs, and wind massloss rates Our models will be valuable for interpreting a wide range of observations with Chandra, Hubble, Spitzer, Herschel, Planck, and ground-based telescopes. Obtaining self-consistent solutions for the dynamical, thermal, magnetic, chemical, and radiative state of the star-forming ISM is a long-sought goal of galactic theory. Understanding why ISM and star formation properties vary among and within galaxies is essential for interpreting new multiwavelength extragalactic surveys. Connecting galactic winds to star formation via resolved physical mechanisms will provide a missing link in contemporary galaxy formation models. With our planned research program, we are in a position to achieve all of these advances.

  6. High throughput research and evaporation rate modeling for solvent screening for ethylcellulose barrier membranes in pharmaceutical applications.

    PubMed

    Schoener, Cody A; Curtis-Fisk, Jaime L; Rogers, True L; Tate, Michael P

    2016-10-01

    Ethylcellulose is commonly dissolved in a solvent or formed into an aqueous dispersion and sprayed onto various dosage forms to form a barrier membrane to provide controlled release in pharmaceutical formulations. Due to the variety of solvents utilized in the pharmaceutical industry and the importance solvent can play on film formation and film strength it is critical to understand how solvent can influence these parameters. To systematically study a variety of solvent blends and how these solvent blends influence ethylcellulose film formation, physical and mechanical film properties and solution properties such as clarity and viscosity. Using high throughput capabilities and evaporation rate modeling, thirty-one different solvent blends composed of ethanol, isopropanol, acetone, methanol, and/or water were formulated, analyzed for viscosity and clarity, and narrowed down to four solvent blends. Brookfield viscosity, film casting, mechanical film testing and water permeation were also completed. High throughput analysis identified isopropanol/water, ethanol, ethanol/water and methanol/acetone/water as solvent blends with unique clarity and viscosity values. Evaporation rate modeling further rank ordered these candidates from excellent to poor interaction with ethylcellulose. Isopropanol/water was identified as the most suitable solvent blend for ethylcellulose due to azeotrope formation during evaporation, which resulted in a solvent-rich phase allowing the ethylcellulose polymer chains to remain maximally extended during film formation. Consequently, the highest clarity and most ductile films were formed. Employing high throughput capabilities paired with evaporation rate modeling allowed strong predictions between solvent interaction with ethylcellulose and mechanical film properties.

  7. North Atlantic deep water formation and AMOC in CMIP5 models

    NASA Astrophysics Data System (ADS)

    Heuzé, Céline; Wåhlin, Anna

    2017-04-01

    North Atlantic deep water formation processes and properties in climate models are indicative of their ability to simulate future ocean circulation, ventilation, carbon and heat uptake, and sea level rise. Historical time series of temperature, salinity, sea ice concentration and ocean transport in the North Atlantic subpolar gyre and Nordic Seas from 23 CMIP5 (Climate Model Intercomparison Project, phase 5) models are compared with observations to reveal the causes and consequences of North Atlantic deep water formation in models. Deep convection occurs at the sea ice edge and is most realistic in models with accurate sea ice extent, mostly those using the CICE model. The trigger of deep convection varies among models; for one third it is intense surface cooling only, while the remaining two thirds also need upward mixing of subsurface warm salty water. The models with the most intense deep convection have the most accurate deep water properties, which are warmer and fresher than in the other models. They also have the strongest Atlantic Meridional Overturning Circulation (AMOC). For over half of the models, 40% of the variability of the AMOC is explained by the volumes of deep water produced in the subpolar gyre and Nordic Seas, with 3 and 4 years lag respectively. Understanding the dynamical drivers of the AMOC in models is key to realistically forecast a possible slow down and its consequences on the global circulation and marine life.

  8. Investigation of Mechanisms of Viscoelastic Behavior of Collagen Molecule

    PubMed Central

    Ghodsi, Hossein; Darvish, Kurosh

    2015-01-01

    Unique mechanical properties of collagen molecule make it one of the most important and abundant proteins in animals. Many tissues such as connective tissues rely on these properties to function properly. In the past decade, molecular dynamics (MD) simulations have been used extensively to study the mechanical behavior of molecules. For collagen, MD simulations were primarily used to determine its elastic properties. In this study, constant force steered MD simulations were used to perform creep tests on collagen molecule segments. The mechanical behavior of the segments, with lengths of approximately 20 (1X), 38 (2X), 74 (4X), and 290 nm (16X), was characterized using a quasi-linear model to describe the observed viscoelastic responses. To investigate the mechanisms of the viscoelastic behavior, hydrogen bonds (H-bonds) rupture/formation time history of the segments were analyzed and it was shown that the formation growth rate of H-bonds in the system is correlated with the creep growth rate of the segment ( β = 2.41 βH). In addition, a linear relationship between H-bonds formation growth rate and the length of the segment was quantified. Based on these findings, a general viscoelastic model was developed and verified where, using the smallest segment as a building block, the viscoelastic properties of larger segments could be predicted. In addition, the effect of temperature control methods on the mechanical properties were studied, and it was shown that application of Langevin Dynamics had adverse effect on these properties while the Lowe-Anderson method was shown to be more appropriate for this application. This study provides information that is essential for multi-scale modeling of collagen fibrils using a bottom-up approach. PMID:26256473

  9. Investigation of mechanisms of viscoelastic behavior of collagen molecule.

    PubMed

    Ghodsi, Hossein; Darvish, Kurosh

    2015-11-01

    Unique mechanical properties of collagen molecule make it one of the most important and abundant proteins in animals. Many tissues such as connective tissues rely on these properties to function properly. In the past decade, molecular dynamics (MD) simulations have been used extensively to study the mechanical behavior of molecules. For collagen, MD simulations were primarily used to determine its elastic properties. In this study, constant force steered MD simulations were used to perform creep tests on collagen molecule segments. The mechanical behavior of the segments, with lengths of approximately 20 (1X), 38 (2X), 74 (4X), and 290 nm (16X), was characterized using a quasi-linear model to describe the observed viscoelastic responses. To investigate the mechanisms of the viscoelastic behavior, hydrogen bonds (H-bonds) rupture/formation time history of the segments were analyzed and it was shown that the formation growth rate of H-bonds in the system is correlated with the creep growth rate of the segment (β=2.41βH). In addition, a linear relationship between H-bonds formation growth rate and the length of the segment was quantified. Based on these findings, a general viscoelastic model was developed and verified here, using the smallest segment as a building block, the viscoelastic properties of larger segments could be predicted. In addition, the effect of temperature control methods on the mechanical properties were studied, and it was shown that application of Langevin Dynamics had adverse effect on these properties while the Lowe-Anderson method was shown to be more appropriate for this application. This study provides information that is essential for multi-scale modeling of collagen fibrils using a bottom-up approach. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. The Star Formation Histories of Disk Galaxies: The Live, the Dead, and the Undead

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Oemler, Augustus Jr; Dressler, Alan; Abramson, Louis E.

    We reexamine the properties of local galaxy populations using published surveys of star formation, structure, and gas content. After recalibrating star formation measures, we are able to reliably measure specific star formation rates well below that of the so-called “main sequence” of star formation versus mass. We find an unexpectedly large population of quiescent galaxies with star formation rates intermediate between the main sequence and passive populations and with disproportionately high star formation rates. We demonstrate that a tight main sequence is a natural outcome of most histories of star formation and has little astrophysical significance but that the quiescentmore » population requires additional astrophysics to explain its properties. Using a simple model for disk evolution based on the observed dependence of star formation on gas content in local galaxies, and assuming simple histories of cold gas inflow, we show that the evolution of galaxies away from the main sequence can be attributed to the depletion of gas due to star formation after a cutoff of gas inflow. The quiescent population is composed of galaxies in which the density of disk gas has fallen below a threshold for star formation probably set by disk stability. The evolution of galaxies beyond the quiescent state to gas exhaustion and the end of star formation requires another process, probably wind-driven mass loss. The environmental dependence of the three galaxy populations is consistent with recent numerical modeling, which indicates that cold gas inflows into galaxies are truncated at earlier epochs in denser environments.« less

  11. Southern Ocean Bottom Water Characteristics in CMIP5 Models

    NASA Astrophysics Data System (ADS)

    Heuzé, Céline; Heywood, Karen; Stevens, David; Ridley, Jeff

    2013-04-01

    The depiction of Southern Ocean deep water properties and formation processes in climate models is an indicator of their capability to simulate future climate, heat and carbon uptake, and sea level rise. Southern Ocean potential temperature and density averaged over 1986-2005 from fifteen CMIP5 climate models are compared with an observed climatology, focusing on bottom water properties. The mean bottom properties are reasonably accurate for half of the models, but the other half may not yet have approached an equilibrium state. Eleven models create dense water on the Antarctic shelf, but it does not spill off and propagate northwards, alternatively mixing rapidly with less dense water. Instead most models create deep water by open ocean deep convection. Models with large deep convection areas are those with a strong seasonal cycle in sea ice. The most accurate bottom properties occur in models hosting deep convection in the Weddell and Ross gyres.

  12. The star formation history of low-mass disk galaxies: A case study of NGC 300

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoyu; Zhang, Fenghui; Chang, Ruixiang; Wang, Lang; Cheng, Liantao

    2016-01-01

    Context. Since NGC 300 is a bulgeless, isolated low-mass galaxy and it has not experienced radial migration during its evolution history, it can be treated as an ideal laboratory to test the simple galactic chemical evolution model. Aims: Our main aim is to investigate the main properties of the star formation history (SFH) of NGC 300 and compare its SFH with that of M 33 to explore the common properties and differences between these two nearby low-mass systems. Methods: We construct a simple chemical evolution model for NGC 300, assuming its disk forms gradually from continuous accretion of primordial gas and including the gas-outflow process. The model allows us to build a bridge between the SFH and observed data of NGC 300, in particular, the present-day radial profiles and global observed properties (e.g., cold gas mass, star formation rate, and metallicity). By means of comparing the model predictions with the corresponding observations, we adopt the classical χ2 methodology to find out the best combination of free parameters a, b, and bout. Results: Our results show that by assuming an inside-out formation scenario and an appropriate outflow rate, our model reproduces well most of the present-day observational values. The model not only reproduces well the radial profiles, but also the global observational data for the NGC 300 disk. Our results suggest that NGC 300 may experience a rapid growth of its disk. Through comparing the best-fitting, model-predicted SFH of NGC 300 with that of M 33, we find that the mean stellar age of NGC 300 is older than that of M 33 and there is a recent lack of primordial gas infall onto the disk of NGC 300. Our results also imply that the local environment may play a key role in the secular evolution of galaxy disks.

  13. Static reservoir modeling of the Bahariya reservoirs for the oilfields development in South Umbarka area, Western Desert, Egypt

    NASA Astrophysics Data System (ADS)

    Abdel-Fattah, Mohamed I.; Metwalli, Farouk I.; Mesilhi, El Sayed I.

    2018-02-01

    3D static reservoir modeling of the Bahariya reservoirs using seismic and wells data can be a relevant part of an overall strategy for the oilfields development in South Umbarka area (Western Desert, Egypt). The seismic data is used to build the 3D grid, including fault sticks for the fault modeling, and horizon interpretations and surfaces for horizon modeling. The 3D grid is the digital representation of the structural geology of Bahariya Formation. When we got a reasonably accurate representation, we fill the 3D grid with facies and petrophysical properties to simulate it, to gain a more precise understanding of the reservoir properties behavior. Sequential Indicator Simulation (SIS) and Sequential Gaussian Simulation (SGS) techniques are the stochastic algorithms used to spatially distribute discrete reservoir properties (facies) and continuous reservoir properties (shale volume, porosity, and water saturation) respectively within the created 3D grid throughout property modeling. The structural model of Bahariya Formation exhibits the trapping mechanism which is a fault assisted anticlinal closure trending NW-SE. This major fault breaks the reservoirs into two major fault blocks (North Block and South Block). Petrophysical models classified Lower Bahariya reservoir as a moderate to good reservoir rather than Upper Bahariya reservoir in terms of facies, with good porosity and permeability, low water saturation, and moderate net to gross. The Original Oil In Place (OOIP) values of modeled Bahariya reservoirs show hydrocarbon accumulation in economic quantity, considering the high structural dips at the central part of South Umbarka area. The powerful of 3D static modeling technique has provided a considerable insight into the future prediction of Bahariya reservoirs performance and production behavior.

  14. An automated cirrus classification

    NASA Astrophysics Data System (ADS)

    Gryspeerdt, Edward; Quaas, Johannes; Goren, Tom; Klocke, Daniel; Brueck, Matthias

    2018-05-01

    Cirrus clouds play an important role in determining the radiation budget of the earth, but many of their properties remain uncertain, particularly their response to aerosol variations and to warming. Part of the reason for this uncertainty is the dependence of cirrus cloud properties on the cloud formation mechanism, which itself is strongly dependent on the local meteorological conditions. In this work, a classification system (Identification and Classification of Cirrus or IC-CIR) is introduced to identify cirrus clouds by the cloud formation mechanism. Using reanalysis and satellite data, cirrus clouds are separated into four main types: orographic, frontal, convective and synoptic. Through a comparison to convection-permitting model simulations and back-trajectory-based analysis, it is shown that these observation-based regimes can provide extra information on the cloud-scale updraughts and the frequency of occurrence of liquid-origin ice, with the convective regime having higher updraughts and a greater occurrence of liquid-origin ice compared to the synoptic regimes. Despite having different cloud formation mechanisms, the radiative properties of the regimes are not distinct, indicating that retrieved cloud properties alone are insufficient to completely describe them. This classification is designed to be easily implemented in GCMs, helping improve future model-observation comparisons and leading to improved parametrisations of cirrus cloud processes.

  15. Hybrid structure of white layer in high carbon steel - Formation mechanism and its properties.

    PubMed

    Hossain, Rumana; Pahlevani, Farshid; Witteveen, Evelien; Banerjee, Amborish; Joe, Bill; Prusty, B Gangadhara; Dippenaar, Rian; Sahajwalla, Veena

    2017-10-16

    This study identifies for the first time, the hybrid structure of the white layer in high carbon steel and describes its formation mechanism and properties. The so-called 'white layer' in steel forms during high strain rate deformation and appears featureless under optical microscopy. While many researchers have investigated the formation of the white layer, there has been no definitive study, nor is there sufficient evidence to fully explain the formation, structure and properties of the layer. In this study, the formation, morphology and mechanical properties of the white layer was determined following impact testing, using a combination of optical and SE- microscopy, HR-EBSD, TKD and TEM as well as nano-indentation hardness measurements and FE modelling. The phase transformation and recrystallization within and near the white layer was also investigated. The microstructure of the steel in the white layer consisted of nano-sized grains of martensite. A very thin layer of austenite with nano sized grains was identified within the white layer by HR-EBSD techniques, the presence of which is attributed to a thermally-induced reverse phase transformation. Overall, the combination of phase transformations, strain hardening and grain refinement led to a hybrid structure and an increase in hardness of the white layer.

  16. Influence of matrix and filler fraction on biofilm formation on the surface of experimental resin-based composites.

    PubMed

    Ionescu, Andrei; Brambilla, Eugenio; Wastl, Daniel S; Giessibl, Franz J; Cazzaniga, Gloria; Schneider-Feyrer, Sibylle; Hahnel, Sebastian

    2015-01-01

    The aim of this study was to investigate the impact of resin matrix chemistry and filler fraction on biofilm formation on the surface of experimental resin-based composites (RBCs). Specimens were prepared from eight experimental RBC formulations differing in resin matrix blend (BisGMA/TEGDMA in a 7:3 wt% ratio or UDMA/aliphatic dimethacrylate in a 1:1 wt% ratio) and filler fraction (no fillers; 65 wt% dental glass with an average diameter of 7 or 0.7 µm or 65 wt% SiO2 with an average diameter of 20 nm). Surface roughness, surface free energy, and chemical surface composition were determined; surface topography was visualized using atomic force microscopy. Biofilm formation was simulated under continuous flow conditions for a 48 h period using a monospecies Streptococcus mutans and a multispecies biofilm model. In the monospecies biofilm model, the impact of the filler fraction overruled the influence of the resin matrix, indicating lowest biofilm formation on RBCs with nano-scaled filler particles and those manufactured from the neat resin blends. The multispecies model suggested a more pronounced effect of the resin matrix blend, as significantly higher biofilm formation was identified on RBCs with a UDMA/dimethacrylate matrix blend than on those including a BisGMA/TEGDMA matrix blend but analogous filler fractions. Although significant differences in surface properties between the various materials were identified, correlations between the surface properties and biofilm formation were poor, which highlights the relevance of surface topography and chemistry. These results may help to tailor novel RBC formulations which feature reduced biofilm formation on their surface.

  17. Laser-induced periodic surface structures formation: investigation of the effect of nonlinear absorption of laser energy in different materials

    NASA Astrophysics Data System (ADS)

    Levy, Yoann; Bulgakova, Nadezhda M.; Mocek, Tomáš

    2017-05-01

    To get insight into laser-induced periodic surface structures (LIPSS) formation, the relaxation of a modulation in the temperature profile is investigated numerically on surfaces of two different kinds of materials (metals and dielectrics; gold and fused silica as examples) upon irradiation by ultrashort laser pulses. The temperature modulation is assumed to originate from the interference between the incoming laser pulse and the surface electromagnetic wave, which is considered as the main mechanism of LIPSS formation. For comparative studies of laser energy dissipation, a simplified 2D approach is used. It is based on the two-temperature model (TTM) and considers the mechanisms of nonlinear absorption of laser light (multiphoton ionization in fused silica; temperature-dependent thermophysical and optical properties in gold) and relaxation (electron trapping to excitonic states in fused silica). The TTM is coupled with the Drude model, considering the evolution of optical properties as a function of free-carrier density and/or temperature. The development and decay of the lattice temperature modulation, which can govern the LIPSS formation, is followed during electron-lattice thermalization time and beyond. It is shown that strong temperature gradients can form along the surfaces of both kinds of materials under study within the fluence range typical for LIPSS formation. Considerable changes in optical properties of these materials are found as a function of time, including metals, for which a constant reflectivity is usually assumed. Effects of nonlinear absorption on the surface temperature dynamics are reported.

  18. Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium) DFT model chemistry versus experimental techniques

    NASA Astrophysics Data System (ADS)

    Mendoza-Wilson, Ana María.; Lardizabal-Gutiérrez, Daniel; Torres-Moye, Enrique; Fuentes-Cobas, Luis; Balandrán-Quintana, René R.; Camacho-Dávila, Alejandro; Quintero-Ramos, Armando; Glossman-Mitnik, Daniel

    2007-12-01

    The purpose of this work was to evaluate the accuracy of the CHIH(medium)-DFT model chemistry (PBEg/CBSB2 ∗∗//PBEg/CBSB4) in the determination of the optimized structure and thermochemical properties of heterocyclic systems of medium size such as flavonoids, wherefore were selected three of the most abundant flavonoids in vegetable tissues, and which posses the higher antioxidant activity: quercetin, (+)-catechin and cyanidin. As reference systems were employed three cyclic compounds: phenol, catechol and resorcinol. The thermochemical properties evaluated were enthalpy of formation, bond dissociation enthalpy (BDE) and ionization potential (IP), following the scheme of isodesmic reactions. The theoretical results were compared with experimental data generated by X-ray diffraction and calorimetric techniques realized in part by us, whereas other data were taken from the literature. The results obtained in this work reveal that the CHIH(medium)-DFT model chemistry represents an accurate computational tool to calculate structural and thermochemical properties in the studied flavonoid and reference compounds. The average absolute deviation of enthalpy of formation for reference compounds was 3.0 kcal/mol, 2.64 kcal/mol for BDE, and 2.97 kcal/mol for IP.

  19. Quantum games of opinion formation based on the Marinatto-Weber quantum game scheme

    NASA Astrophysics Data System (ADS)

    Deng, Xinyang; Deng, Yong; Liu, Qi; Shi, Lei; Wang, Zhen

    2016-06-01

    Quantization has become a new way to investigate classical game theory since quantum strategies and quantum games were proposed. In the existing studies, many typical game models, such as the prisoner's dilemma, battle of the sexes, Hawk-Dove game, have been extensively explored by using quantization approach. Along a similar method, here several game models of opinion formations will be quantized on the basis of the Marinatto-Weber quantum game scheme, a frequently used scheme of converting classical games to quantum versions. Our results show that the quantization can fascinatingly change the properties of some classical opinion formation game models so as to generate win-win outcomes.

  20. The Thermodynamic Properties of Cubanite

    NASA Technical Reports Server (NTRS)

    Berger, E. L.; Lauretta, D. S.; Keller, L. P.

    2012-01-01

    CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

  1. Cosmic Reionization On Computers: Numerical and Physical Convergence

    DOE PAGES

    Gnedin, Nickolay Y.

    2016-04-01

    In this paper I show that simulations of reionization performed under the Cosmic Reionization On Computers (CROC) project do converge in space and mass, albeit rather slowly. A fully converged solution (for a given star formation and feedback model) can be determined at a level of precision of about 20%, but such a solution is useless in practice, since achieving it in production-grade simulations would require a large set of runs at various mass and spatial resolutions, and computational resources for such an undertaking are not yet readily available. In order to make progress in the interim, I introduce amore » weak convergence correction factor in the star formation recipe, which allows one to approximate the fully converged solution with finite resolution simulations. The accuracy of weakly converged simulations approaches a comparable, ~20% level of precision for star formation histories of individual galactic halos and other galactic properties that are directly related to star formation rates, like stellar masses and metallicities. Yet other properties of model galaxies, for example, their HI masses, are recovered in the weakly converged runs only within a factor of two.« less

  2. Cosmic Reionization On Computers: Numerical and Physical Convergence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gnedin, Nickolay Y.

    In this paper I show that simulations of reionization performed under the Cosmic Reionization On Computers (CROC) project do converge in space and mass, albeit rather slowly. A fully converged solution (for a given star formation and feedback model) can be determined at a level of precision of about 20%, but such a solution is useless in practice, since achieving it in production-grade simulations would require a large set of runs at various mass and spatial resolutions, and computational resources for such an undertaking are not yet readily available. In order to make progress in the interim, I introduce amore » weak convergence correction factor in the star formation recipe, which allows one to approximate the fully converged solution with finite resolution simulations. The accuracy of weakly converged simulations approaches a comparable, ~20% level of precision for star formation histories of individual galactic halos and other galactic properties that are directly related to star formation rates, like stellar masses and metallicities. Yet other properties of model galaxies, for example, their HI masses, are recovered in the weakly converged runs only within a factor of two.« less

  3. Disk Evolution, Element Abundances and Cloud Properties of Young Gas Giant Planets

    PubMed Central

    Helling, Christiane; Woitke, Peter; Rimmer, Paul B.; Kamp, Inga; Thi, Wing-Fai; Meijerink, Rowin

    2014-01-01

    We discuss the chemical pre-conditions for planet formation, in terms of gas and ice abundances in a protoplanetary disk, as function of time and position, and the resulting chemical composition and cloud properties in the atmosphere when young gas giant planets form, in particular discussing the effects of unusual, non-solar carbon and oxygen abundances. Large deviations between the abundances of the host star and its gas giants seem likely to occur if the planet formation follows the core-accretion scenario. These deviations stem from the separate evolution of gas and dust in the disk, where the dust forms the planet cores, followed by the final run-away accretion of the left-over gas. This gas will contain only traces of elements like C, N and O, because those elements have frozen out as ices. ProDiMo protoplanetary disk models are used to predict the chemical evolution of gas and ice in the midplane. We find that cosmic rays play a crucial role in slowly un-blocking the CO, where the liberated oxygen forms water, which then freezes out quickly. Therefore, the C/O ratio in the gas phase is found to gradually increase with time, in a region bracketed by the water and CO ice-lines. In this regions, C/O is found to approach unity after about 5 Myrs, scaling with the cosmic ray ionization rate assumed. We then explore how the atmospheric chemistry and cloud properties in young gas giants are affected when the non-solar C/O ratios predicted by the disk models are assumed. The Drift cloud formation model is applied to study the formation of atmospheric clouds under the influence of varying premordial element abundances and its feedback onto the local gas. We demonstrate that element depletion by cloud formation plays a crucial role in converting an oxygen-rich atmosphere gas into carbon-rich gas when non-solar, premordial element abundances are considered as suggested by disk models. PMID:25370190

  4. Disk evolution, element abundances and cloud properties of young gas giant planets.

    PubMed

    Helling, Christiane; Woitke, Peter; Rimmer, Paul B; Kamp, Inga; Thi, Wing-Fai; Meijerink, Rowin

    2014-04-14

    We discuss the chemical pre-conditions for planet formation, in terms of gas and ice abundances in a protoplanetary disk, as function of time and position, and the resulting chemical composition and cloud properties in the atmosphere when young gas giant planets form, in particular discussing the effects of unusual, non-solar carbon and oxygen abundances. Large deviations between the abundances of the host star and its gas giants seem likely to occur if the planet formation follows the core-accretion scenario. These deviations stem from the separate evolution of gas and dust in the disk, where the dust forms the planet cores, followed by the final run-away accretion of the left-over gas. This gas will contain only traces of elements like C, N and O, because those elements have frozen out as ices. PRODIMO protoplanetary disk models are used to predict the chemical evolution of gas and ice in the midplane. We find that cosmic rays play a crucial role in slowly un-blocking the CO, where the liberated oxygen forms water, which then freezes out quickly. Therefore, the C/O ratio in the gas phase is found to gradually increase with time, in a region bracketed by the water and CO ice-lines. In this regions, C/O is found to approach unity after about 5 Myrs, scaling with the cosmic ray ionization rate assumed. We then explore how the atmospheric chemistry and cloud properties in young gas giants are affected when the non-solar C/O ratios predicted by the disk models are assumed. The DRIFT cloud formation model is applied to study the formation of atmospheric clouds under the influence of varying premordial element abundances and its feedback onto the local gas. We demonstrate that element depletion by cloud formation plays a crucial role in converting an oxygen-rich atmosphere gas into carbon-rich gas when non-solar, premordial element abundances are considered as suggested by disk models.

  5. Mechanical Model of Geometric Cell and Topological Algorithm for Cell Dynamics from Single-Cell to Formation of Monolayered Tissues with Pattern

    PubMed Central

    Kachalo, Sëma; Naveed, Hammad; Cao, Youfang; Zhao, Jieling; Liang, Jie

    2015-01-01

    Geometric and mechanical properties of individual cells and interactions among neighboring cells are the basis of formation of tissue patterns. Understanding the complex interplay of cells is essential for gaining insight into embryogenesis, tissue development, and other emerging behavior. Here we describe a cell model and an efficient geometric algorithm for studying the dynamic process of tissue formation in 2D (e.g. epithelial tissues). Our approach improves upon previous methods by incorporating properties of individual cells as well as detailed description of the dynamic growth process, with all topological changes accounted for. Cell size, shape, and division plane orientation are modeled realistically. In addition, cell birth, cell growth, cell shrinkage, cell death, cell division, cell collision, and cell rearrangements are now fully accounted for. Different models of cell-cell interactions, such as lateral inhibition during the process of growth, can be studied in detail. Cellular pattern formation for monolayered tissues from arbitrary initial conditions, including that of a single cell, can also be studied in detail. Computational efficiency is achieved through the employment of a special data structure that ensures access to neighboring cells in constant time, without additional space requirement. We have successfully generated tissues consisting of more than 20,000 cells starting from 2 cells within 1 hour. We show that our model can be used to study embryogenesis, tissue fusion, and cell apoptosis. We give detailed study of the classical developmental process of bristle formation on the epidermis of D. melanogaster and the fundamental problem of homeostatic size control in epithelial tissues. Simulation results reveal significant roles of solubility of secreted factors in both the bristle formation and the homeostatic control of tissue size. Our method can be used to study broad problems in monolayered tissue formation. Our software is publicly available. PMID:25974182

  6. THE OPEP COARSE-GRAINED PROTEIN MODEL: FROM SINGLE MOLECULES, AMYLOID FORMATION, ROLE OF MACROMOLECULAR CROWDING AND HYDRODYNAMICS TO RNA/DNA COMPLEXES

    PubMed Central

    Sterpone, Fabio; Melchionna, Simone; Tuffery, Pierre; Pasquali, Samuela; Mousseau, Normand; Cragnolini, Tristan; Chebaro, Yassmine; Saint-Pierre, Jean-Francois; Kalimeri, Maria; Barducci, Alessandro; Laurin, Yohan; Tek, Alex; Baaden, Marc; Nguyen, Phuong Hoang; Derreumaux, Philippe

    2015-01-01

    The OPEP coarse-grained protein model has been applied to a wide range of applications since its first release 15 years ago. The model, which combines energetic and structural accuracy and chemical specificity, allows studying single protein properties, DNA/RNA complexes, amyloid fibril formation and protein suspensions in a crowded environment. Here we first review the current state of the model and the most exciting applications using advanced conformational sampling methods. We then present the current limitations and a perspective on the on-going developments. PMID:24759934

  7. New particle formation from sulfuric acid and amines: Similarities and differences between mono-, di-, and trimethylamines

    NASA Astrophysics Data System (ADS)

    Olenius, Tinja; Halonen, Roope; Kurtén, Theo; Henschel, Henning; Kupiainen-Määttä, Oona; Ortega, Ismael K.; Vehkamäki, Hanna; Riipinen, Ilona

    2017-04-01

    Amines are organic base species that are emitted to the atmosphere from both anthropogenic and natural sources. Both theoretical and laboratory studies suggest that mono-, di-, and trimethylamines (MMA, DMA, and TMA, respectively) are capable of enhancing the initial steps of sulfuric acid-driven aerosol particle formation much more strongly than ammonia (Kurtén et al., 2008; Jen et al., 2014). Despite the potential importance for atmospheric new particle formation, quantitative estimates on the emissions and thermochemical properties of amines remain relatively uncertain. Because of this and also due to computational reasons, recent large-scale modeling studies have treated sulfuric acid-amine nucleation by introducing a single surrogate amine species, the total emissions of which combine together MMA, DMA and TMA but which resembles DMA or TMA in its various properties (e.g. Bergman et al., 2015). On the other hand, there are likely to be differences in the potentials of the three amines to enhance particle formation, causing uncertainties to the lumping approach. Systematic comparisons are needed to evaluate how to treat these species in atmospheric models and to assess what level of simplification is justifiable. In this work, we study the differences and similarities of MMA, DMA and TMA by modeling nanoparticle formation from sulfuric acid, water, and each of the three amines. We simulate molecular cluster concentrations and formation rates at boundary layer conditions with a dynamic cluster population model using quantum chemistry-based cluster evaporation rates, and study the dependence of particle formation rate on precursor vapor concentrations, temperature and relative humidity. The results suggest that for the three amines, there are differences in the nucleation mechanism and hygroscopicity of molecular clusters. However, for DMA and TMA, formation of nanometer-sized particles and its dependence on ambient conditions is roughly similar: both efficiently form molecular clusters with sulfuric acid, and cluster formation is rather insensitive to changes in temperature and relative humidity. For MMA, on the other hand, particle formation is weaker and more sensitive to ambient conditions. Therefore, the results indicate that DMA and TMA can be approximated as a lumped species, but merging MMA together with DMA and TMA introduces inaccuracies in sulfuric acid-amine particle formation schemes. Moreover, including MMA emissions in a surrogate amine approach which assumes that the amine has the thermochemical properties of DMA or TMA is likely to result in an overprediction of particle formation rate. References Bergman et al., J. Geophys. Res. Atmos., 120, 9606-9624, 2015 Jen et al., J. Geophys. Res. Atmos., 119, 7502-7514, 2014 Kurtén et al., Atmos. Chem. Phys., 8, 4095-4103, 2008

  8. Machine-learning-assisted materials discovery using failed experiments

    NASA Astrophysics Data System (ADS)

    Raccuglia, Paul; Elbert, Katherine C.; Adler, Philip D. F.; Falk, Casey; Wenny, Malia B.; Mollo, Aurelio; Zeller, Matthias; Friedler, Sorelle A.; Schrier, Joshua; Norquist, Alexander J.

    2016-05-01

    Inorganic-organic hybrid materials such as organically templated metal oxides, metal-organic frameworks (MOFs) and organohalide perovskites have been studied for decades, and hydrothermal and (non-aqueous) solvothermal syntheses have produced thousands of new materials that collectively contain nearly all the metals in the periodic table. Nevertheless, the formation of these compounds is not fully understood, and development of new compounds relies primarily on exploratory syntheses. Simulation- and data-driven approaches (promoted by efforts such as the Materials Genome Initiative) provide an alternative to experimental trial-and-error. Three major strategies are: simulation-based predictions of physical properties (for example, charge mobility, photovoltaic properties, gas adsorption capacity or lithium-ion intercalation) to identify promising target candidates for synthetic efforts; determination of the structure-property relationship from large bodies of experimental data, enabled by integration with high-throughput synthesis and measurement tools; and clustering on the basis of similar crystallographic structure (for example, zeolite structure classification or gas adsorption properties). Here we demonstrate an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites. We used information on ‘dark’ reactions—failed or unsuccessful hydrothermal syntheses—collected from archived laboratory notebooks from our laboratory, and added physicochemical property descriptions to the raw notebook information using cheminformatics techniques. We used the resulting data to train a machine-learning model to predict reaction success. When carrying out hydrothermal synthesis experiments using previously untested, commercially available organic building blocks, our machine-learning model outperformed traditional human strategies, and successfully predicted conditions for new organically templated inorganic product formation with a success rate of 89 per cent. Inverting the machine-learning model reveals new hypotheses regarding the conditions for successful product formation.

  9. Modelling hazardous surface hoar layers in the mountain snowpack over space and time

    NASA Astrophysics Data System (ADS)

    Horton, Simon Earl

    Surface hoar layers are a common failure layer in hazardous snow slab avalanches. Surface hoar crystals (frost) initially form on the surface of the snow, and once buried can remain a persistent weak layer for weeks or months. Avalanche forecasters have difficulty tracking the spatial distribution and mechanical properties of these layers in mountainous terrain. This thesis presents numerical models and remote sensing methods to track the distribution and properties of surface hoar layers over space and time. The formation of surface hoar was modelled with meteorological data by calculating the downward flux of water vapour from the atmospheric boundary layer. The timing of surface hoar formation and the modelled crystal size was verified at snow study sites throughout western Canada. The major surface hoar layers over several winters were predicted with fair success. Surface hoar formation was modelled over various spatial scales using meteorological data from weather forecast models. The largest surface hoar crystals formed in regions and elevation bands with clear skies, warm and humid air, cold snow surfaces, and light winds. Field surveys measured similar regional-scale patterns in surface hoar distribution. Surface hoar formation patterns on different slope aspects were observed, but were not modelled reliably. Mechanical field tests on buried surface hoar layers found layers increased in shear strength over time, but had persistent high propensity for fracture propagation. Layers with large crystals and layers overlying hard melt-freeze crusts showed greater signs of instability. Buried surface hoar layers were simulated with the snow cover model SNOWPACK and verified with avalanche observations, finding most hazardous surface hoar layers were identified with a structural stability index. Finally, the optical properties of surface hoar crystals were measured in the field with spectral instruments. Large plate-shaped crystals were less reflective at shortwave infrared wavelengths than other common surface snow grains. The methods presented in this thesis were developed into operational products that model hazardous surface hoar layers in western Canada. Further research and refinements could improve avalanche forecasts in regions prone to hazardous surface hoar layers.

  10. Kinetic modeling of sporulation and product formation in stationary phase by Bacillus coagulans RK-02 vis-à-vis other Bacilli.

    PubMed

    Das, Subhasish; Sen, Ramkrishna

    2011-10-01

    A logistic kinetic model was derived and validated to characterize the dynamics of a sporogenous bacterium in stationary phase with respect to sporulation and product formation. The kinetic constants as determined using this model are particularly important for describing intrinsic properties of a sporogenous bacterial culture in stationary phase. Non-linear curve fitting of the experimental data into the mathematical model showed very good correlation with the predicted values for sporulation and lipase production by Bacillus coagulans RK-02 culture in minimal media. Model fitting of literature data of sporulation and product (protease and amylase) formation in the stationary phase by some other Bacilli and comparison of the results of model fitting with those of Bacillus coagulans helped validate the significance and robustness of the developed kinetic model. Copyright © 2011 Elsevier Ltd. All rights reserved.

  11. Clustering of galaxies in a hierarchical universe - I. Methods and results at z=0

    NASA Astrophysics Data System (ADS)

    Kauffmann, Guinevere; Colberg, Jorg M.; Diaferio, Antonaldo; White, Simon D. M.

    1999-02-01

    We introduce a new technique for following the formation and evolution of galaxies in cosmological N-body simulations. Dissipationless simulations are used to track the formation and merging of dark matter haloes as a function of redshift. Simple prescriptions, taken directly from semi-analytic models of galaxy formation, are adopted for gas cooling, star formation, supernova feedback and the merging of galaxies within the haloes. This scheme enables us to explore the clustering properties of galaxies, and to investigate how selection by luminosity, colour or type influences the results. In this paper we study the properties of the galaxy distribution at z=0. These include B- and K-band luminosity functions, two-point correlation functions, pairwise peculiar velocities, cluster mass-to-light ratios, B-V colours, and star formation rates. We focus on two variants of a cold dark matter (CDM) cosmology: a high-density (Omega =1) model with shape-parameter Gamma =0.21 (tau CDM), and a low-density model with Omega =0.3 and Lambda =0.7 (Lambda CDM). Both models are normalized to reproduce the I-band Tully-Fisher relation of Giovanelli et al. near a circular velocity of 220 km s^-1. Our results depend strongly both on this normalization and on the adopted prescriptions for star formation and feedback. Very different assumptions are required to obtain an acceptable model in the two cases. For tau CDM, efficient feedback is required to suppress the growth of galaxies, particularly in low-mass field haloes. Without it, there are too many galaxies and the correlation function exhibits a strong turnover on scales below 1 Mpc. For Lambda CDM, feedback must be weaker, otherwise too few L_* galaxies are produced and the correlation function is too steep. Although neither model is perfect, both come close to reproducing most of the data. Given the uncertainties in modelling some of the critical physical processes, we conclude that it is not yet possible to draw firm conclusions about the values of cosmological parameters from studies of this kind. Further observational work on global star formation and feedback effects is required to narrow the range of possibilities.

  12. Predictive model for ice formation on superhydrophobic surfaces.

    PubMed

    Bahadur, Vaibhav; Mishchenko, Lidiya; Hatton, Benjamin; Taylor, J Ashley; Aizenberg, Joanna; Krupenkin, Tom

    2011-12-06

    The prevention and control of ice accumulation has important applications in aviation, building construction, and energy conversion devices. One area of active research concerns the use of superhydrophobic surfaces for preventing ice formation. The present work develops a physics-based modeling framework to predict ice formation on cooled superhydrophobic surfaces resulting from the impact of supercooled water droplets. This modeling approach analyzes the multiple phenomena influencing ice formation on superhydrophobic surfaces through the development of submodels describing droplet impact dynamics, heat transfer, and heterogeneous ice nucleation. These models are then integrated together to achieve a comprehensive understanding of ice formation upon impact of liquid droplets at freezing conditions. The accuracy of this model is validated by its successful prediction of the experimental findings that demonstrate that superhydrophobic surfaces can fully prevent the freezing of impacting water droplets down to surface temperatures of as low as -20 to -25 °C. The model can be used to study the influence of surface morphology, surface chemistry, and fluid and thermal properties on dynamic ice formation and identify parameters critical to achieving icephobic surfaces. The framework of the present work is the first detailed modeling tool developed for the design and analysis of surfaces for various ice prevention/reduction strategies. © 2011 American Chemical Society

  13. Formation of water-in-oil emulsions and application to oil spill modelling.

    PubMed

    Fingas, Merv; Fieldhouse, Ben

    2004-02-27

    Water-in-oil mixtures were grouped into four states or classes: stable, mesostable, unstable, and entrained water. Of these, only stable and mesostable states can be characterized as emulsions. These states were established according to lifetime, visual appearance, complex modulus, and differences in viscosity. Water content at formation was not an important factor. Water-in-oil emulsions made from crude oils have different classes of stability as a result of the asphaltene and resin contents, as well as differences in the viscosity of the starting oil. The different types of water-in-oil classes are readily distinguished simply by appearance, as well as by rheological properties. A review of past modelling efforts to predict emulsion formation showed that these older schemes were based on first-order rate equations that were developed before extensive work on emulsion physics took place. These results do not correspond to either laboratory or field results. The present authors suggest that both the formation and characteristics of emulsions could be predicted using empirical data. If the same oil type as already studied is to be modelled, the laboratory data on the state and properties can be used directly. In this paper, a new numerical modelling scheme is proposed and is based on empirical data and the corresponding physical knowledge of emulsion formation. The density, viscosity, saturate, asphaltene and resin contents are used to compute a class index which yields either an unstable or entrained water-in-oil state or a mesostable or stable emulsion. A prediction scheme is given to estimate the water content and viscosity of the resulting water-in-oil state and the time to formation with input of wave height.

  14. Understanding the hydrologic and geochemical control of regolith formation on shale in a hilly landscape

    NASA Astrophysics Data System (ADS)

    Xiao, D.; Brantley, S.; Li, L.

    2017-12-01

    Chemical weathering transforms rock to soil and determine soil texture, bedrock depth, and soil hydrological properties. At the Shale Hills watershed in central Pennsylvania, field evidence indicated that the regolith depth, hydrologic processes, and chemical depletion are different at the two aspects. Current regolith formation models considering reactive transport processes have a limitation in coupling complex and evolving hydrodynamic conditions. We hypothesize that deeper regolith forms when more water flushes dissolved mass out of the system. The hypothesis is tested by developing a two-dimensional regolith formation model at the hillslope scale using measured mineral composition and hydrologic properties at Shale Hills using CrunchFlow. A 2-D hillslope domain was setup to simulate hydrogeochemical processes at north and south aspects and to understand the evolution of hydrodynamics, rock properties, and extent of chemical reactions. The bedrock has the primary minerals of quartz, illite, chlorite, calcite, and pyrite; goethite and kaolinite precipitated as secondary minerals. The permeability, mass transfer, and groundwater table depth were constrained by field measurement. We implemented different recharge rates on north and south aspects based on the annually averaged fluxes from a current reanalysis using a hydrologic model. The simulation started from a homogeneous bedrock composition at 10,000 years ago. After 10,000 years' weathering, the south facing aspect with small recharge rate has a shallower soil and regolith. The simulation output indicates the formation of a shallow and a deep groundwater, based on the formation of lateral flow that connects to the stream. One is at the interface between high permeability soil zone and low permeability regolith zone, forming a relatively high-velocity perched groundwater layer. The remnant water infiltrates into the deeper low permeability zone and forms the regional groundwater layer. Because of high permeability in perched layer on north facing aspect, the remnant water in regional groundwater layer leads to shallower water table depth on north facing aspect. The model will be used to understand the role fractures, climate, and mineral compositions in affecting regolith formation.

  15. Molecular simulations and experimental studies of zeolites

    NASA Astrophysics Data System (ADS)

    Moloy, Eric C.

    Zeolites are microporous aluminosilicate tetrahedral framework materials that have symmetric cages and channels with open-diameters between 0.2 and 2.0 nm. Zeolites are used extensively in the petrochemical industries for both their microporosity and their catalytic properties. The role of water is paramount to the formation, structure, and stability of these materials. Zeolites frequently have extra-framework cations, and as a result, are important ion-exchange materials. Zeolites also play important roles as molecular sieves and catalysts. For all that is known about zeolites, much remains a mystery. How, for example, can the well established metastability of these structures be explained? What is the role of water with respect to the formation, stabilization, and dynamical properties? This dissertation addresses these questions mainly from a modeling perspective, but also with some experimental work as well. The first discussion addresses a special class of zeolites: pure-silica zeolites. Experimental enthalpy of formation data are combined with molecular modeling to address zeolitic metastability. Molecular modeling is used to calculate internal surface areas, and a linear relationship between formation enthalpy and internal surface areas is clearly established, producing an internal surface energy of approximately 93 mJ/m2. Nitrate bearing sodalite and cancrinite have formed under the caustic chemical conditions of some nuclear waste processing centers in the United States. These phases have fouled expensive process equipment, and are the primary constituents of the resilient heels in the bottom of storage tanks. Molecular modeling, including molecular mechanics, molecular dynamics, and density functional theory, is used to simulate these materials with respect to structure and dynamical properties. Some new, very interesting results are extracted from the simulation of anhydrous Na6[Si6Al 6O24] sodalite---most importantly, the identification of two distinct oxygen sites (rather than one), and formation of a new supercell. New calorimetric measurements of enthalpy are used to examine the energetics of the hydrosodalite family of zeolites---specifically, formation enthalpies and hydration energies. Finally, force-field computational methods begin the examination of water in terms of energetics, structure, and radionuclide containment and diffusion.

  16. Synthesis, Microstructure and Properties of Metallic Materials with Nanoscale Growth Twins

    DTIC Science & Technology

    2006-11-01

    2004: Wu et al, 2005) and austenitic stainless steels (Zhang et al, 2004a; Zhang et al, 2005). However, processing routes to produce nanoscale...mechanical properties (hardness, yield strength, tensile strength) of bulk austenitic stainless steel (304, 310, 316 and 330) are quite similar and...model developed for the formation of growth twins in sputter- deposited austenitic stainless steel thin films (Zhang et al, 2004b). The model predicts

  17. Recent advances in understanding secondary organic aerosol: Implications for global climate forcing

    NASA Astrophysics Data System (ADS)

    Shrivastava, Manish; Cappa, Christopher D.; Fan, Jiwen; Goldstein, Allen H.; Guenther, Alex B.; Jimenez, Jose L.; Kuang, Chongai; Laskin, Alexander; Martin, Scot T.; Ng, Nga Lee; Petaja, Tuukka; Pierce, Jeffrey R.; Rasch, Philip J.; Roldin, Pontus; Seinfeld, John H.; Shilling, John; Smith, James N.; Thornton, Joel A.; Volkamer, Rainer; Wang, Jian; Worsnop, Douglas R.; Zaveri, Rahul A.; Zelenyuk, Alla; Zhang, Qi

    2017-06-01

    Anthropogenic emissions and land use changes have modified atmospheric aerosol concentrations and size distributions over time. Understanding preindustrial conditions and changes in organic aerosol due to anthropogenic activities is important because these features (1) influence estimates of aerosol radiative forcing and (2) can confound estimates of the historical response of climate to increases in greenhouse gases. Secondary organic aerosol (SOA), formed in the atmosphere by oxidation of organic gases, represents a major fraction of global submicron-sized atmospheric organic aerosol. Over the past decade, significant advances in understanding SOA properties and formation mechanisms have occurred through measurements, yet current climate models typically do not comprehensively include all important processes. This review summarizes some of the important developments during the past decade in understanding SOA formation. We highlight the importance of some processes that influence the growth of SOA particles to sizes relevant for clouds and radiative forcing, including formation of extremely low volatility organics in the gas phase, acid-catalyzed multiphase chemistry of isoprene epoxydiols, particle-phase oligomerization, and physical properties such as volatility and viscosity. Several SOA processes highlighted in this review are complex and interdependent and have nonlinear effects on the properties, formation, and evolution of SOA. Current global models neglect this complexity and nonlinearity and thus are less likely to accurately predict the climate forcing of SOA and project future climate sensitivity to greenhouse gases. Efforts are also needed to rank the most influential processes and nonlinear process-related interactions, so that these processes can be accurately represented in atmospheric chemistry-climate models.

  18. Sensitivity of airborne geophysical data to sublacustrine and near-surface permafrost thaw

    USGS Publications Warehouse

    Minsley, Burke J.; Wellman, Tristan; Walvoord, Michelle Ann; Revil, Andre

    2014-01-01

    A coupled hydrogeophysical forward and inverse modeling approach is developed to illustrate the ability of frequency-domain airborne electromagnetic (AEM) data to characterize subsurface physical properties associated with sublacustrine permafrost thaw during lake-talik formation. Numerical modeling scenarios are evaluated that consider non-isothermal hydrologic responses to variable forcing from different lake depths and for different hydrologic gradients. A novel physical property relationship connects the dynamic distribution of electrical resistivity to ice saturation and temperature outputs from the SUTRA groundwater simulator with freeze–thaw physics. The influence of lithology on electrical resistivity is controlled by a surface conduction term in the physical property relationship. Resistivity models, which reflect changes in subsurface conditions, are used as inputs to simulate AEM data in order to explore the sensitivity of geophysical observations to permafrost thaw. Simulations of sublacustrine talik formation over a 1000-year period are modeled after conditions found in the Yukon Flats, Alaska. Synthetic AEM data are analyzed with a Bayesian Markov chain Monte Carlo algorithm that quantifies geophysical parameter uncertainty and resolution. Major lithological and permafrost features are well resolved by AEM data in the examples considered. The subtle geometry of partial ice saturation beneath lakes during talik formation cannot be resolved using AEM data, but the gross characteristics of sub-lake resistivity models reflect bulk changes in ice content and can identify the presence of a talik. A final synthetic example compares AEM and ground-based electromagnetic responses for their ability to resolve shallow permafrost and thaw features in the upper 1–2 m below ground outside the lake margin.

  19. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Singh, Sadanand; Pablo, Juan J. de

    Recently, novel organic glassy materials that exhibit remarkable stability have been prepared by vapor deposition. The thermophysical properties of these new ''stable'' glasses are equivalent to those that common glasses would exhibit after aging over periods lasting thousands of years. The origin of such enhanced stability has been elusive; in the absence of detailed models, past studies have discussed the formation of new polyamorphs or that of nanocrystals to explain the observed behavior. In this work, an atomistic molecular model of trehalose, a disaccharide of glucose, is used to examine the properties of vapor-deposited stable glasses. Consistent with experiment, themore » model predicts the formation of stable glasses having a higher density, a lower enthalpy, and higher onset temperatures than those of the corresponding ''ordinary'' glass formed by quenching the bulk liquid. Simulations reveal that newly formed layers of the growing vapor-deposited film exhibit greater mobility than the remainder of the material, thereby enabling a reorganization of the film as it is grown. They also reveal that ''stable'' glasses exhibit a distinct layered structure in the direction normal to the substrate that is responsible for their unusual properties.« less

  20. 3D Sedimentological and geophysical studies of clastic reservoir analogs: Facies architecture, reservoir properties, and flow behavior within delta front facies elements of the Cretaceous Wall Creek Member, Frontier Formation, Wyoming

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Christopher D. White

    2009-12-21

    Significant volumes of oil and gas occur in reservoirs formed by ancient river deltas. This has implications for the spatial distribution of rock types and the variation of transport properties. A between mudstones and sandstones may form baffles that influence productivity and recovery efficiency. Diagenetic processes such as compaction, dissolution, and cementation can also alter flow properties. A better understanding of these properties and improved methods will allow improved reservoir development planning and increased recovery of oil and gas from deltaic reservoirs. Surface exposures of ancient deltaic rocks provide a high-resolution view of variability. Insights gleaned from these exposures canmore » be used to model analogous reservoirs, for which data is sparser. The Frontier Formation in central Wyoming provides an opportunity for high-resolution models. The same rocks exposed in the Tisdale anticline are productive in nearby oil fields. Kilometers of exposure are accessible, and bedding-plane exposures allow use of high-resolution ground-penetrating radar. This study combined geologic interpretations, maps, vertical sections, core data, and ground-penetrating radar to construct geostatistical and flow models. Strata-conforming grids were use to reproduce the observed geometries. A new Bayesian method integrates outcrop, core, and radar amplitude and phase data. The proposed method propagates measurement uncertainty and yields an ensemble of plausible models for calcite concretions. These concretions affect flow significantly. Models which integrate more have different flow responses from simpler models, as demonstrated an exhaustive two-dimensional reference image and in three dimensions. This method is simple to implement within widely available geostatistics packages. Significant volumes of oil and gas occur in reservoirs that are inferred to have been formed by ancient river deltas. This geologic setting has implications for the spatial distribution of rock types (\\Eg sandstones and mudstones) and the variation of transport properties (\\Eg permeability and porosity) within bodies of a particular rock type. Both basin-wide processes such as sea-level change and the autocyclicity of deltaic processes commonly cause deltaic reservoirs to have large variability in rock properties; in particular, alternations between mudstones and sandstones may form baffles and trends in rock body permeability can influence productivity and recovery efficiency. In addition, diagenetic processes such as compaction, dissolution, and cementation can alter the spatial pattern of flow properties. A better understanding of these properties, and improved methods to model the properties and their effects, will allow improved reservoir development planning and increased recovery of oil and gas from deltaic reservoirs. Surface exposures of ancient deltaic rocks provide a high resolution, low uncertainty view of subsurface variability. Patterns and insights gleaned from these exposures can be used to model analogous reservoirs, for which data is much sparser. This approach is particularly attractive when reservoir formations are exposed at the surface. The Frontier Formation in central Wyoming provides an opportunity for high resolution characterization. The same rocks exposed in the vicinity of the Tisdale anticline are productive in nearby oil fields, including Salt Creek. Many kilometers of good-quality exposure are accessible, and the common bedding-plane exposures allow use of shallow-penetration, high-resolution electromagnetic methods known as ground-penetrating radar. This study combined geologic interpretations, maps, vertical sections, core data, and ground-penetrating radar to construct high-resolution geostatistical and flow models for the Wall Creek Member of the Frontier Formation. Stratal-conforming grids were use to reproduce the progradational and aggradational geometries observed in outcrop and radar data. A new, Bayesian method integrates outcrop--derived statistics, core observations of concretions, and radar amplitude and phase data. The proposed method consistently propagates measurement uncertainty through the model-building process, and yields an ensemble of plausible models for diagenetic calcite concretions. These concretions have a statistically significant on flow. Furthermore, neither geostatistical data from the outcrops nor geophysical data from radar is sufficient: models which integrate these data have significantly different flow responses. This was demonstrated both for an exhaustive two-dimensional reference image and in three dimensions, using flow simulations. This project wholly supported one PhD student and part of the education of an additional MS and PhD student. It helped to sponsor 6 refereed articles and 8 conference or similar presentations.« less

  1. The Galactic interstellar medium: foregrounds and star formation

    NASA Astrophysics Data System (ADS)

    Miville-Deschênes, Marc-Antoine

    2018-05-01

    This review presents briefly two aspects of Galactic interstellar medium science that seem relevant for studying EoR. First, we give some statistical properties of the Galactic foreground emission in the diffuse regions of the sky. The properties of the emission observed in projection on the plane of the sky are then related to how matter is organised along the line of sight. The diffuse atomic gas is multi-phase, with dense filamentary structures occupying only about 1% of the volume but contributing to about 50% of the emission. The second part of the review presents aspect of structure formation in the Galactic interstellar medium that could be relevant for the subgrid physics used to model the formation of the first stars.

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

    NASA Astrophysics Data System (ADS)

    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 model fails to match the present SFR in M31 disk by predicting too much SFR in the outer disk. We attribute this disagreement to the fact that M31 has been perturbed recently by a violent encounter. The observed SFR profile of M31 caused by this encounter does not seem to follow any form of the K-S law. On the other hand, the stellar metallicity distribution functions (MDFs) measured along the disk of M31 indicate the integrated star formation during the whole disk history and should not be affected by recent events. Our model reproduces rather well those distributions from 6 kpc to 21 kpc (except the region at 16 kpc). Basically, the disks of MW and M31 are formed "inside-out" with similar infall timescale. If M31 is closer to a typical disk galaxy, it would be the best that the researches on the models of this disk galaxy are carried out within the cosmological framework. Simple models, like the one adopted in this thesis, could be used to describe the quiescent galaxy, like the MW. Secondly, the similar model is applied to investigate the formation history of M33 disk. We calculate the radial profiles of gas surface density and SFR surface density, gas fraction, abundances, the surface brightness of FUV and K bands, FUV-K color gradient and so on. All those properties are compared with observations if available. Two different infall histories, namely collapse model and accretion model, are adopted respectively. The effects of free parameters (infall timescale, infall delay time and efficiency of outflow) on the model results are discussed in detail. It is found that the disk of M33 can not be formed by fast collapse process. Observations show that M33 is much smaller and less massive than MW, but has larger gas fraction and lower metallicity. This implies that it should be formed by slow accretion process and is consistent with the slow accretion model. We study the abundance gradients of different elements in M33 disk and find that outflow should play an important role in the evolution of abundance gradients. The present abundances will be much higher than the observation if without outflow. When the disk undergoes an outflow with a similar strength to the local SFR, the abundance within the radius of 6 kpc will be reduced dramatically, but no noticeable change occurs in outer regions, resulting in a flatter abundance gradient. This is consistent with the observed features. Our model predicts a slightly flatter FUV-K color gradient when the long infall timescale and proper outflow are adopted. Considering the uncertainty of the extinction correction, the results are acceptable.

  3. A model for thin layer formation by delayed particle settling at sharp density gradients

    NASA Astrophysics Data System (ADS)

    Prairie, Jennifer C.; White, Brian L.

    2017-02-01

    Thin layers - regions where plankton or particles accumulate vertically on scales of a few meters or less - are common in coastal waters, and have important implications for both trophic dynamics and carbon cycling. These features can form by a variety of biological and physical mechanisms, including localized growth, shear-thinning, and directed swimming. An additional mechanism may result in the formation of thin layers of marine aggregates, which have been shown to decrease their settling velocity when passing through sharp density gradients, a behavior termed delayed settling. Here, we apply a simple vertical advection-diffusion model to predict the properties of aggregate thin layers formed by this process. We assume a constant vertical flux of particles from the surface, which is parameterized by observations from laboratory experiments with marine aggregates. The formation, maintenance, and shape of the layers are described in relation to non-dimensional numbers that depend on environmental conditions and particle settling properties. In particular, model results demonstrate layer intensity and sharpness both increase with higher Péclet number (Pe), that is, under conditions with weaker mixing relative to layer formation. Similarly, more intense and sharper layers are found when the delayed settling behavior of aggregates is characterized by a lower velocity minimum. The model also predicts layers that are vertically asymmetric and highly "peaky" when compared with a Gaussian distribution, features often seen in thin layers in natural environments. Lastly, by comparing model predictions with observations of thin layers in the field, we are able to gain some insight into the applicability of delayed settling as a thin layer formation mechanism in different environmental conditions.

  4. Optimizing accuracy of determinations of CO₂ storage capacity and permanence, and designing more efficient storage operations: An example from the Rock Springs Uplift, Wyoming

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bentley, Ramsey; Dahl, Shanna; Deiss, Allory

    At a potential injection site on the Rock Springs Uplift in southwest Wyoming, an investigation of confining layers was undertaken to develop and test methodology, identify key data requirements, assess previous injection scenarios relative to detailed confining layer properties, and integrate all findings in order to reduce the uncertainty of CO₂ storage permanence. The assurance of safe and permanent storage of CO₂ at a storage site involves a detailed evaluation of the confining layers. Four suites of field data were recognized as crucial for determining storage permanence relative to the confining layers; seismic, core and petrophysical data from a wellbore,more » formation fluid samples, and in-situ formation tests. Core and petrophysical data were used to create a vertical heterogenic property model that defined porosity, permeability, displacement pressure, geomechanical strengths, and diagenetic history. These analyses identified four primary confining layers and multiple redundant confining layers. In-situ formation tests were used to evaluate fracture gradients, regional stress fields, baseline microseismic data, step-rate injection tests, and formation perforation responses. Seismic attributes, correlated with the vertical heterogenic property models, were calculated and used to create a 3-D volume model over the entire site. The seismic data provided the vehicle to transform the vertical heterogenic property model into a horizontal heterogenic property model, which allowed for the evaluation of confining layers across the entire study site without risking additional wellbore perforations. Lastly, formation fluids were collected and analyzed for geochemical and isotopic compositions from stacked reservoir systems. These data further tested primary confining layers, by evaluating the evidence of mixing between target reservoirs (mixing would imply an existing breach of primary confining layers). All data were propagated into a dynamic, heterogenic geologic property model used to test various injection scenarios. These tests showed that the study site could retain 25MT of injected CO₂ over an injection lifespan of 50 years. Major findings indicate that active reservoir pressure management through reservoir fluid production (minimum of three production wells) greatly reduces the risk of breaching a confining layer. To address brine production, a well completion and engineering study was incorporated to reduce the risks of scaling and erosion during injection and production. These scenarios suggest that the dolostone within the Mississippian Madison Limestone is the site’s best injection/production target by two orders of magnitude, and that commercial well equipment would meet all performance requirements. This confirms that there are multiple confining layers in southwest Wyoming that are capable of retaining commercial volumes of CO₃, making Wyoming’s Paleozoic reservoirs ideal storage targets for low-risk injection and long-term storage. This study also indicates that column height retention calculations are reduced in a CO₂-brine system relative to a hydrocarbon-brine system, which is an observation that affects all potential CCS sites. Likewise, this study identified the impacts that downhole testing imparts on reservoir fluids, and the likelihood of introducing uncertainty in baseline site assumptions and later modeling.« less

  5. Carbon solids in oxygen-deficient explosives (LA-UR-13-21151)

    NASA Astrophysics Data System (ADS)

    Peery, Travis

    2013-06-01

    The phase behavior of excess carbon in oxygen-deficient explosives has a significant effect on detonation properties and product equations of state. Mixtures of fuel oil in ammonium nitrate (ANFO) above a stoichiometric ratio demonstrate that even small amounts of graphite, on the order of 5% by mole fraction, can substantially alter the Chapman-Jouget (CJ) state properties, a central ingredient in modeling the products equation of state. Similar effects can be seen for Composition B, which borders the carbon phase boundary between graphite and diamond. Nano-diamond formation adds complexity to the product modeling because of surface adsorption effects. I will discuss these carbon phase issues in our equation of state modeling of detonation products, including our statistical mechanics description of carbon clustering and surface chemistry to properly treat solid carbon formation. This work is supported by the Advanced Simulation and Computing Program, under the NNSA.

  6. Structure-topology-property correlations of sodium phosphosilicate glasses.

    PubMed

    Hermansen, Christian; Guo, Xiaoju; Youngman, Randall E; Mauro, John C; Smedskjaer, Morten M; Yue, Yuanzheng

    2015-08-14

    In this work, we investigate the correlations among structure, topology, and properties in a series of sodium phosphosilicate glasses with [SiO2]/[SiO2 + P2O5] ranging from 0 to 1. The network structure is characterized by (29)Si and (31)P magic-angle spinning nuclear magnetic resonance and Raman spectroscopy. The results show the formation of six-fold coordinated silicon species in phosphorous-rich glasses. Based on the structural data, we propose a formation mechanism of the six-fold coordinated silicon, which is used to develop a quantitative structural model for predicting the speciation of the network forming units as a function of chemical composition. The structural model is then used to establish a temperature-dependent constraint description of phosphosilicate glass topology that enables prediction of glass transition temperature, liquid fragility, and indentation hardness. The topological constraint model provides insight into structural origin of the mixed network former effect in phosphosilicate glasses.

  7. Some observational tests of a minimal galaxy formation model

    NASA Astrophysics Data System (ADS)

    Cohn, J. D.

    2017-04-01

    Dark matter simulations can serve as a basis for creating galaxy histories via the galaxy-dark matter connection. Here, one such model by Becker is implemented with several variations on three different dark matter simulations. Stellar mass and star formation rates are assigned to all simulation subhaloes at all times, using subhalo mass gain to determine stellar mass gain. The observational properties of the resulting galaxy distributions are compared to each other and observations for a range of redshifts from 0 to 2. Although many of the galaxy distributions seem reasonable, there are noticeable differences as simulations, subhalo mass gain definitions or subhalo mass definitions are altered, suggesting that the model should change as these properties are varied. Agreement with observations may improve by including redshift dependence in the added-by-hand random contribution to star formation rate. There appears to be an excess of faint quiescent galaxies as well (perhaps due in part to differing definitions of quiescence). The ensemble of galaxy formation histories for these models tend to have more scatter around their average histories (for a fixed final stellar mass) than the two more predictive and elaborate semi-analytic models of Guo et al. and Henriques et al., and require more basis fluctuations (using principal component analysis) to capture 90 per cent of the scatter around their average histories. The codes to plot model predictions (in some cases alongside observational data) are publicly available to test other mock catalogues at https://github.com/jdcphysics/validation/. Information on how to use these codes is in Appendix A.

  8. The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys

    DOE PAGES

    Li, Boyan; Zhang, Lei; Li, Chengliang; ...

    2018-04-18

    The aging- or radiation-induced hardening of Cu/Mn/Ni precipitates in Fe alloys is one of property degradation mechanisms in structural materials in nuclear reactors. Experiments show that aging or radiation leads the formation of Cu-rich precipitates, and the addition of Mn or Ni elements enhances the precipitation kinetics. In this study, the phase-field model coupled with the constrained string method have been applied to investigate the thermodynamic properties of critical nuclei such as the minimum energy path of Cu/Mn/Ni precipitation in Fe-Cu-Mn and Fe-Cu-Ni ternary alloys. The chemical free energies used in the model are taken from CALPHAD. The simulation resultsmore » show that the formation of Cu/Mn/Ni clusters needs to overcome an energy barrier, and the precipitate has a Core-Shell structure. The thermodynamic properties of the critical nucleus are influenced by temperature and Cu/Mn/Ni overall concentrations, which are in accordance with the simulation results as well as the experimental observations.« less

  9. The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Boyan; Zhang, Lei; Li, Chengliang

    The aging- or radiation-induced hardening of Cu/Mn/Ni precipitates in Fe alloys is one of property degradation mechanisms in structural materials in nuclear reactors. Experiments show that aging or radiation leads the formation of Cu-rich precipitates, and the addition of Mn or Ni elements enhances the precipitation kinetics. In this study, the phase-field model coupled with the constrained string method have been applied to investigate the thermodynamic properties of critical nuclei such as the minimum energy path of Cu/Mn/Ni precipitation in Fe-Cu-Mn and Fe-Cu-Ni ternary alloys. The chemical free energies used in the model are taken from CALPHAD. The simulation resultsmore » show that the formation of Cu/Mn/Ni clusters needs to overcome an energy barrier, and the precipitate has a Core-Shell structure. The thermodynamic properties of the critical nucleus are influenced by temperature and Cu/Mn/Ni overall concentrations, which are in accordance with the simulation results as well as the experimental observations.« less

  10. Pattern formation in three-dimensional reaction-diffusion systems

    NASA Astrophysics Data System (ADS)

    Callahan, T. K.; Knobloch, E.

    1999-08-01

    Existing group theoretic analysis of pattern formation in three dimensions [T.K. Callahan, E. Knobloch, Symmetry-breaking bifurcations on cubic lattices, Nonlinearity 10 (1997) 1179-1216] is used to make specific predictions about the formation of three-dimensional patterns in two models of the Turing instability, the Brusselator model and the Lengyel-Epstein model. Spatially periodic patterns having the periodicity of the simple cubic (SC), face-centered cubic (FCC) or body-centered cubic (BCC) lattices are considered. An efficient center manifold reduction is described and used to identify parameter regimes permitting stable lamellæ, SC, FCC, double-diamond, hexagonal prism, BCC and BCCI states. Both models possess a special wavenumber k* at which the normal form coefficients take on fixed model-independent ratios and both are described by identical bifurcation diagrams. This property is generic for two-species chemical reaction-diffusion models with a single activator and inhibitor.

  11. Towards Characterization, Modeling, and Uncertainty Quantification in Multi-scale Mechanics of Oragnic-rich Shales

    NASA Astrophysics Data System (ADS)

    Abedi, S.; Mashhadian, M.; Noshadravan, A.

    2015-12-01

    Increasing the efficiency and sustainability in operation of hydrocarbon recovery from organic-rich shales requires a fundamental understanding of chemomechanical properties of organic-rich shales. This understanding is manifested in form of physics-bases predictive models capable of capturing highly heterogeneous and multi-scale structure of organic-rich shale materials. In this work we present a framework of experimental characterization, micromechanical modeling, and uncertainty quantification that spans from nanoscale to macroscale. Application of experiments such as coupled grid nano-indentation and energy dispersive x-ray spectroscopy and micromechanical modeling attributing the role of organic maturity to the texture of the material, allow us to identify unique clay mechanical properties among different samples that are independent of maturity of shale formations and total organic content. The results can then be used to inform the physically-based multiscale model for organic rich shales consisting of three levels that spans from the scale of elementary building blocks (e.g. clay minerals in clay-dominated formations) of organic rich shales to the scale of the macroscopic inorganic/organic hard/soft inclusion composite. Although this approach is powerful in capturing the effective properties of organic-rich shale in an average sense, it does not account for the uncertainty in compositional and mechanical model parameters. Thus, we take this model one step forward by systematically incorporating the main sources of uncertainty in modeling multiscale behavior of organic-rich shales. In particular we account for the uncertainty in main model parameters at different scales such as porosity, elastic properties and mineralogy mass percent. To that end, we use Maximum Entropy Principle and random matrix theory to construct probabilistic descriptions of model inputs based on available information. The Monte Carlo simulation is then carried out to propagate the uncertainty and consequently construct probabilistic descriptions of properties at multiple length-scales. The combination of experimental characterization and stochastic multi-scale modeling presented in this work improves the robustness in the prediction of essential subsurface parameters in engineering scale.

  12. Exploring galaxy evolution with latent space walks

    NASA Astrophysics Data System (ADS)

    Schawinski, Kevin; Turp, Dennis; Zhang, Ce

    2018-01-01

    We present a new approach using artificial intelligence to perform data-driven forward models of astrophysical phenomena. We describe how a variational autoencoder can be used to encode galaxies to latent space, independently manipulate properties such as the specific star formation rate, and return it to real space. Such transformations can be used for forward modeling phenomena using data as the only constraints. We demonstrate the utility of this approach using the question of the quenching of star formation in galaxies.

  13. Physiological and environmental control of yeast prions

    PubMed Central

    Chernova, Tatiana A.; Wilkinson, Keith D.; Chernoff, Yury O.

    2014-01-01

    Prions are self-perpetuating protein isoforms that cause fatal and incurable neurodegenerative disease in mammals. Recent evidence indicates that a majority of human proteins involved in amyloid and neural inclusion disorders possess at least some prion properties. In lower eukaryotes, such as yeast, prions act as epigenetic elements, which increase phenotypic diversity by altering a range of cellular processes. While some yeast prions are clearly pathogenic, it is also postulated that prion formation could be beneficial in variable environmental conditions. Yeast and mammalian prions have similar molecular properties. Crucial cellular factors and conditions influencing prion formation and propagation were uncovered in the yeast models. Stress-related chaperones, protein quality control deposits, degradation pathways and cytoskeletal networks control prion formation and propagation in yeast. Environmental stresses trigger prion formation and loss, supposedly acting via influencing intracellular concentrations of the prion-inducing proteins, and/or by localizing prionogenic proteins to the prion induction sites via heterologous ancillary helpers. Physiological and environmental modulation of yeast prions points to new opportunities for pharmacological intervention and/or prophylactic measures targeting general cellular systems rather than the properties of individual amyloids and prions. PMID:24236638

  14. A thermodynamical model for stress-fiber organization in contractile cells.

    PubMed

    Foucard, Louis; Vernerey, Franck J

    2012-01-02

    Cell mechanical adaptivity to external stimuli is vital to many of its biological functions. A critical question is therefore to understand the formation and organization of the stress fibers from which emerge the cell's mechanical properties. By accounting for the mechanical aspects and the viscoelastic behavior of stress fibers, we here propose a thermodynamic model to predict the formation and orientation of stress fibers in contractile cells subjected to constant or cyclic stretch and different substrate stiffness. Our results demonstrate that the stress fibers viscoelastic behavior plays a crucial role in their formation and organization and shows good consistency with various experiments.

  15. Formation and electrical transport properties of pentacene nanorod crystal.

    PubMed

    Akai-Kasaya, M; Ohmori, C; Kawanishi, T; Nashiki, M; Saito, A; Aono, M; Kuwahara, Y

    2010-09-10

    The monophasic formation of an uncharted pentacene crystal, the pentacene nanorod, has been investigated. The restricted formation of the pentacene nanorod on a bare mica surface reveals a peculiar surface catalytic crystal growth mode of the pentacene. We demonstrated the charge transport measurements through a single pentacene nanorod and analyzed the data using a periodic hopping conduction model. The results revealed that the pentacene nanorod has a periodic conductive node within their one-dimensional crystal.

  16. Hybrid Equation/Agent-Based Model of Ischemia-Induced Hyperemia and Pressure Ulcer Formation Predicts Greater Propensity to Ulcerate in Subjects with Spinal Cord Injury

    PubMed Central

    Solovyev, Alexey; Mi, Qi; Tzen, Yi-Ting; Brienza, David; Vodovotz, Yoram

    2013-01-01

    Pressure ulcers are costly and life-threatening complications for people with spinal cord injury (SCI). People with SCI also exhibit differential blood flow properties in non-ulcerated skin. We hypothesized that a computer simulation of the pressure ulcer formation process, informed by data regarding skin blood flow and reactive hyperemia in response to pressure, could provide insights into the pathogenesis and effective treatment of post-SCI pressure ulcers. Agent-Based Models (ABM) are useful in settings such as pressure ulcers, in which spatial realism is important. Ordinary Differential Equation-based (ODE) models are useful when modeling physiological phenomena such as reactive hyperemia. Accordingly, we constructed a hybrid model that combines ODEs related to blood flow along with an ABM of skin injury, inflammation, and ulcer formation. The relationship between pressure and the course of ulcer formation, as well as several other important characteristic patterns of pressure ulcer formation, was demonstrated in this model. The ODE portion of this model was calibrated to data related to blood flow following experimental pressure responses in non-injured human subjects or to data from people with SCI. This model predicted a higher propensity to form ulcers in response to pressure in people with SCI vs. non-injured control subjects, and thus may serve as novel diagnostic platform for post-SCI ulcer formation. PMID:23696726

  17. The Role of Electrical Anisotropy in Modeling and Interpreting Controlled-Source Electromagnetic Responses for Hydraulic Fracture Monitoring

    NASA Astrophysics Data System (ADS)

    Trevino, S., III; Hickey, M. S.; Everett, M. E.

    2017-12-01

    Controlled-Source Electromagnetics (CSEM) can be used to monitor the movement and extent of injection fluid during a hydraulic fracture. The response of the fluid to energization by a CSEM source is dependent upon the electrical conductivity difference between the fluid and background geological formation. An important property that must be taken into account when modeling and interpreting CSEM responses is that electrical conductivity may be anisotropic. We study the effect of electrical anisotropy in both the background formation and the fluid-injection zone. First, various properties of the background formation can affect anisotropy including variations in grain size, composition and bedding-plane orientation. In certain formations, such as shale, the horizontal component of the conductivity can be more than an order of magnitude larger than the vertical component. We study this effect by computing differences in surface CSEM responses using the analytic 1-D anisotropic primary solution of a horizontal electric dipole positioned at the surface. Second, during hydraulic fracturing, the injected fluid can create new fractures and infill existing natural fractures. To include the explicit fracture geometry in modeling, a large increase in the number of nodes and computational time is required which may not be feasible. An alternative is to instead model the large-scale fracture geometry as a uniform slab with an appropriate bulk conductivity. Micro-scale fracture geometry may cause preferential fluid propagation in a single direction or plane which can be represented by electrical anisotropy of the slab. To study such effects of bulk anisotropy on CSEM responses we present results from multiple scenarios of surface to surface hydraulic fracture monitoring using 3-D finite element modeling. The model uses Coulomb-gauged potentials to solve Maxwell's equations in the frequency domain and we have updated the code to allow a triaxial electrical conductivity tensor to be specified. By allowing for formation and target electrical anisotropy these modeling results contribute to a better understanding and faster interpretation of field data.

  18. The E-MOSAICS project: simulating the formation and co-evolution of galaxies and their star cluster populations

    NASA Astrophysics Data System (ADS)

    Pfeffer, Joel; Kruijssen, J. M. Diederik; Crain, Robert A.; Bastian, Nate

    2018-04-01

    We introduce the MOdelling Star cluster population Assembly In Cosmological Simulations within EAGLE (E-MOSAICS) project. E-MOSAICS incorporates models describing the formation, evolution, and disruption of star clusters into the EAGLE galaxy formation simulations, enabling the examination of the co-evolution of star clusters and their host galaxies in a fully cosmological context. A fraction of the star formation rate of dense gas is assumed to yield a cluster population; this fraction and the population's initial properties are governed by the physical properties of the natal gas. The subsequent evolution and disruption of the entire cluster population are followed accounting for two-body relaxation, stellar evolution, and gravitational shocks induced by the local tidal field. This introductory paper presents a detailed description of the model and initial results from a suite of 10 simulations of ˜L⋆ galaxies with disc-like morphologies at z = 0. The simulations broadly reproduce key observed characteristics of young star clusters and globular clusters (GCs), without invoking separate formation mechanisms for each population. The simulated GCs are the surviving population of massive clusters formed at early epochs (z ≳ 1-2), when the characteristic pressures and surface densities of star-forming gas were significantly higher than observed in local galaxies. We examine the influence of the star formation and assembly histories of galaxies on their cluster populations, finding that (at similar present-day mass) earlier-forming galaxies foster a more massive and disruption-resilient cluster population, while galaxies with late mergers are capable of forming massive clusters even at late cosmic epochs. We find that the phenomenological treatment of interstellar gas in EAGLE precludes the accurate modelling of cluster disruption in low-density environments, but infer that simulations incorporating an explicitly modelled cold interstellar gas phase will overcome this shortcoming.

  19. Transient cnoidal waves explain the formation and geometry of fault damage zones

    NASA Astrophysics Data System (ADS)

    Veveakis, Manolis; Schrank, Christoph

    2017-04-01

    The spatial footprint of a brittle fault is usually dominated by a wide area of deformation bands and fractures surrounding a narrow, highly deformed fault core. This diffuse damage zone relates to the deformation history of a fault, including its seismicity, and has a significant impact on flow and mechanical properties of faulted rock. Here, we propose a new mechanical model for damage-zone formation. It builds on a novel mathematical theory postulating fundamental material instabilities in solids with internal mass transfer associated with volumetric deformation due to elastoviscoplastic p-waves termed cnoidal waves. We show that transient cnoidal waves triggered by fault slip events can explain the characteristic distribution and extent of deformation bands and fractures within natural fault damage zones. Our model suggests that an overpressure wave propagating away from the slipping fault and the material properties of the host rock control damage-zone geometry. Hence, cnoidal-wave theory may open a new chapter for predicting seismicity, material and geometrical properties as well as the location of brittle faults.

  20. Heating of the corona by magnetic singularities

    NASA Technical Reports Server (NTRS)

    Antiochos, Spiro K.

    1990-01-01

    Theoretical models of current-sheet formation and magnetic heating in the solar corona are examined analytically. The role of photospheric connectivity in determining the topology of the coronal magnetic field and its equilibrium properties is explored; nonequilibrium models of current-sheet formation (assuming an initially well connected field) are described; and particular attention is given to models with discontinuous connectivity, where magnetic singularities arise from smooth footpoint motions. It is shown that current sheets arise from connectivities in which the photospheric flux structure is complex, with three or more polarity regions and a magnetic null point within the corona.

  1. The Lyα forest and the Cosmic Web

    NASA Astrophysics Data System (ADS)

    Meiksin, Avery

    2016-10-01

    The accurate description of the properties of the Lyman-α forest is a spectacular success of the Cold Dark Matter theory of cosmological structure formation. After a brief review of early models, it is shown how numerical simulations have demonstrated the Lyman-α forest emerges from the cosmic web in the quasi-linear regime of overdensity. The quasi-linear nature of the structures allows accurate modeling, providing constraints on cosmological models over a unique range of scales and enabling the Lyman-α forest to serve as a bridge to the more complex problem of galaxy formation.

  2. COSMIC REIONIZATION ON COMPUTERS: NUMERICAL AND PHYSICAL CONVERGENCE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gnedin, Nickolay Y., E-mail: gnedin@fnal.gov; Kavli Institute for Cosmological Physics, University of Chicago, Chicago, IL 60637; Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637

    In this paper I show that simulations of reionization performed under the Cosmic Reionization On Computers project do converge in space and mass, albeit rather slowly. A fully converged solution (for a given star formation and feedback model) can be determined at a level of precision of about 20%, but such a solution is useless in practice, since achieving it in production-grade simulations would require a large set of runs at various mass and spatial resolutions, and computational resources for such an undertaking are not yet readily available. In order to make progress in the interim, I introduce a weakmore » convergence correction factor in the star formation recipe, which allows one to approximate the fully converged solution with finite-resolution simulations. The accuracy of weakly converged simulations approaches a comparable, ∼20% level of precision for star formation histories of individual galactic halos and other galactic properties that are directly related to star formation rates, such as stellar masses and metallicities. Yet other properties of model galaxies, for example, their H i masses, are recovered in the weakly converged runs only within a factor of 2.« less

  3. Alternative mechanisms alter the emergent properties of self-organization in mussel beds

    PubMed Central

    Liu, Quan-Xing; Weerman, Ellen J.; Herman, Peter M. J.; Olff, Han; van de Koppel, Johan

    2012-01-01

    Theoretical models predict that spatial self-organization can have important, unexpected implications by affecting the functioning of ecosystems in terms of resilience and productivity. Whether and how these emergent effects depend on specific formulations of the underlying mechanisms are questions that are often ignored. Here, we compare two alternative models of regular spatial pattern formation in mussel beds that have different mechanistic descriptions of the facilitative interactions between mussels. The first mechanism involves a reduced mussel loss rate at high density owing to mutual protection between the mussels, which is the basis of prior studies on the pattern formation in mussels. The second mechanism assumes, based on novel experimental evidence, that mussels feed more efficiently on top of mussel-generated hummocks. Model simulations point out that the second mechanism produces very similar types of spatial patterns in mussel beds. Yet the mechanisms predict a strikingly contrasting effect of these spatial patterns on ecosystem functioning, in terms of productivity and resilience. In the first model, where high mussel densities reduce mussel loss rates, patterns are predicted to strongly increase productivity and decrease the recovery time of the bed following a disturbance. When pattern formation is generated by increased feeding efficiency on hummocks, only minor emergent effects of pattern formation on ecosystem functioning are predicted. Our results provide a warning against predictions of the implications and emergent properties of spatial self-organization, when the mechanisms that underlie self-organization are incompletely understood and not based on the experimental study. PMID:22418256

  4. Eos modeling and reservoir simulation study of bakken gas injection improved oil recovery in the elm coulee field, Montana

    NASA Astrophysics Data System (ADS)

    Pu, Wanli

    The Bakken Formation in the Williston Basin is one of the most productive liquid-rich unconventional plays. The Bakken Formation is divided into three members, and the Middle Bakken Member is the primary target for horizontal wellbore landing and hydraulic fracturing because of its better rock properties. Even with this new technology, the primary recovery factor is believed to be only around 10%. This study is to evaluate various gas injection EOR methods to try to improve on that low recovery factor of 10%. In this study, the Elm Coulee Oil Field in the Williston Basin was selected as the area of interest. Static reservoir models featuring the rock property heterogeneity of the Middle Bakken Member were built, and fluid property models were built based on Bakken reservoir fluid sample PVT data. By employing both compositional model simulation and Todd-Longstaff solvent model simulation methods, miscible gas injections were simulated and the simulations speculated that oil recovery increased by 10% to 20% of OOIP in 30 years. The compositional simulations yielded lower oil recovery compared to the solvent model simulations. Compared to the homogeneous model, the reservoir model featuring rock property heterogeneity in the vertical direction resulted in slightly better oil recovery, but with earlier CO2 break-through and larger CO2 production, suggesting that rock property heterogeneity is an important property for modeling because it has a big effect on the simulation results. Long hydraulic fractures shortened CO2 break-through time greatly and increased CO 2 production. Water-alternating-gas injection schemes and injection-alternating-shut-in schemes can provide more options for gas injection EOR projects, especially for gas production management. Compared to CO2 injection, separator gas injection yielded slightly better oil recovery, meaning separator gas could be a good candidate for gas injection EOR; lean gas generated the worst results. Reservoir simulations also indicate that original rock properties are the dominant factor for the ultimate oil recovery for both primary recovery and gas injection EOR. Because reservoir simulations provide critical inputs for project planning and management, more effort needs to be invested into reservoir modeling and simulation, including building enhanced geologic models, fracture characterization and modeling, and history matching with field data. Gas injection EOR projects are integrated projects, and the viability of a project also depends on different economic conditions.

  5. Obesity-related changes in bone structural and material properties in hyperphagic OLETF rats and protection by voluntary wheel running

    USDA-ARS?s Scientific Manuscript database

    We conducted a study to examine how the development of obesity and the associated insulin resistance affect bone structural and material properties, and bone formation and resorption markers in the Otsuka Long-Evans Tokushima Fatty (OLETF) rat model. This was a 36-week study of sedentary, hyperphag...

  6. Slush Fund: The Multiphase Nature of Oceanic Ices and Its Role in Shaping Europa's Icy Shell

    NASA Astrophysics Data System (ADS)

    Buffo, J.; Schmidt, B. E.; Huber, C.

    2017-12-01

    The role of Europa's ice shell in mediating ocean-surface interaction, constraining potential habitability of the underlying hydrosphere, and dictating the surface morphology of the moon is discussed extensively in the literature, yet the dynamics and characteristics of the shell itself remain largely unconstrained. Some of the largest unknowns arise from underrepresented physics and varying a priori assumptions built into the current ice shell models. Here we modify and apply a validated one-dimensional reactive transport model designed to simulate the formation and evolution of terrestrial sea ice to the Europa environment. The top-down freezing of sea ice due to conductive heat loss to the atmosphere is akin to the formation of the Jovian moon's outer ice shell, albeit on a different temporal and spatial scale. Nevertheless, the microscale physics that govern the formation of sea ice on Earth (heterogenous solidification leading to brine pockets and channels, multiphase reactive transport phenomena, gravity drainage) likely operate in a similar manner at the ice-ocean interface of Europa, dictating the thermal, chemical, and mechanical properties of the ice shell. Simulations of the European ice-ocean interface at different stages during the ice shell's evolution are interpolated to produce vertical profiles of temperature, salinity, solid fraction, and eutectic points throughout the entire shell. Additionally, the model is coupled to the equilibrium chemistry package FREZCHEM to investigate the impact a diverse range of putative European ocean chemistries has on ice shell properties. This method removes the need for a priori assumptions of impurity entrainment rates and ice shell properties, thus providing a first principles constraint on the stratigraphic characteristics of a simulated European ice shell. These insights have the potential to improve existing estimates for the onset of solid state convection, melt lens formation due to eutectic melting, ice shell thickness, and ocean-surface interaction rates. Moreover, this work aims to shed light on the important role microscale physics plays in determining the macroscale properties of icy worlds by highlighting and adapting successful multiphase reactive transport sea ice models utilized in large scale Earth systems science simulations.

  7. How the venetian blind percept emerges from the laminar cortical dynamics of 3D vision

    PubMed Central

    Cao, Yongqiang; Grossberg, Stephen

    2014-01-01

    The 3D LAMINART model of 3D vision and figure-ground perception is used to explain and simulate a key example of the Venetian blind effect and to show how it is related to other well-known perceptual phenomena such as Panum's limiting case. The model proposes how lateral geniculate nucleus (LGN) and hierarchically organized laminar circuits in cortical areas V1, V2, and V4 interact to control processes of 3D boundary formation and surface filling-in that simulate many properties of 3D vision percepts, notably consciously seen surface percepts, which are predicted to arise when filled-in surface representations are integrated into surface-shroud resonances between visual and parietal cortex. Interactions between layers 4, 3B, and 2/3 in V1 and V2 carry out stereopsis and 3D boundary formation. Both binocular and monocular information combine to form 3D boundary and surface representations. Surface contour surface-to-boundary feedback from V2 thin stripes to V2 pale stripes combines computationally complementary boundary and surface formation properties, leading to a single consistent percept, while also eliminating redundant 3D boundaries, and triggering figure-ground perception. False binocular boundary matches are eliminated by Gestalt grouping properties during boundary formation. In particular, a disparity filter, which helps to solve the Correspondence Problem by eliminating false matches, is predicted to be realized as part of the boundary grouping process in layer 2/3 of cortical area V2. The model has been used to simulate the consciously seen 3D surface percepts in 18 psychophysical experiments. These percepts include the Venetian blind effect, Panum's limiting case, contrast variations of dichoptic masking and the correspondence problem, the effect of interocular contrast differences on stereoacuity, stereopsis with polarity-reversed stereograms, da Vinci stereopsis, and perceptual closure. These model mechanisms have also simulated properties of 3D neon color spreading, binocular rivalry, 3D Necker cube, and many examples of 3D figure-ground separation. PMID:25309467

  8. How the venetian blind percept emerges from the laminar cortical dynamics of 3D vision.

    PubMed

    Cao, Yongqiang; Grossberg, Stephen

    2014-01-01

    The 3D LAMINART model of 3D vision and figure-ground perception is used to explain and simulate a key example of the Venetian blind effect and to show how it is related to other well-known perceptual phenomena such as Panum's limiting case. The model proposes how lateral geniculate nucleus (LGN) and hierarchically organized laminar circuits in cortical areas V1, V2, and V4 interact to control processes of 3D boundary formation and surface filling-in that simulate many properties of 3D vision percepts, notably consciously seen surface percepts, which are predicted to arise when filled-in surface representations are integrated into surface-shroud resonances between visual and parietal cortex. Interactions between layers 4, 3B, and 2/3 in V1 and V2 carry out stereopsis and 3D boundary formation. Both binocular and monocular information combine to form 3D boundary and surface representations. Surface contour surface-to-boundary feedback from V2 thin stripes to V2 pale stripes combines computationally complementary boundary and surface formation properties, leading to a single consistent percept, while also eliminating redundant 3D boundaries, and triggering figure-ground perception. False binocular boundary matches are eliminated by Gestalt grouping properties during boundary formation. In particular, a disparity filter, which helps to solve the Correspondence Problem by eliminating false matches, is predicted to be realized as part of the boundary grouping process in layer 2/3 of cortical area V2. The model has been used to simulate the consciously seen 3D surface percepts in 18 psychophysical experiments. These percepts include the Venetian blind effect, Panum's limiting case, contrast variations of dichoptic masking and the correspondence problem, the effect of interocular contrast differences on stereoacuity, stereopsis with polarity-reversed stereograms, da Vinci stereopsis, and perceptual closure. These model mechanisms have also simulated properties of 3D neon color spreading, binocular rivalry, 3D Necker cube, and many examples of 3D figure-ground separation.

  9. Self-assembled indium arsenide quantum dots: Structure, formation dynamics, optical properties

    NASA Astrophysics Data System (ADS)

    Lee, Hao

    1998-12-01

    In this dissertation, we investigate the properties of InAs/GaAs quantum dots grown by molecular beam epitaxy. The structure and formation dynamics of InAs quantum dots are studied by a variety of structural characterization techniques. Correlations among the growth conditions, the structural characteristics, and the observed optical properties are explored. The most fundamental structural characteristic of the InAs quantum dots is their shape. Through detailed study of the reflection high energy electron diffraction patterns, we determined that self-assembled InAs islands possess a pyramidal shape with 136 bounding facets. Cross-sectional transmission electron microscopy images and atomic force microscopy images strongly support this model. The 136 model we proposed is the first model that is consistent with all reported shape features determined using different methods. The dynamics of coherent island formation is also studied with the goal of establishing the factors most important in determining the size, density, and the shape of self- organized InAs quantum dots. Our studies clearly demonstrate the roles that indium diffusion and desorption play in InAs island formation. An unexpected finding (from atomic force microscopy images) was that the island size distribution bifurcated during post- growth annealing. Photoluminescence spectra of the samples subjected to in-situ annealing prior to the growth of a capping layer show a distinctive double-peak feature. The power-dependence and temperature-dependence of the photoluminescence spectra reveals that the double- peak emission is associated with the ground-state transition of islands in two different size branches. These results confirm the island size bifurcation observed from atomic force microscopy images. The island size bifurcation provides a new approach to the control and manipulation of the island size distribution. Unexpected dependence of the photoluminescence line-shape on sample temperature and pump intensity was observed for samples grown at relatively high substrate temperatures. The behavior is modeled and explained in terms of competition between two overlapping transitions. The study underscores that the growth conditions can have a dramatic impact on the optical properties of the quantum dots. This dissertation includes both my previously published and unpublished authored materials.

  10. Development of a Knowledge Base of Ti-Alloys From First-Principles and Thermodynamic Modeling

    NASA Astrophysics Data System (ADS)

    Marker, Cassie

    An aging population with an active lifestyle requires the development of better load-bearing implants, which have high levels of biocompatibility and a low elastic modulus. Titanium alloys, in the body centered cubic phase, are great implant candidates, due to their mechanical properties and biocompatibility. The present work aims at investigating the thermodynamic and elastic properties of bcc Tialloys, using the integrated first-principles based on Density Functional Theory (DFT) and the CALculation of PHAse Diagrams (CALPHAD) method. The use of integrated first-principles calculations based on DFT and CALPHAD modeling has greatly reduced the need for trial and error metallurgy, which is ineffective and costly. The phase stability of Ti-alloys has been shown to greatly affect their elastic properties. Traditionally, CALPHAD modeling has been used to predict the equilibrium phase formation, but in the case of Ti-alloys, predicting the formation of two metastable phases o and alpha" is of great importance as these phases also drastically effect the elastic properties. To build a knowledge base of Ti-alloys, for biomedical load-bearing implants, the Ti-Mo-Nb-Sn-Ta-Zr system was studied because of the biocompatibility and the bcc stabilizing effects of some of the elements. With the focus on bcc Ti-rich alloys, a database of thermodynamic descriptions of each phase for the pure elements, binary and Ti-rich ternary alloys was developed in the present work. Previous thermodynamic descriptions for the pure elements were adopted from the widely used SGTE database for global compatibility. The previous binary and ternary models from the literature were evaluated for accuracy and new thermodynamic descriptions were developed when necessary. The models were evaluated using available experimental data, as well as the enthalpy of formation of the bcc phase obtained from first-principles calculations based on DFT. The thermodynamic descriptions were combined into a database ensuring that the sublattice models are compatible with each other. For subsystems, such as the Sn-Ta system, where no thermodynamic description had been evaluated and minimal experimental data was available, first-principles calculations based on DFT were used. The Sn-Ta system has two intermetallic phases, TaSn2 and Ta3Sn, with three solution phases: bcc, body centered tetragonal (bct) and diamond. First-principles calculations were completed on the intermetallic and solution phases. Special quasirandom structures (SQS) were used to obtain information about the solution phases across the entire composition range. The Debye-Gruneisen approach, as well as the quasiharmonic phonon method, were used to obtain the finite-temperature data. Results from the first-principles calculations and experiments were used to complete the thermodynamic description. The resulting phase diagram reproduced the first-principles calculations and experimental data accurately. In order to determine the effect of alloying on the elastic properties, first-principles calculations based on DFT were systematically done on the pure elements, five Ti-X binary systems and Ti-X-Y ternary systems (X ≠ Y = Mo, Nb, Sn, Ta Zr) in the bcc phase. The first-principles calculations predicted the single crystal elastic stiffness constants cij 's. Correspondingly, the polycrystalline aggregate properties were also estimated from the cij's, including bulk modulus B, shear modulus G and Young's modulus E. The calculated results showed good agreement with experimental results. The CALPHAD method was then adapted to assist in the database development of the elastic properties as a function of composition. On average, the database predicted the elastic properties of higher order Ti-alloys within 5 GPa of the experimental results. Finally, the formation of the metastable phases, o and alpha" was studied in the Ti-Ta and Ti-Nb systems. The formation energy of these phases, calculated from first-principles at 0 K, showed that the phases have similar formation energies to the bcc and hcp phases. Inelastic neutron scattering was completed on four different Ti-Nb compositions to study the entropy of the phases as well as the transformations occurring when the phases form and the phase fractions. Ongoing work is being done to use the experimental information to introduce thermodynamic descriptions for these two phases in the Ti-Nb system in order to be able to predict the formation and phase fractions. DFT based first-principles were used to predict the effect these phases have on the elastic properties and a rule of mixtures was used to determine the elastic properties of multi-phase alloys. The results were compared with experiments and showed that if the ongoing modeling can predict the phase fraction, the elastic database can accurately predict the elastic properties of the o and alpha" phases. This thesis provides a knowledge base of the thermodynamic and elastic properties of Ti-alloys from computational thermodynamics. The databases created will impact research activities on Ti-alloys and specifically efforts focused on Ti-alloys for biomedical applications.

  11. A study of H and D doped ZnO epitaxial films grown by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Li, Y. J.; Kaspar, T. C.; Droubay, T. C.; Joly, A. G.; Nachimuthu, P.; Zhu, Z.; Shutthanandan, V.; Chambers, S. A.

    2008-09-01

    We examine the crystal structure and electrical and optical properties of ZnO epitaxial films grown by pulsed laser deposition in a H2 or D2 ambient. n-type electrical conductivity is enhanced by three orders of magnitude as a result of growing in H2 (D2) compared to ZnO films grown in O2. Hall effect measurements reveal very small carrier activation energies and carrier concentrations in the mid-1018 cm-3 range. Optical absorption measurements show that the enhanced conductivity is not a result of ZnO reduction and interstitial Zn formation. Photoluminescence spectra suggest excitonic emission associated with exciton-hydrogen donor complex formation and show no evidence for midgap emission resulting from defects. We have modeled the transport properties of H (D) doped ZnO films using variable range hopping and surface layer conductivity models, but our data do not fit well with these models. Rather, it appears that growth in H2 (D2) promotes the formation of an exceedingly shallow donor state not seen in ZnO crystals annealed in H2 after growth. This new state may be associated with H (D) substitution at O sites in the lattice.

  12. Theoretical design strategies of bipolar membrane fuel cell with enhanced self-humidification behavior

    NASA Astrophysics Data System (ADS)

    Li, Qiushi; Gong, Jian; Peng, Sikan; Lu, Shanfu; Sui, Pang-Chieh; Djilali, Ned; Xiang, Yan

    2016-03-01

    The bipolar membrane fuel cells (BPMFCs), which have a unique acid-alkaline jointed membrane electrode assembly (MEA) structure, have demonstrated their great potential for self-humidification during operation. Although the self-humidification ability of such bipolar membranes (BPMs) has recently been validated by a one-dimensional BPM model, the transport mechanism and the formation of self-humidification in the MEAs are not well understood. In the present study, a two-dimensional cross-channel MEA model is developed to elucidate the mechanisms and enhancement of water transport on self-humidification with comprehensive consideration of the three electrochemical reaction zones. The water-formation interface model has been successfully investigated by theoretical and experimental interface reaction kinetics, streamlines of water flux present the formation process and mechanism of self-humidification. A critical current (voltage) value, beyond which self-humidification is initiated, is identified. It is also found that such critical current (voltage) can be adjusted by changing the membrane thickness and the water uptake property of the ionomer. It is concluded that fabricating BPMs with proper membrane thickness and water uptake property are effective strategies to enhance the water management and cell performance in BPMFCs.

  13. mocca-SURVEY database I. Accreting white dwarf binary systems in globular clusters - III. Cataclysmic variables - implications of model assumptions

    NASA Astrophysics Data System (ADS)

    Belloni, Diogo; Zorotovic, Mónica; Schreiber, Matthias R.; Leigh, Nathan W. C.; Giersz, Mirek; Askar, Abbas

    2017-06-01

    In this third of a series of papers related to cataclysmic variables (CVs) and related objects, we analyse the population of CVs in a set of 12 globular cluster models evolved with the MOCCA Monte Carlo code, for two initial binary populations (IBPs), two choices of common-envelope phase (CEP) parameters, and three different models for the evolution of CVs and the treatment of angular momentum loss. When more realistic models and parameters are considered, we find that present-day cluster CV duty cycles are extremely low (≲0.1 per cent) that makes their detection during outbursts rather difficult. Additionally, the IBP plays a significant role in shaping the CV population properties, and models that follow the Kroupa IBP are less affected by enhanced angular momentum loss. We also predict from our simulations that CVs formed dynamically in the past few Gyr (massive CVs) correspond to bright CVs (as expected) and that faint CVs formed several Gyr ago (dynamically or not) represent the overwhelming majority. Regarding the CV formation rate, we rule out the notion that it is similar irrespective of the cluster properties. Finally, we discuss the differences in the present-day CV properties related to the IBPs, the initial cluster conditions, the CEP parameters, formation channels, the CV evolution models and the angular momentum loss treatments.

  14. The formation of ice sails

    NASA Astrophysics Data System (ADS)

    Fowler, A. C.; Mayer, C.

    2017-11-01

    Debris-covered glaciers are prone to the formation of a number of supraglacial geomorphological features, and generally speaking, their upper surfaces are far from level surfaces. Some of these features are due to radiation screening or enhancing properties of the debris cover, but theoretical explanations of the consequent surface forms are in their infancy. In this paper we consider a theoretical model for the formation of "ice sails", which are regularly spaced bare ice features which are found on debris-covered glaciers in the Karakoram.

  15. Computational Simulation of the Formation and Material Behavior of Ice

    NASA Technical Reports Server (NTRS)

    Tong, Michael T.; Singhal, Surendra N.; Chamis, Christos C.

    1994-01-01

    Computational methods are described for simulating the formation and the material behavior of ice in prevailing transient environments. The methodology developed at the NASA Lewis Research Center was adopted. A three dimensional finite-element heat transfer analyzer was used to predict the thickness of ice formed under prevailing environmental conditions. A multi-factor interaction model for simulating the material behavior of time-variant ice layers is presented. The model, used in conjunction with laminated composite mechanics, updates the material properties of an ice block as its thickness increases with time. A sample case of ice formation in a body of water was used to demonstrate the methodology. The results showed that the formation and the material behavior of ice can be computationally simulated using the available composites technology.

  16. Is there an aerosol signature of aqueous processing?

    NASA Astrophysics Data System (ADS)

    Ervens, B.; Sorooshian, A.

    2017-12-01

    The formation of aerosol mass in cloud water has been recognized as a substantial source of atmospheric aerosol mass. While sulfate formation can be relatively well constrained, the formation of secondary organic aerosol mass in the aqueous phase (aqSOA) is much more complex due to the multitude of precursors and variety in chemical processes. Aqueous phase processing adds aerosol mass to the droplet mode, which is formed due to mass addition to activated particles in clouds. In addition, it has been shown that aqSOA mass has specific characteristics in terms of oxidation state and hygroscopicity that might help to distinguish it from other SOA sources. Many models do not include detailed chemical mechanisms of sulfate and aqSOA formation and also lack details on the mass distribution of newly formed mass. Mass addition inside and outside clouds modifies different parts of an aerosol population and consequently affects predictions of properties and lifetime of particles. Using a combination of field data analysis and model studies for a variety of air masses, we will show which chemical and physical aerosol properties can be used, in order to identify an `aqueous phase signature' in processed aerosol populations. We will discuss differences in this signature in clean (e.g., background), moderately polluted (e.g., urban) and highly polluted (e.g., biomass burning) air masses and suggest air-mass-specific chemical and/or physical properties that will help to quantify the aqueous-phase derived aerosol mass.

  17. Formation of a protocluster: A virialized structure from gravoturbulent collapse. II. A two-dimensional analytical model for a rotating and accreting system

    NASA Astrophysics Data System (ADS)

    Lee, Yueh-Ning; Hennebelle, Patrick

    2016-06-01

    Context. Most stars are born in the gaseous protocluster environment where the gas is reprocessed after the global collapse from the diffuse molecular cloud. The knowledge of this intermediate step gives more accurate constraints on star formation characteristics. Aims: We demonstrate that a virialized globally supported structure, in which star formation happens, is formed out of a collapsing molecular cloud, and we derive a mapping from the parent cloud parameters to the protocluster to predict its properties with a view to confront analytical calculations with observations and simulations. Methods: We decomposed the virial theorem into two dimensions to account for the rotation and the flattened geometry. Equilibrium was found by balancing rotation, turbulence, and self-gravity, while turbulence was maintained through accretion driving and it dissipates in one crossing time. We estimated the angular momentum and the accretion rate of the protocluster from the parent cloud properties. Results: The two-dimensional virial model predicts the size and velocity dispersion given the mass of the protocluster and that of the parent cloud. The gaseous protoclusters lie on a sequence of equilibrium with the trend R ~ M0.5 with limited variations, depending on the evolutionary stage, parent cloud, and parameters that are not well known, such as turbulence driving efficiency by accretion and turbulence anisotropy. The model reproduces observations and simulation results successfully. Conclusions: The properties of protoclusters follow universal relations and they can be derived from that of the parent cloud. The gaseous protocluster is an important primary stage of stellar cluster formation, and should be taken into account when studying star formation. Using simple estimates to infer the peak position of the core mass function (CMF) we find a weak dependence on the cluster mass, suggesting that the physical conditions inside protoclusters may contribute to set a CMF, and by extension an initial mass function (IMF), that appears to be independent of the environment.

  18. The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

    NASA Astrophysics Data System (ADS)

    Ioannidou, Katerina; Kanduč, Matej; Li, Lunna; Frenkel, Daan; Dobnikar, Jure; Del Gado, Emanuela

    2016-07-01

    Gelation and densification of calcium-silicate-hydrate take place during cement hydration. Both processes are crucial for the development of cement strength, and for the long-term evolution of concrete structures. However, the physicochemical environment evolves during cement formation, making it difficult to disentangle what factors are crucial for the mechanical properties. Here we use Monte Carlo and Molecular Dynamics simulations to study a coarse-grained model of cement formation, and investigate the equilibrium and arrested states. We can correlate the various structures with the time evolution of the interactions between the nano-hydrates during the preparation of cement. The novel emerging picture is that the changes of the physicochemical environment, which dictate the evolution of the effective interactions, specifically favour the early gel formation and its continuous densification. Our observations help us understand how cement attains its unique strength and may help in the rational design of the properties of cement and related materials.

  19. The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

    PubMed Central

    Ioannidou, Katerina; Kanduč, Matej; Li, Lunna; Frenkel, Daan; Dobnikar, Jure; Del Gado, Emanuela

    2016-01-01

    Gelation and densification of calcium–silicate–hydrate take place during cement hydration. Both processes are crucial for the development of cement strength, and for the long-term evolution of concrete structures. However, the physicochemical environment evolves during cement formation, making it difficult to disentangle what factors are crucial for the mechanical properties. Here we use Monte Carlo and Molecular Dynamics simulations to study a coarse-grained model of cement formation, and investigate the equilibrium and arrested states. We can correlate the various structures with the time evolution of the interactions between the nano-hydrates during the preparation of cement. The novel emerging picture is that the changes of the physicochemical environment, which dictate the evolution of the effective interactions, specifically favour the early gel formation and its continuous densification. Our observations help us understand how cement attains its unique strength and may help in the rational design of the properties of cement and related materials. PMID:27417911

  20. Analysis of Computational Models of Shaped Charges for Jet Formation and Penetration

    NASA Astrophysics Data System (ADS)

    Haefner, Jonah; Ferguson, Jim

    2016-11-01

    Shaped charges came into use during the Second World War demonstrating the immense penetration power of explosively formed projectiles and since has become a tool used by nearly every nation in the world. Penetration is critically dependent on how the metal liner is collapsed into a jet. The theory of jet formation has been studied in depth since the late 1940s, based on simple models that neglect the strength and compressibility of the metal liner. Although attempts have been made to improve these models, simplifying assumptions limit the understanding of how the material properties affect the jet formation. With a wide range of material and strength models available for simulation, a validation study was necessary to guide code users in choosing models for shaped charge simulations. Using PAGOSA, a finite-volume Eulerian hydrocode designed to model hypervelocity materials and strong shock waves developed by Los Alamos National Laboratory, and experimental data, we investigated the effects of various equations of state and material strength models on jet formation and penetration of a steel target. Comparing PAGOSA simulations against modern experimental data, we analyzed the strengths and weaknesses of available computational models. LA-UR-16-25639 Los Alamos National Laboratory.

  1. Glassy dynamics in three-dimensional embryonic tissues

    PubMed Central

    Schötz, Eva-Maria; Lanio, Marcos; Talbot, Jared A.; Manning, M. Lisa

    2013-01-01

    Many biological tissues are viscoelastic, behaving as elastic solids on short timescales and fluids on long timescales. This collective mechanical behaviour enables and helps to guide pattern formation and tissue layering. Here, we investigate the mechanical properties of three-dimensional tissue explants from zebrafish embryos by analysing individual cell tracks and macroscopic mechanical response. We find that the cell dynamics inside the tissue exhibit features of supercooled fluids, including subdiffusive trajectories and signatures of caging behaviour. We develop a minimal, three-parameter mechanical model for these dynamics, which we calibrate using only information about cell tracks. This model generates predictions about the macroscopic bulk response of the tissue (with no fit parameters) that are verified experimentally, providing a strong validation of the model. The best-fit model parameters indicate that although the tissue is fluid-like, it is close to a glass transition, suggesting that small changes to single-cell parameters could generate a significant change in the viscoelastic properties of the tissue. These results provide a robust framework for quantifying and modelling mechanically driven pattern formation in tissues. PMID:24068179

  2. Star Formation History In Merging Galaxies

    NASA Astrophysics Data System (ADS)

    Chien, Li-Hsin

    2009-01-01

    Interacting and merging galaxies are believed to play an important role in many aspects of galactic evolution. Their violent interactions can trigger starbursts, which lead to formation of young globular clusters. Therefore the ages of these young globular clusters can be interpreted to yield the timing of interaction-triggered events, and thus provide a key to reconstruct the star formation history in merging galaxies. The link between galaxy interaction and star formation is well established, but the triggers of star formation in interacting galaxies are still not understood. To date there are two competing formulas that describe the star formation mechanism--density-dependent and shock-induced rules. Numerical models implementing the two rules predict significantly different star formation histories in merging galaxies. My dissertation combines these two distinct areas of astrophysics, stellar evolution and galactic dynamics, to investigate the star formation history in galaxies at various merging stages. Begin with NGC 4676 as an example, I will briefly describe its model and illustrate the idea of using the ages of clusters to constrain the modeling. The ages of the clusters are derived from spectra that were taken with multi-object spectroscopy on Keck. Using NGC 7252 as a second example, I will present a state of the art dynamical model which predicts NGC7252's star formation history and other properties. I will then show a detailed comparison and analysis between the clusters and the modeling. In the end, I will address this important link as the key to answer the fundamental question of my thesis: what is the trigger of star formation in merging galaxies?

  3. MULTIDARK-GALAXIES: data release and first results

    NASA Astrophysics Data System (ADS)

    Knebe, Alexander; Stoppacher, Doris; Prada, Francisco; Behrens, Christoph; Benson, Andrew; Cora, Sofia A.; Croton, Darren J.; Padilla, Nelson D.; Ruiz, Andrés N.; Sinha, Manodeep; Stevens, Adam R. H.; Vega-Martínez, Cristian A.; Behroozi, Peter; Gonzalez-Perez, Violeta; Gottlöber, Stefan; Klypin, Anatoly A.; Yepes, Gustavo; Enke, Harry; Libeskind, Noam I.; Riebe, Kristin; Steinmetz, Matthias

    2018-03-01

    We present the public release of the MULTIDARK-GALAXIES: three distinct galaxy catalogues derived from one of the Planck cosmology MULTIDARK simulations (i.e. MDPL2, with a volume of (1 h-1 Gpc)3 and mass resolution of 1.5 × 109 h-1 M⊙) by applying the semi-analytic models GALACTICUS, SAG, and SAGE to it. We compare the three models and their conformity with observational data for a selection of fundamental properties of galaxies like stellar mass function, star formation rate, cold gas fractions, and metallicities - noting that they sometimes perform differently reflecting model designs and calibrations. We have further selected galaxy subsamples of the catalogues by number densities in stellar mass, cold gas mass, and star formation rate in order to study the clustering statistics of galaxies. We show that despite different treatment of orphan galaxies, i.e. galaxies that lost their dark-matter host halo due to the finite-mass resolution of the N-body simulation or tidal stripping, the clustering signal is comparable, and reproduces the observations in all three models - in particular when selecting samples based upon stellar mass. Our catalogues provide a powerful tool to study galaxy formation within a volume comparable to those probed by ongoing and future photometric and redshift surveys. All model data consisting of a range of galaxy properties - including broad-band SDSS magnitudes - are publicly available.

  4. Stellar Collisions and Blue Straggler Stars in Dense Globular Clusters

    NASA Astrophysics Data System (ADS)

    Chatterjee, Sourav; Rasio, Frederic A.; Sills, Alison; Glebbeek, Evert

    2013-11-01

    Blue straggler stars (BSSs) are abundantly observed in all Galactic globular clusters (GGCs) where data exist. However, observations alone cannot reveal the relative importance of various formation channels or the typical formation times for this well-studied population of anomalous stars. Using a state-of-the-art Hénon-type Monte Carlo code that includes all relevant physical processes, we create 128 models with properties typical of the observed GGCs. These models include realistic numbers of single and binary stars, use observationally motivated initial conditions, and span large ranges in central density, concentration, binary fraction, and mass. Their properties can be directly compared with those of observed GGCs. We can easily identify the BSSs in our models and determine their formation channels and birth times. We find that for central densities above ~103 M ⊙ pc-3, the dominant formation channel is stellar collisions, while for lower density clusters, mass transfer in binaries provides a significant contribution (up to 60% in our models). The majority of these collisions are binary-mediated, occurring during three-body and four-body interactions. As a result, a strong correlation between the specific frequency of BSSs and the binary fraction in a cluster can be seen in our models. We find that the number of BSSs in the core shows only a weak correlation with the collision rate estimator Γ traditionally used by observers, in agreement with the latest Hubble Space Telescope Advanced Camera for Surveys data. Using an idealized "full mixing" prescription for collision products, our models indicate that the BSSs observed today may have formed several Gyr ago. However, denser clusters tend to have younger (~1 Gyr) BSSs.

  5. Mathematical modeling and simulation analysis of hydraulic fracture propagation in three-layered poro-elastic media

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Moon, H.Y.; Advani, S.H.; Lee, T.S.

    1992-11-01

    Hydraulic fracturing plays a pivotal role in the enhancement of oil and gas production recovery from low permeability reservoirs. The process of hydraulic fracturing entails the generation of a fracture by pumping fluids blended with special chemicals and proppants into the payzone at high injection rates and pressures to extend and wedge fractures. The mathematical modeling of hydraulically induced fractures generally incorporates coupling between the formation elasticity, fracture fluid flow, and fracture mechanics equations governing the formation structural responses, fluid pressure profile, and fracture growth. Two allied unsymmetric elliptic fracture models are developed for fracture configuration evolutions in three-layered rockmore » formations. The first approach is based on a Lagrangian formulation incorporating pertinent energy components associated with the formation structural responses and fracture fluid flow. The second model is based on a generalized variational principle, introducing an energy rate related functional. These models initially simulate a penny-shaped fracture, which becomes elliptic if the crack tips encounters (upper and/or lower) barriers with differential reservoir properties (in situ stresses, 16 elastic moduli, and fracture toughness-contrasts and fluid leak-off characteristics). The energy rate component magnitudes are determined to interpret the governing hydraulic fracture mechanisms during fracture evolution. The variational principle is extended to study the phenomenon and consequences of fluid lag in fractures. Finally, parametric sensitivity and energy rate investigations to evaluate the roles of controllable hydraulic treatment variables and uncontrollable reservoir property characterization parameters are performed. The presented field applications demonstrate the overall capabilities of the developed models. These studies provide stimulation treatment guidelines for fracture configuration design, control, and optimization.« less

  6. Tension stimulation drives tissue formation in scaffold-free systems

    NASA Astrophysics Data System (ADS)

    Lee, Jennifer K.; Huwe, Le W.; Paschos, Nikolaos; Aryaei, Ashkan; Gegg, Courtney A.; Hu, Jerry C.; Athanasiou, Kyriacos A.

    2017-08-01

    Scaffold-free systems have emerged as viable approaches for engineering load-bearing tissues. However, the tensile properties of engineered tissues have remained far below the values for native tissue. Here, by using self-assembled articular cartilage as a model to examine the effects of intermittent and continuous tension stimulation on tissue formation, we show that the application of tension alone, or in combination with matrix remodelling and synthesis agents, leads to neocartilage with tensile properties approaching those of native tissue. Implantation of tension-stimulated tissues results in neotissues that are morphologically reminiscent of native cartilage. We also show that tension stimulation can be translated to a human cell source to generate anisotropic human neocartilage with enhanced tensile properties. Tension stimulation, which results in nearly sixfold improvements in tensile properties over unstimulated controls, may allow the engineering of mechanically robust biological replacements of native tissue.

  7. Accretion Disks and the Formation of Stellar Systems

    NASA Astrophysics Data System (ADS)

    Kratter, Kaitlin Michelle

    2011-02-01

    In this thesis, we examine the role of accretion disks in the formation of stellar systems, focusing on young massive disks which regulate the flow of material from the parent molecular core down to the star. We study the evolution of disks with high infall rates that develop strong gravitational instabilities. We begin in chapter 1 with a review of the observations and theory which underpin models for the earliest phases of star formation and provide a brief review of basic accretion disk physics, and the numerical methods that we employ. In chapter 2 we outline the current models of binary and multiple star formation, and review their successes and shortcomings from a theoretical and observational perspective. In chapter 3 we begin with a relatively simple analytic model for disks around young, high mass stars, showing that instability in these disks may be responsible for the higher multiplicity fraction of massive stars, and perhaps the upper mass to which they grow. We extend these models in chapter 4 to explore the properties of disks and the formation of binary companions across a broad range of stellar masses. In particular, we model the role of global and local mechanisms for angular momentum transport in regulating the relative masses of disks and stars. We follow the evolution of these disks throughout the main accretion phase of the system, and predict the trajectory of disks through parameter space. We follow up on the predictions made in our analytic models with a series of high resolution, global numerical experiments in chapter 5. Here we propose and test a new parameterization for describing rapidly accreting, gravitationally unstable disks. We find that disk properties and system multiplicity can be mapped out well in this parameter space. Finally, in chapter 6, we address whether our studies of unstable disks are relevant to recently detected massive planets on wide orbits around their central stars.

  8. Multivariate Formation Pressure Prediction with Seismic-derived Petrophysical Properties from Prestack AVO inversion and Poststack Seismic Motion Inversion

    NASA Astrophysics Data System (ADS)

    Yu, H.; Gu, H.

    2017-12-01

    A novel multivariate seismic formation pressure prediction methodology is presented, which incorporates high-resolution seismic velocity data from prestack AVO inversion, and petrophysical data (porosity and shale volume) derived from poststack seismic motion inversion. In contrast to traditional seismic formation prediction methods, the proposed methodology is based on a multivariate pressure prediction model and utilizes a trace-by-trace multivariate regression analysis on seismic-derived petrophysical properties to calibrate model parameters in order to make accurate predictions with higher resolution in both vertical and lateral directions. With prestack time migration velocity as initial velocity model, an AVO inversion was first applied to prestack dataset to obtain high-resolution seismic velocity with higher frequency that is to be used as the velocity input for seismic pressure prediction, and the density dataset to calculate accurate Overburden Pressure (OBP). Seismic Motion Inversion (SMI) is an inversion technique based on Markov Chain Monte Carlo simulation. Both structural variability and similarity of seismic waveform are used to incorporate well log data to characterize the variability of the property to be obtained. In this research, porosity and shale volume are first interpreted on well logs, and then combined with poststack seismic data using SMI to build porosity and shale volume datasets for seismic pressure prediction. A multivariate effective stress model is used to convert velocity, porosity and shale volume datasets to effective stress. After a thorough study of the regional stratigraphic and sedimentary characteristics, a regional normally compacted interval model is built, and then the coefficients in the multivariate prediction model are determined in a trace-by-trace multivariate regression analysis on the petrophysical data. The coefficients are used to convert velocity, porosity and shale volume datasets to effective stress and then to calculate formation pressure with OBP. Application of the proposed methodology to a research area in East China Sea has proved that the method can bridge the gap between seismic and well log pressure prediction and give predicted pressure values close to pressure meassurements from well testing.

  9. Ice Cloud Formation and Dehydration in the Tropical Tropopause Layer

    NASA Technical Reports Server (NTRS)

    Jensen, Eric; Pfister, Leonhard; Gore, Warren J. (Technical Monitor)

    2002-01-01

    Stratospheric water vapor is important not only for its greenhouse forcing, but also because it plays a significant role in stratospheric chemistry. several recent studies have focused on the potential for dehydration due to ice cloud formation in air rising slowly through the tropical tropopause layer. Holton and Gettelman showed that temperature variations associated with horizontal transport of air in the tropopause layer can drive ice cloud formation and dehydration, and Gettelman et al. recently examined the cloud formation and dehydration along kinematic trajectories using simple assumptions about the cloud properties. In this study, we use a Lagrangian, one-dimensional cloud model to further investigate cloud formation and dehydration as air is transported horizontally and vertically through the tropical tropopause layer. Time-height curtains of temperature are extracted from meteorological analyses. The model tracks the growth and sedimentation of individual cloud particles. The regional distribution of clouds simulated in the model is comparable to the subvisible cirrus distribution indicated by SAGE II. The simulated cloud properties depend strongly on the assumed ice supersaturation threshold for ice nucleation. with effective nuclei present (low supersaturation threshold), ice number densities are high (0.1--10 cm(circumflex)-3), and ice crystals do not grow large enough to fall very far, resulting in limited dehydration. With higher supersaturation thresholds, ice number densities are much lower (less than 0.01 cm(circumflex)-3), and ice crystals grow large enough to fall substantially; however, supersaturated air often crosses the tropopause without cloud formation. The clouds typically do not dehydrate the air along trajectories down to the temperature minimum saturation mixing ratio. Rather the water vapor mixing ratio crossing the tropopause along trajectories is typically 10-50% larger than the saturation mixing ratio.

  10. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

    NASA Astrophysics Data System (ADS)

    Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

    2017-07-01

    While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

  11. An effective medium approach to modelling the pressure-dependent electrical properties of porous rocks

    NASA Astrophysics Data System (ADS)

    Han, Tongcheng

    2018-07-01

    Understanding the electrical properties of rocks under varying pressure is important for a variety of geophysical applications. This study proposes an approach to modelling the pressure-dependent electrical properties of porous rocks based on an effective medium model. The so-named Textural model uses the aspect ratios and pressure-dependent volume fractions of the pores and the aspect ratio and electrical conductivity of the matrix grains. The pores were represented by randomly oriented stiff and compliant spheroidal shapes with constant aspect ratios, and their pressure-dependent volume fractions were inverted from the measured variation of total porosity with differential pressure using a dual porosity model. The unknown constant stiff and compliant pore aspect ratios and the aspect ratio and electrical conductivity of the matrix grains were inverted by best fitting the modelled electrical formation factor to the measured data. Application of the approach to three sandstone samples covering a broad porosity range showed that the pressure-dependent electrical properties can be satisfactorily modelled by the proposed approach. The results demonstrate that the dual porosity concept is sufficient to explain the electrical properties of porous rocks under pressure through the effective medium model scheme.

  12. Comprehensive gravitational modeling of the vertical cylindrical prism by Gauss-Legendre quadrature integration

    NASA Astrophysics Data System (ADS)

    Asgharzadeh, M. F.; Hashemi, H.; von Frese, R. RB

    2018-01-01

    Forward modeling is the basis of gravitational anomaly inversion that is widely applied to map subsurface mass variations. This study uses numerical least-squares Gauss-Legendre quadrature (GLQ) integration to evaluate the gravitational potential, anomaly and gradient components of the vertical cylindrical prism element. These results, in turn, may be integrated to accurately model the complete gravitational effects of fluid bearing rock formations and other vertical cylinder-like geological bodies with arbitrary variations in shape and density. Comparing the GLQ gravitational effects of uniform density, vertical circular cylinders against the effects calculated by a number of other methods illustrates the veracity of the GLQ modeling method and the accuracy limitations of the other methods. Geological examples include modeling the gravitational effects of a formation washout to help map azimuthal variations of the formation's bulk densities around the borehole wall. As another application, the gravitational effects of a seismically and gravimetrically imaged salt dome within the Laurentian Basin are evaluated for the velocity, density and geometric properties of the Basin's sedimentary formations.

  13. Characterizing Organic Aerosol Processes and Climatically Relevant Properties via Advanced and Integrated Analyses of Aerosol Mass Spectrometry Datasets from DOE Campaigns and ACRF Measurements. Final report for DE-SC0007178

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Qi

    Organic aerosols (OA) are an important but poorly characterized component of the earth’s climate system. Enormous complexities commonly associated with OA composition and life cycle processes have significantly complicated the simulation and quantification of aerosol effects. To unravel these complexities and improve understanding of the properties, sources, formation, evolution processes, and radiative properties of atmospheric OA, we propose to perform advanced and integrated analyses of multiple DOE aerosol mass spectrometry datasets, including two high-resolution time-of-flight aerosol mass spectrometer (HR-AMS) datasets from intensive field campaigns on the aerosol life cycle and the Aerosol Chemical Speciation Monitor (ACSM) datasets from long-term routinemore » measurement programs at ACRF sites. In this project, we will focus on 1) characterizing the chemical (i.e., composition, organic elemental ratios), physical (i.e., size distribution and volatility), and radiative (i.e., sub- and super-saturated growth) properties of organic aerosols, 2) examining the correlations of these properties with different source and process regimes (e.g., primary, secondary, urban, biogenic, biomass burning, marine, or mixtures), 3) quantifying the evolutions of these properties as a function of photochemical processing, 4) identifying and characterizing special cases for important processes such as SOA formation and new particle formation and growth, and 5) correlating size-resolved aerosol chemistry with measurements of radiative properties of aerosols to determine the climatically relevant properties of OA and characterize the relationship between these properties and processes of atmospheric aerosol organics. Our primary goal is to improve a process-level understanding of the life cycle of organic aerosols in the Earth’s atmosphere. We will also aim at bridging between observations and models via synthesizing and translating the results and insights generated from this research into data products and formulations that may be directly used to inform, improve, and evaluate regional and global models. In addition, we will continue our current very active collaborations with several modeling groups to enhance the use and interpretation of our data products. Overall, this research will contribute new data to improve quantification of the aerosol’s effects on climate and thus the achievement of ASR’s science goal of – “improving the fidelity and predictive capability of global climate models”.« less

  14. Iceland as a Model for Chemical Alteration on Mars

    NASA Technical Reports Server (NTRS)

    Bishop, Janice L.; Schiffman, P.; Murad, E.; Southard, R.; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    Subglacial volcanic activity on Iceland has led to the formation of a variety of silicate and iron oxide-rich alteration products that may serve as a model for chemical alteration on Mars. Multiple palagonitic tuffs, altered pillow lavas, hydrothermal springs and alteration at glacial run-off streams were observed during a recent field trip in Iceland. Formation of alteration products and ferrihydrite in similar environments on Mars may have contributed to the ferric oxide-rich surface material there. The spectral and chemical properties of Icelandic alteration products and ferrihydrites are presented here.

  15. Rabbit Achilles tendon full transection model – wound healing, adhesion formation and biomechanics at 3, 6 and 12 weeks post-surgery

    PubMed Central

    Meier Bürgisser, Gabriella; Calcagni, Maurizio; Bachmann, Elias; Fessel, Gion; Snedeker, Jess G.; Giovanoli, Pietro

    2016-01-01

    ABSTRACT After tendon rupture repair, two main problems may occur: re-rupture and adhesion formation. Suitable non-murine animal models are needed to study the healing tendon in terms of biomechanical properties and extent of adhesion formation. In this study 24 New Zealand White rabbits received a full transection of the Achilles tendon 2 cm above the calcaneus, sutured with a 4-strand Becker suture. Post-surgical analysis was performed at 3, 6 and 12 weeks. In the 6-week group, animals received a cast either in a 180 deg stretched position during 6 weeks (adhesion provoking immobilization), or were re-casted with a 150 deg position after 3 weeks (adhesion inhibiting immobilization), while in the other groups (3 and 12 weeks) a 180 deg position cast was applied for 3 weeks. Adhesion extent was analyzed by histology and ultrasound. Histopathological scoring was performed according to a method by Stoll et al. (2011), and the main biomechanical properties were assessed. Histopathological scores increased as a function of time, but did not reach values of healthy tendons after 12 weeks (only around 15 out of 20 points). Adhesion provoking immobilization led to an adhesion extent of 82.7±9.7%, while adhesion inhibiting immobilization led to 31.9±9.8% after 6 weeks. Biomechanical properties increased over time, however, they did not reach full strength nor elastic modulus at 12 weeks post-operation. Furthermore, the rabbit Achilles tendon model can be modulated in terms of adhesion formation to the surrounding tissue. It clearly shows the different healing stages in terms of histopathology and offers a suitable model regarding biomechanics because it exhibits similar biomechanics as the human flexor tendons of the hand. PMID:27635037

  16. Galactic cold cores. VIII. Filament formation and evolution: Filament properties in context with evolutionary models

    NASA Astrophysics Data System (ADS)

    Rivera-Ingraham, A.; Ristorcelli, I.; Juvela, M.; Montillaud, J.; Men'shchikov, A.; Malinen, J.; Pelkonen, V.-M.; Marston, A.; Martin, P. G.; Pagani, L.; Paladini, R.; Paradis, D.; Ysard, N.; Ward-Thompson, D.; Bernard, J.-P.; Marshall, D. J.; Montier, L.; Tóth, L. V.

    2017-05-01

    Context. The onset of star formation is intimately linked with the presence of massive unstable filamentary structures. These filaments are therefore key for theoretical models that aim to reproduce the observed characteristics of the star formation process in the Galaxy. Aims: As part of the filament study carried out by the Herschel Galactic Cold Cores Key Programme, here we study and discuss the filament properties presented in GCC VII (Paper I) in context with theoretical models of filament formation and evolution. Methods: A conservatively selected sample of filaments located at a distance D< 500 pc was extracted from the GCC fields with the getfilaments algorithm. The physical structure of the filaments was quantified according to two main components: the central (Gaussian) region of the filament (core component), and the power-law-like region dominating the filament column density profile at larger radii (wing component). The properties and behaviour of these components relative to the total linear mass density of the filament and the column density of its environment were compared with the predictions from theoretical models describing the evolution of filaments under gravity-dominated conditions. Results: The feasibility of a transition from a subcritical to supercritical state by accretion at any given time is dependent on the combined effect of filament intrinsic properties and environmental conditions. Reasonably self-gravitating (high Mline,core) filaments in dense environments (AV≳ 3 mag) can become supercritical on timescales of t 1 Myr by accreting mass at constant or decreasing width. The trend of increasing Mline,tot (Mline,core and Mline,wing) and ridge AV with background for the filament population also indicates that the precursors of star-forming filaments evolve coevally with their environment. The simultaneous increase of environment and filament AV explains the observed association between dense environments and high Mline,core values, and it argues against filaments remaining in constant single-pressure equilibrium states. The simultaneous growth of filament and background in locations with efficient mass assembly, predicted in numerical models of filaments in collapsing clouds, presents a suitable scenario for the fulfillment of the combined filament mass-environment criterium that is in quantitative agreement with Herschel observations. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  17. Table and Charts of Equilibrium Normal-shock Properties for Pure Hydrogen with Velocities to 70 km/sec. Revised.

    NASA Technical Reports Server (NTRS)

    Miller, C. G., III; Wilder, S. E.

    1976-01-01

    Errors found in the original edition are corrected. Refinement was made in procedures for solving the conservation relations for an incident (moving), standing, and reflected normal shock, as well as in computational methods for determining thermochemical-equilibrium hydrogen properties. A six-species hydrogen model replaces the original four-species model, and the heat of formation and spectroscopic constants used in this six-species model are listed in appendix A. In appendix B, comparisons are made between a number of methods for determining equilibrium thermodynamic properties for hydrogen for several values of pressure and temperatures to 50000 K. A comparison is also performed between the present method and a second method for determining thermodynamic properties and flow velocity behind an incident shock into pure hydrogen and behind a reflected shock.

  18. Effect of Zn addition on structural, magnetic properties, antistructural modeling of Co1-xZnxFe2O4 nano ferrite

    NASA Astrophysics Data System (ADS)

    Raghuvanshi, S.; Kane, S. N.; Tatarchuk, T. R.; Mazaleyrat, F.

    2018-05-01

    Effect of Zn addition on cationic distribution, structural properties, magnetic properties, antistructural modeling of nanocrystalline Co1-xZnxFe2O4 (0.08 ≤ x ≤ 0.56) ferrite is reported. XRD confirms the formation of single phase cubic spinel nano ferrites with average grain diameter ranging between 41.2 - 54.9 nm. Coercivity (Hc), anisotropy constant (K1) decreases with Zn addition, but experimental, theoretical saturation magnetization (Ms, Ms(t)) increases upto x = 0.32, then decreases, attributed to the breaking of collinear ferrimagnetic phase. Variation of magnetic properties is correlated with cationic distribution. A new antistructural modeling for describing active surface centers is discussed to explain change in concentration of donor's active centers Zn'B, Co'B, acceptor's active centers Fe*A are explained.

  19. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

    PubMed

    Glatz, Brittany; Sarupria, Sapna

    2018-01-23

    Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

  20. Fitness model for the Italian interbank money market.

    PubMed

    De Masi, G; Iori, G; Caldarelli, G

    2006-12-01

    We use the theory of complex networks in order to quantitatively characterize the formation of communities in a particular financial market. The system is composed by different banks exchanging on a daily basis loans and debts of liquidity. Through topological analysis and by means of a model of network growth we can determine the formation of different group of banks characterized by different business strategy. The model based on Pareto's law makes no use of growth or preferential attachment and it reproduces correctly all the various statistical properties of the system. We believe that this network modeling of the market could be an efficient way to evaluate the impact of different policies in the market of liquidity.

  1. A unified model for galactic discs: star formation, turbulence driving, and mass transport

    NASA Astrophysics Data System (ADS)

    Krumholz, Mark R.; Burkhart, Blakesley; Forbes, John C.; Crocker, Roland M.

    2018-06-01

    We introduce a new model for the structure and evolution of the gas in galactic discs. In the model the gas is in vertical pressure and energy balance. Star formation feedback injects energy and momentum, and non-axisymmetric torques prevent the gas from becoming more than marginally gravitationally unstable. From these assumptions we derive the relationship between galaxies' bulk properties (gas surface density, stellar content, and rotation curve) and their star formation rates, gas velocity dispersions, and rates of radial inflow. We show that the turbulence in discs can be powered primarily by star formation feedback, radial transport, or a combination of the two. In contrast to models that omit either radial transport or star formation feedback, the predictions of this model yield excellent agreement with a wide range of observations, including the star formation law measured in both spatially resolved and unresolved data, the correlation between galaxies' star formation rates and velocity dispersions, and observed rates of radial inflow. The agreement holds across a wide range of galaxy mass and type, from local dwarfs to extreme starbursts to high-redshift discs. We apply the model to galaxies on the star-forming main sequence, and show that it predicts a transition from mostly gravity-driven turbulence at high redshift to star-formation-driven turbulence at low redshift. This transition and the changes in mass transport rates that it produces naturally explain why galaxy bulges tend to form at high redshift and discs at lower redshift, and why galaxies tend to quench inside-out.

  2. Galaxy and Mass Assembly (GAMA): halo formation times and halo assembly bias on the cosmic web

    NASA Astrophysics Data System (ADS)

    Tojeiro, Rita; Eardley, Elizabeth; Peacock, John A.; Norberg, Peder; Alpaslan, Mehmet; Driver, Simon P.; Henriques, Bruno; Hopkins, Andrew M.; Kafle, Prajwal R.; Robotham, Aaron S. G.; Thomas, Peter; Tonini, Chiara; Wild, Vivienne

    2017-09-01

    We present evidence for halo assembly bias as a function of geometric environment (GE). By classifying Galaxy and Mass Assembly (GAMA) galaxy groups as residing in voids, sheets, filaments or knots using a tidal tensor method, we find that low-mass haloes that reside in knots are older than haloes of the same mass that reside in voids. This result provides direct support to theories that link strong halo tidal interactions with halo assembly times. The trend with GE is reversed at large halo mass, with haloes in knots being younger than haloes of the same mass in voids. We find a clear signal of halo downsizing - more massive haloes host galaxies that assembled their stars earlier. This overall trend holds independently of GE. We support our analysis with an in-depth exploration of the L-Galaxies semi-analytic model, used here to correlate several galaxy properties with three different definitions of halo formation time. We find a complex relationship between halo formation time and galaxy properties, with significant scatter. We confirm that stellar mass to halo mass ratio, specific star formation rate (SFR) and mass-weighed age are reasonable proxies of halo formation time, especially at low halo masses. Instantaneous SFR is a poor indicator at all halo masses. Using the same semi-analytic model, we create mock spectral observations using complex star formation and chemical enrichment histories, which approximately mimic GAMA's typical signal-to-noise ratio and wavelength range. We use these mocks to assert how well potential proxies of halo formation time may be recovered from GAMA-like spectroscopic data.

  3. Investigating the 3-D Subduction Initiation Processes at Transform Faults and Passive Margins

    NASA Astrophysics Data System (ADS)

    Peng, H.; Leng, W.

    2017-12-01

    Studying the processes of subduction initiation is a key for understanding the Wilson cycle and improving the theory of plate tectonics. Previous studies investigated subduction initiation with geological synthesis and geodynamic modeling methods, discovering that subduction intends to initiate at the transform faults close to oceanic arcs, and that its evolutionary processes and surface volcanic expressions are controlled by plate strength. However, these studies are mainly conducted with 2-D models, which cannot deal with lateral heterogeneities of crustal thickness and strength along the plate interfaces. Here we extend the 2-D model to a 3-D parallel subduction model with high computational efficiency. With the new model, we study the dynamic controlling factors, morphology evolutionary processes and surface expressions for subduction initiation with lateral heterogeneities of material properties along transform faults and passive margins. We find that lateral lithospheric heterogeneities control the starting point of the subduction initiation along the newly formed trenches and the propagation speed for the trench formation. New subduction tends to firstly initiate at the property changing point along the transform faults or passive margins. Such finds may be applied to explain the formation process of the Izu-Bonin-Mariana (IBM) subduction zone in the western Pacific and the Scotia subduction zone at the south end of the South America. Our results enhance our understanding for the formation of new trenches and help to provide geodynamic modeling explanations for the observed remnant slabs in the upper mantle and the surface volcanic expressions.

  4. Sensitivity of airborne geophysical data to sublacustrine permafrost thaw

    NASA Astrophysics Data System (ADS)

    Minsley, B. J.; Wellman, T. P.; Walvoord, M. A.; Revil, A.

    2014-12-01

    A coupled hydrogeophysical forward and inverse modeling approach is developed to illustrate the ability of frequency-domain airborne electromagnetic (AEM) data to characterize subsurface physical properties associated with sublacustrine permafrost thaw during lake talik formation. Several scenarios are evaluated that consider the response to variable hydrologic forcing from different lake depths and hydrologic gradients. The model includes a physical property relationship that connects the dynamic distribution of subsurface electrical resistivity based on lithology as well as ice-saturation and temperature outputs from the SUTRA groundwater simulator with freeze/thaw physics. Electrical resistivity models are used to simulate AEM data in order to explore the sensitivity of geophysical observations to permafrost thaw. Simulations of sublacustrine talik formation over a 1000 year period modeled after conditions found in the Yukon Flats, Alaska, are evaluated. Synthetic geophysical data are analyzed with a Bayesian Markov chain Monte Carlo algorithm that provides a probabilistic assessment of geophysical model uncertainty and resolution. Major lithological and permafrost features are well resolved in the examples considered. The subtle geometry of partial ice-saturation beneath lakes during talik formation cannot be resolved using AEM data, but the gross characteristics of sub-lake resistivity models reflect bulk changes in ice content and can be used to determine the presence of a talik. A final example compares AEM and ground-based electromagnetic responses for their ability to resolve shallow permafrost and thaw features in the upper 1-2 m below ground.

  5. Investigation of wing crack formation with a combined phase-field and experimental approach

    NASA Astrophysics Data System (ADS)

    Lee, Sanghyun; Reber, Jacqueline E.; Hayman, Nicholas W.; Wheeler, Mary F.

    2016-08-01

    Fractures that propagate off of weak slip planes are known as wing cracks and often play important roles in both tectonic deformation and fluid flow across reservoir seals. Previous numerical models have produced the basic kinematics of wing crack openings but generally have not been able to capture fracture geometries seen in nature. Here we present both a phase-field modeling approach and a physical experiment using gelatin for a wing crack formation. By treating the fracture surfaces as diffusive zones instead of as discontinuities, the phase-field model does not require consideration of unpredictable rock properties or stress inhomogeneities around crack tips. It is shown by benchmarking the models with physical experiments that the numerical assumptions in the phase-field approach do not affect the final model predictions of wing crack nucleation and growth. With this study, we demonstrate that it is feasible to implement the formation of wing cracks in large scale phase-field reservoir models.

  6. Discrete Element Modeling of Micro-scratch Tests: Investigation of Mechanisms of CO2 Alteration in Reservoir Rocks

    NASA Astrophysics Data System (ADS)

    Sun, Zhuang; Espinoza, D. Nicolas; Balhoff, Matthew T.; Dewers, Thomas A.

    2017-12-01

    The injection of CO2 into geological formations leads to geochemical re-equilibrium between the pore fluid and rock minerals. Mineral-brine-CO2 reactions can induce alteration of mechanical properties and affect the structural integrity of the storage formation. The location of alterable mineral phases within the rock skeleton is important to assess the potential effects of mineral dissolution on bulk geomechanical properties. Hence, although often disregarded, the understanding of particle-scale mechanisms responsible for alterations is necessary to predict the extent of geomechanical alteration as a function of dissolved mineral amounts. This study investigates the CO2-related rock chemo-mechanical alteration through numerical modeling and matching of naturally altered rocks probed with micro-scratch tests. We use a model that couples the discrete element method (DEM) and the bonded particle model (BPM) to perform simulations of micro-scratch tests on synthetic rocks that mimic Entrada sandstone. Experimental results serve to calibrate numerical scratch tests with DEM-BPM parameters. Sensitivity analyses indicate that the cement size and bond shear strength are the most sensitive microscopic parameters that govern the CO2-induced alteration in Entrada sandstone. Reductions in cement size lead to decrease in scratch toughness and an increase in ductility in the rock samples. This work demonstrates how small variations of microscopic bond properties in cemented sandstone can lead to significant changes in macroscopic large-strain mechanical properties.

  7. H2-based star formation laws in hierarchical models of galaxy formation

    NASA Astrophysics Data System (ADS)

    Xie, Lizhi; De Lucia, Gabriella; Hirschmann, Michaela; Fontanot, Fabio; Zoldan, Anna

    2017-07-01

    We update our recently published model for GAlaxy Evolution and Assembly (GAEA), to include a self-consistent treatment of the partition of cold gas in atomic and molecular hydrogen. Our model provides significant improvements with respect to previous ones used for similar studies. In particular, GAEA (I) includes a sophisticated chemical enrichment scheme accounting for non-instantaneous recycling of gas, metals and energy; (II) reproduces the measured evolution of the galaxy stellar mass function; (III) reasonably reproduces the observed correlation between galaxy stellar mass and gas metallicity at different redshifts. These are important prerequisites for models considering a metallicity-dependent efficiency of molecular gas formation. We also update our model for disc sizes and show that model predictions are in nice agreement with observational estimates for the gas, stellar and star-forming discs at different cosmic epochs. We analyse the influence of different star formation laws including empirical relations based on the hydrostatic pressure of the disc, analytic models and prescriptions derived from detailed hydrodynamical simulations. We find that modifying the star formation law does not affect significantly the global properties of model galaxies, neither their distributions. The only quantity showing significant deviations in different models is the cosmic molecular-to-atomic hydrogen ratio, particularly at high redshift. Unfortunately, however, this quantity also depends strongly on the modelling adopted for additional physical processes. Useful constraints on the physical processes regulating star formation can be obtained focusing on low-mass galaxies and/or at higher redshift. In this case, self-regulation has not yet washed out differences imprinted at early time.

  8. Effect of theanine and polyphenols enriched fractions from decaffeinated tea dust on the formation of Maillard reaction products and sensory attributes of breads.

    PubMed

    Culetu, Alina; Fernandez-Gomez, Beatriz; Ullate, Monica; del Castillo, Maria Dolores; Andlauer, Wilfried

    2016-04-15

    The antiglycoxidative properties of theanine (TEF) and polyphenols enriched fractions (PEF) prepared from tea dust were tested in a model system composed of bovine serum albumin (BSA) and methylglyoxal (MGO). PEF caused a decrease in available free amino groups of BSA in presence and absence of MGO, suggesting the simultaneous occurrence of glycoxidation reaction and phenols-protein interaction. The presence of PEF and TEF inhibited formation of fluorescent advanced glycation end-products (AGEs). Moreover, theanine (TB) and polyphenol-enriched bread (PB) were formulated. A significant increase in free amino groups was observed in TBs with a dose-response effect, while addition of PEF in bread produced a significant decrease (p<0.05). PEF efficiently reduced fluorescent AGE formation in breads compared with TEF. The results are in line with the simplified model systems. PEF used as food ingredient allows obtaining a tasty food possessing health promoting properties and lower content of potential harmful compounds (AGEs). Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Approximations to galaxy star formation rate histories: properties and uses of two examples

    NASA Astrophysics Data System (ADS)

    Cohn, J. D.

    2018-05-01

    Galaxies evolve via a complex interaction of numerous different physical processes, scales and components. In spite of this, overall trends often appear. Simplified models for galaxy histories can be used to search for and capture such emergent trends, and thus to interpret and compare results of galaxy formation models to each other and to nature. Here, two approximations are applied to galaxy integrated star formation rate histories, drawn from a semi-analytic model grafted onto a dark matter simulation. Both a lognormal functional form and principal component analysis (PCA) approximate the integrated star formation rate histories fairly well. Machine learning, based upon simplified galaxy halo histories, is somewhat successful at recovering both fits. The fits to the histories give fixed time star formation rates which have notable scatter from their true final time rates, especially for quiescent and "green valley" galaxies, and more so for the PCA fit. For classifying galaxies into subfamilies sharing similar integrated histories, both approximations are better than using final stellar mass or specific star formation rate. Several subsamples from the simulation illustrate how these simple parameterizations provide points of contact for comparisons between different galaxy formation samples, or more generally, models. As a side result, the halo masses of simulated galaxies with early peak star formation rate (according to the lognormal fit) are bimodal. The galaxies with a lower halo mass at peak star formation rate appear to stall in their halo growth, even though they are central in their host halos.

  10. Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ke, Huibin; Wells, Peter; Edmondson, Philip D.

    Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low-Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion kinetics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fitmore » to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys characterized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that heterogeneous nucleation plays a critical role in MNSP formation in lower alloy Ni contents. Single variable assessments of compositional effects show that Ni plays a dominant role, while even small variations in irradiation temperature can have a large effect on the MNSP evolution. Within typical RPV steel ranges, Mn and Si have smaller effects. Furthermore, the delayed but then rapid growth of MNSPs to large volume fractions at high fluence is well predicted by the model. For purposes of illustration, the effect of MNSPs on transition temperature shifts are presented based on well-established microstructure-property and property-property models.« less

  11. Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

    DOE PAGES

    Ke, Huibin; Wells, Peter; Edmondson, Philip D.; ...

    2017-07-12

    Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low-Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion kinetics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fitmore » to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys characterized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that heterogeneous nucleation plays a critical role in MNSP formation in lower alloy Ni contents. Single variable assessments of compositional effects show that Ni plays a dominant role, while even small variations in irradiation temperature can have a large effect on the MNSP evolution. Within typical RPV steel ranges, Mn and Si have smaller effects. Furthermore, the delayed but then rapid growth of MNSPs to large volume fractions at high fluence is well predicted by the model. For purposes of illustration, the effect of MNSPs on transition temperature shifts are presented based on well-established microstructure-property and property-property models.« less

  12. Effect of binder liquid type on spherical crystallization.

    PubMed

    Maghsoodi, Maryam; Hajipour, Ali

    2014-11-01

    Spherical crystallization is a process of formation of agglomerates of crystals held together by binder liquid. This research focused on understanding the effect of type of solvents used as binder liquid on the agglomeration of crystals. Carbamazepine and ethanol/water were used respectively as a model drug and crystallization system. Eight solvents as binder liquid including chloroform, dichloromethane, isopropyl acetate, ethyl acetate, n-hexane, dimethyl aniline, benzene and toluene were examined to better understand the relationship between the physical properties of the binder liquid and its ability to bring about the formation of the agglomerates. Moreover, the agglomerates obtained from effective solvents as binder liquid were evaluated in term of size, apparent particle density and compressive strength. In this study the clear trend was observed experimentally in the agglomerate formation as a function of physical properties of the binder liquid such as miscibility with crystallization system. Furthermore, the properties of obtained agglomerates such as size, apparent particle density and compressive strength were directly related to physical properties of effective binder liquids. RESULTS of this study offer a useful starting point for a conceptual framework to guide the selection of solvent systems for spherical crystallization.

  13. Sedimentation Efficiency of Condensation Clouds in Substellar Atmospheres

    NASA Astrophysics Data System (ADS)

    Gao, Peter; Marley, Mark S.; Ackerman, Andrew S.

    2018-03-01

    Condensation clouds in substellar atmospheres have been widely inferred from spectra and photometric variability. Up until now, their horizontally averaged vertical distribution and mean particle size have been largely characterized using models, one of which is the eddy diffusion–sedimentation model from Ackerman and Marley that relies on a sedimentation efficiency parameter, f sed, to determine the vertical extent of clouds in the atmosphere. However, the physical processes controlling the vertical structure of clouds in substellar atmospheres are not well understood. In this work, we derive trends in f sed across a large range of eddy diffusivities (K zz ), gravities, material properties, and cloud formation pathways by fitting cloud distributions calculated by a more detailed cloud microphysics model. We find that f sed is dependent on K zz , but not gravity, when K zz is held constant. f sed is most sensitive to the nucleation rate of cloud particles, as determined by material properties like surface energy and molecular weight. High surface energy materials form fewer, larger cloud particles, leading to large f sed (>1), and vice versa for materials with low surface energy. For cloud formation via heterogeneous nucleation, f sed is sensitive to the condensation nuclei flux and radius, connecting cloud formation in substellar atmospheres to the objects’ formation environments and other atmospheric aerosols. These insights could lead to improved cloud models that help us better understand substellar atmospheres. For example, we demonstrate that f sed could increase with increasing cloud base depth in an atmosphere, shedding light on the nature of the brown dwarf L/T transition.

  14. Bursts of star formation in computer simulations of dwarf galaxies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Comins, N.F.

    1984-09-01

    A three-dimensional Stochastic Self-Propagating Star Formation (SSPSF) model of compact galacies is presented. Two phases of gas, active and inactive, are present, and permanent depletion of gas in the form of long lived, low mass stars and remnants occurs. Similarly, global infall of gas from a galactic halo or through galactic cannibalism is permitted. We base our parameters on the observed properties of the compact blue galaxy I Zw 36. Our results are that bursts of star formation occur much more frequently in these runs than continuous nonbursting star formation, suggesting that the blue compact galaxies are probably undergoing burstsmore » rather than continuous, nonbursting low-level star formation activity.« less

  15. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Benjamin; Tan, Jonathan C.; Christie, Duncan

    We study giant molecular cloud (GMC) collisions and their ability to trigger star cluster formation. We further develop our three-dimensional magnetized, turbulent, colliding GMC simulations by implementing star formation subgrid models. Two such models are explored: (1) “Density-Regulated,” i.e., fixed efficiency per free-fall time above a set density threshold and (2) “Magnetically Regulated,” i.e., fixed efficiency per free-fall time in regions that are magnetically supercritical. Variations of parameters associated with these models are also explored. In the non-colliding simulations, the overall level of star formation is sensitive to model parameter choices that relate to effective density thresholds. In the GMCmore » collision simulations, the final star formation rates and efficiencies are relatively independent of these parameters. Between the non-colliding and colliding cases, we compare the morphologies of the resulting star clusters, properties of star-forming gas, time evolution of the star formation rate (SFR), spatial clustering of the stars, and resulting kinematics of the stars in comparison to the natal gas. We find that typical collisions, by creating larger amounts of dense gas, trigger earlier and enhanced star formation, resulting in 10 times higher SFRs and efficiencies. The star clusters formed from GMC collisions show greater spatial substructure and more disturbed kinematics.« less

  16. Enhancement of the Mechanical Properties of Basalt Fiber-Wood-Plastic Composites via Maleic Anhydride Grafted High-Density Polyethylene (MAPE) Addition.

    PubMed

    Chen, Jinxiang; Wang, Yong; Gu, Chenglong; Liu, Jianxun; Liu, Yufu; Li, Min; Lu, Yun

    2013-06-18

    This study investigated the mechanisms, using microscopy and strength testing approaches, by which the addition of maleic anhydride grafted high-density polyethylene (MAPE) enhances the mechanical properties of basalt fiber-wood-plastic composites (BF-WPCs). The maximum values of the specific tensile and flexural strengths are achieved at a MAPE content of 5%-8%. The elongation increases rapidly at first and then continues slowly. The nearly complete integration of the wood fiber with the high-density polyethylene upon MAPE addition to WPC is examined, and two models of interfacial behavior are proposed. We examined the physical significance of both interfacial models and their ability to accurately describe the effects of MAPE addition. The mechanism of formation of the Model I interface and the integrated matrix is outlined based on the chemical reactions that may occur between the various components as a result of hydrogen bond formation or based on the principle of compatibility, resulting from similar polarity. The Model I fracture occurred on the outer surface of the interfacial layer, visually demonstrating the compatibilization effect of MAPE addition.

  17. Unfolding the laws of star formation: the density distribution of molecular clouds.

    PubMed

    Kainulainen, Jouni; Federrath, Christoph; Henning, Thomas

    2014-04-11

    The formation of stars shapes the structure and evolution of entire galaxies. The rate and efficiency of this process are affected substantially by the density structure of the individual molecular clouds in which stars form. The most fundamental measure of this structure is the probability density function of volume densities (ρ-PDF), which determines the star formation rates predicted with analytical models. This function has remained unconstrained by observations. We have developed an approach to quantify ρ-PDFs and establish their relation to star formation. The ρ-PDFs instigate a density threshold of star formation and allow us to quantify the star formation efficiency above it. The ρ-PDFs provide new constraints for star formation theories and correctly predict several key properties of the star-forming interstellar medium.

  18. Self-cleaning and antibiofouling enamel surface by slippery liquid-infused technique

    NASA Astrophysics Data System (ADS)

    Yin, Jiali; Mei, May Lei; Li, Quanli; Xia, Rong; Zhang, Zhihong; Chu, Chun Hung

    2016-05-01

    We aimed to create a slippery liquid-infused enamel surface with antibiofouling property to prevent dental biofilm/plaque formation. First, a micro/nanoporous enamel surface was obtained by 37% phosphoric acid etching. The surface was then functionalized by hydrophobic low-surface energy heptadecafluoro-1,1,2,2-tetra- hydrodecyltrichlorosilane. Subsequent infusion of fluorocarbon lubricants (Fluorinert FC-70) into the polyfluoroalkyl-silanized rough surface resulted in an enamel surface with slippery liquid-infused porous surface (SLIPS). The results of water contact angle measurement, diffuse-reflectance Fourier transform infrared spectroscopy, and atomic force microscope confirmed that the SLIPS was successfully constructed on the enamel surface. The antibiofouling property of the SLIPS was evaluated by the adsorption of salivary protein of mucin and Streptococcus mutans in vitro, as well as dental biofilm formation using a rabbit model in vivo. The results showed that the SLIPS on the enamel surface significantly inhibited mucin adhesion and S. mutans biofilm formation in vitro, and inhibited dental plaque formation in vivo.

  19. Rare earth substitutional impurities in germanium: A hybrid density functional theory study

    NASA Astrophysics Data System (ADS)

    Igumbor, E.; Omotoso, E.; Tunhuma, S. M.; Danga, H. T.; Meyer, W. E.

    2017-10-01

    The Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional by means of density functional theory has been used to model the electronic and structural properties of rare earth (RE) substitutional impurities in germanium (REGe) . The formation and charge state transition energies for the REGe (RE = Ce, Pr, Er and Eu) were calculated. The energy of formation for the neutral charge state of the REGe lies between -0.14 and 3.13 eV. The formation energy result shows that the Pr dopant in Ge (PrGe) has the lowest formation energy of -0.14 eV, and is most energetically favourable under equilibrium conditions. The REGe induced charge state transition levels within the band gap of Ge. Shallow acceptor levels were induced by both the Eu (EuGe) and Pr (PrGe) dopants in Ge. The CeGe and ErGe exhibited properties of negative-U ordering with effective-U values of -0.85 and -1.07 eV, respectively.

  20. Properties of the outer regions of spiral disks: abundances, colors and ages

    NASA Astrophysics Data System (ADS)

    Mollá, Mercedes; Díaz, Angeles I.; Gibson, Brad K.; Cavichia, Oscar; López-Sánchez, Ángel-R.

    2017-03-01

    We summarize the results obtained from our suite of chemical evolution models for spiral disks, computed for different total masses and star formation efficiencies. Once the gas, stars and star formation radial distributions are reproduced, we analyze the Oxygen abundances radial profiles for gas and stars, in addition to stellar averaged ages and global metallicity. We examine scenarios for the potential origin of the apparent flattening of abundance gradients in the outskirts of disk galaxies, in particular the role of molecular gas formation prescriptions.

  1. Geometric Modeling of Construction Communications with Specified Dynamic Properties

    NASA Astrophysics Data System (ADS)

    Korotkiy, V. A.; Usmanova, E. A.; Khmarova, L. I.

    2017-11-01

    Among many construction communications the pipelines designed for the organized supply or removal of liquid or loose working bodies are distinguished for their functional purpose. Such communications should have dynamic properties which allow one to reduce losses on friction and vortex formation. From the point of view of geometric modeling, the given dynamic properties of the projected communication mean the required degree of smoothness of its center line. To model the axial line (flat or spatial), it is proposed to use composite curve lines consisting of the curve arcs of the second order or from their quadratic images. The advantage of the proposed method is that the designer gets the model of a given curve not as a set of coordinates of its points but in the form of a matrix of coefficients of the canonical equations for each arc.

  2. Numerical modeling of experimental observations on gas formation and multi-phase flow of carbon dioxide in subsurface formations

    NASA Astrophysics Data System (ADS)

    Pawar, R.; Dash, Z.; Sakaki, T.; Plampin, M. R.; Lassen, R. N.; Illangasekare, T. H.; Zyvoloski, G.

    2011-12-01

    One of the concerns related to geologic CO2 sequestration is potential leakage of CO2 and its subsequent migration to shallow groundwater resources leading to geochemical impacts. Developing approaches to monitor CO2 migration in shallow aquifer and mitigate leakage impacts will require improving our understanding of gas phase formation and multi-phase flow subsequent to CO2 leakage in shallow aquifers. We are utilizing an integrated approach combining laboratory experiments and numerical simulations to characterize the multi-phase flow of CO2 in shallow aquifers. The laboratory experiments involve a series of highly controlled experiments in which CO2 dissolved water is injected in homogeneous and heterogeneous soil columns and tanks. The experimental results are used to study the effects of soil properties, temperature, pressure gradients and heterogeneities on gas formation and migration. We utilize the Finite Element Heat and Mass (FEHM) simulator (Zyvoloski et al, 2010) to numerically model the experimental results. The numerical models capture the physics of CO2 exsolution, multi-phase fluid flow as well as sand heterogeneity. Experimental observations of pressure, temperature and gas saturations are used to develop and constrain conceptual models for CO2 gas-phase formation and multi-phase CO2 flow in porous media. This talk will provide details of development of conceptual models based on experimental observation, development of numerical models for laboratory experiments and modelling results.

  3. Statistical mechanical estimation of the free energy of formation of E. coli biomass for use with macroscopic bioreactor balances.

    PubMed

    Grosz, R; Stephanopoulos, G

    1983-09-01

    The need for the determination of the free energy of formation of biomass in bioreactor second law balances is well established. A statistical mechanical method for the calculation of the free energy of formation of E. coli biomass is introduced. In this method, biomass is modelled to consist of a system of biopolymer networks. The partition function of this system is proposed to consist of acoustic and optical modes of vibration. Acoustic modes are described by Tarasov's model, the parameters of which are evaluated with the aid of low-temperature calorimetric data for the crystalline protein bovine chymotrypsinogen A. The optical modes are described by considering the low-temperature thermodynamic properties of biological monomer crystals such as amino acid crystals. Upper and lower bounds are placed on the entropy to establish the maximum error associated with the statistical method. The upper bound is determined by endowing the monomers in biomass with ideal gas properties. The lower bound is obtained by limiting the monomers to complete immobility. On this basis, the free energy of formation is fixed to within 10%. Proposals are made with regard to experimental verification of the calculated value and extension of the calculation to other types of biomass.

  4. Simulating the impact of dust cooling on the statistical properties of the intra-cluster medium

    NASA Astrophysics Data System (ADS)

    Pointecouteau, Etienne; da Silva, Antonio; Catalano, Andrea; Montier, Ludovic; Lanoux, Joseph; Roncarelli, Mauro; Giard, Martin

    2009-08-01

    From the first stages of star and galaxy formation, non-gravitational processes such as ram pressure stripping, SNs, galactic winds, AGNs, galaxy-galaxy mergers, etc. lead to the enrichment of the IGM in stars, metals as well as dust, via the ejection of galactic material into the IGM. We know now that these processes shape, side by side with gravitation, the formation and the evolution of structures. We present here hydrodynamic simulations of structure formation implementing the effect of the cooling by dust on large scale structure formation. We focus on the scale of galaxy clusters and study the statistical properties of clusters. Here, we present our results on the TX-M and the LX-M scaling relations which exhibit changes on both the slope and normalization when adding cooling by dust to the standard radiative cooling model. For example, the normalization of the TX-M relation changes only by a maximum of 2% at M=1014M⊙ whereas the normalization of the LX-TX changes by as much as 10% at TX=1keV for models that including dust cooling. Our study shows that the dust is an added non-gravitational process that contributes shaping the thermodynamical state of the hot ICM gas.

  5. STAR FORMATION IN DISK GALAXIES. III. DOES STELLAR FEEDBACK RESULT IN CLOUD DEATH?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tasker, Elizabeth J.; Wadsley, James; Pudritz, Ralph

    2015-03-01

    Stellar feedback, star formation, and gravitational interactions are major controlling forces in the evolution of giant molecular clouds (GMCs). To explore their relative roles, we examine the properties and evolution of GMCs forming in an isolated galactic disk simulation that includes both localized thermal feedback and photoelectric heating. The results are compared with the three previous simulations in this series, which consists of a model with no star formation, star formation but no form of feedback, and star formation with photoelectric heating in a set with steadily increasing physical effects. We find that the addition of localized thermal feedback greatlymore » suppresses star formation but does not destroy the surrounding GMC, giving cloud properties closely resembling the run in which no stellar physics is included. The outflows from the feedback reduce the mass of the cloud but do not destroy it, allowing the cloud to survive its stellar children. This suggests that weak thermal feedback such as the lower bound expected for a supernova may play a relatively minor role in the galactic structure of quiescent Milky-Way-type galaxies, compared to gravitational interactions and disk shear.« less

  6. Studies of Planet Formation Using a Hybrid N-Body + Planetesimal Code

    NASA Technical Reports Server (NTRS)

    Kenyon, Scott J.

    2004-01-01

    The goal of our proposal was to use a hybrid multi-annulus planetesimal/n-body code to examine the planetesimal theory, one of the two main theories of planet formation. We developed this code to follow the evolution of numerous 1 m to 1 km planetesimals as they collide, merge, and grow into full-fledged planets. Our goal was to apply the code to several well-posed, topical problems in planet formation and to derive observational consequences of the models. We planned to construct detailed models to address two fundamental issues: (1) icy planets: models for icy planet formation will demonstrate how the physical properties of debris disks - including the Kuiper Belt in our solar system - depend on initial conditions and input physics; and (2) terrestrial planets: calculations following the evolution of 1-10 km planetesimals into Earth-mass planets and rings of dust will provide a better understanding of how terrestrial planets form and interact with their environment.

  7. A computational modeling approach for the characterization of mechanical properties of 3D alginate tissue scaffolds.

    PubMed

    Nair, K; Yan, K C; Sun, W

    2008-01-01

    Scaffold guided tissue engineering is an innovative approach wherein cells are seeded onto biocompatible and biodegradable materials to form 3-dimensional (3D) constructs that, when implanted in the body facilitate the regeneration of tissue. Tissue scaffolds act as artificial extracellular matrix providing the environment conducive for tissue growth. Characterization of scaffold properties is necessary to understand better the underlying processes involved in controlling cell behavior and formation of functional tissue. We report a computational modeling approach to characterize mechanical properties of 3D gellike biomaterial, specifically, 3D alginate scaffold encapsulated with cells. Alginate inherent nonlinearity and variations arising from minute changes in its concentration and viscosity make experimental evaluation of its mechanical properties a challenging and time consuming task. We developed an in silico model to determine the stress-strain relationship of alginate based scaffolds from experimental data. In particular, we compared the Ogden hyperelastic model to other hyperelastic material models and determined that this model was the most suitable to characterize the nonlinear behavior of alginate. We further propose a mathematical model that represents the alginate material constants in Ogden model as a function of concentrations and viscosity. This study demonstrates the model capability to predict mechanical properties of 3D alginate scaffolds.

  8. HOW GALACTIC ENVIRONMENT REGULATES STAR FORMATION

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Meidt, Sharon E.

    2016-02-10

    In a new simple model I reconcile two contradictory views on the factors that determine the rate at which molecular clouds form stars—internal structure versus external, environmental influences—providing a unified picture for the regulation of star formation in galaxies. In the presence of external pressure, the pressure gradient set up within a self-gravitating turbulent (isothermal) cloud leads to a non-uniform density distribution. Thus the local environment of a cloud influences its internal structure. In the simple equilibrium model, the fraction of gas at high density in the cloud interior is determined simply by the cloud surface density, which is itselfmore » inherited from the pressure in the immediate surroundings. This idea is tested using measurements of the properties of local clouds, which are found to show remarkable agreement with the simple equilibrium model. The model also naturally predicts the star formation relation observed on cloud scales and at the same time provides a mapping between this relation and the closer-to-linear molecular star formation relation measured on larger scales in galaxies. The key is that pressure regulates not only the molecular content of the ISM but also the cloud surface density. I provide a straightforward prescription for the pressure regulation of star formation that can be directly implemented in numerical models. Predictions for the dense gas fraction and star formation efficiency measured on large-scales within galaxies are also presented, establishing the basis for a new picture of star formation regulated by galactic environment.« less

  9. STAR FORMATION IN ULTRA-FAINT DWARFS: CONTINUOUS OR SINGLE-AGE BURSTS?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Webster, David; Bland-Hawthorn, Joss; Sutherland, Ralph, E-mail: d.webster@physics.usyd.edu.au

    2015-01-30

    We model the chemical evolution of six ultra-faint dwarfs (UFDs): Bootes I, Canes Venatici II, Coma Berenices, Hercules, Leo IV, and Ursa Major I based on their recently determined star formation histories. We show that two single-age bursts cannot explain the observed [α/Fe] versus [Fe/H] distribution in these galaxies and that some self-enrichment is required within the first burst. An alternative scenario is modeled, in which star formation is continuous except for short interruptions when one or more supernovae temporarily blow the dense gas out from the center of the system. This model allows for self-enrichment and can reproduce themore » chemical abundances of the UFDs in which the second burst is only a trace population. We conclude that the most likely star formation history is one or two extended periods of star formation, with the first burst lasting for at least 100 Myr. As found in earlier work, the observed properties of UFDs can be explained by formation at a low mass (M{sub vir}∼10{sup 7} M{sub ⊙}), rather than being stripped remnants of much larger systems.« less

  10. 3-D Structure of Molecules of Biological Significance

    ERIC Educational Resources Information Center

    Bennett, Alice S.; Schwenk, Karl

    1974-01-01

    Describes how to use the distinctive properties of osazone formation in conjunction with molecular model construction to demonstrate the relationship between the three-dimensional structures of simple sugars and the shapes of crystals they form. (BR)

  11. Experimental and Molecular Modeling Evaluation of the Physicochemical Properties of Proline-Based Deep Eutectic Solvents.

    PubMed

    van den Bruinhorst, Adriaan; Spyriouni, Theodora; Hill, Jörg-Rüdiger; Kroon, Maaike C

    2018-01-11

    The liquid range and applicability of deep eutectic solvents (DESs) are determined by their physicochemical properties. In this work, the physicochemical properties of glycolic acid:proline and malic acid:proline were evaluated experimentally and with MD simulations at five different ratios. Both DESs exhibited esterification upon preparation, which affected the viscosity in particular. In order to minimize oligomer formation and water release, three different experimental preparation methods were explored, but none could prevent esterification. The experimental and calculated densities of the DESs were found to be in good agreement. The measured and modeled glass transition temperature showed similar trends with composition, as did the experimental viscosity and the calculated diffusivities. The MD simulations provided additional insight at the atomistic level, showing that at acid-rich compositions, the acid-acid hydrogen bonding (HB) interactions prevail. Malic acid-based DESs show stronger acid-acid HB interactions than glycolic acid-based ones, possibly explaining its extreme viscosity. Upon the addition of proline, the interspecies interactions become predominant, confirming the formation of the widely assumed HB network between the DESs constituents in the liquid phase.

  12. Laboratory studies of monoterpene secondary organic aerosol formation and evolution

    NASA Astrophysics Data System (ADS)

    Thornton, J. A.; D'Ambro, E.; Zhao, Y.; Lee, B. H.; Pye, H. O. T.; Schobesberger, S.; Shilling, J.; Liu, J.

    2017-12-01

    We have conducted a series of chamber experiments to study the molecular composition and properties of secondary organic aerosol (SOA) formed from monoterpenes under a range of photochemical and dark conditions. We connect variations in the SOA mass yield to molecular composition and volatility, and use a detailed Master Chemical Mechanism (MCM) based chemical box model with dynamic gas-particle partitioning to examine the importance of various peroxy radical reaction mechanisms in setting the SOA yield and properties. We compare the volatility distribution predicted by the model to that inferred from isothermal room-temperature evaporation experiments using the FIGAERO-CIMS where SOA particles collected on a filter are allowed to evaporate under humidified pure nitrogen flow stream for up to 24 hours. We show that the combination of results requires prompt formation of low volatility SOA from predominantly gas-phase mechanisms, with important differences between monoterpenes (alpha-Pinene and delta-3-Carene) followed by slower non-radical particle phase chemistry that modulates both the chemical and physical properties of the SOA. Implications for the regional evolution of atmospheric monoterpene SOA are also discussed.

  13. Circulation of Heavy Ions and Their Dynamical Effects in the Magnetosphere: Recent Observations and Models

    NASA Astrophysics Data System (ADS)

    Kronberg, Elena A.; Ashour-Abdalla, Maha; Dandouras, Iannis; Delcourt, Dominique C.; Grigorenko, Elena E.; Kistler, Lynn M.; Kuzichev, Ilya V.; Liao, Jing; Maggiolo, Romain; Malova, Helmi V.; Orlova, Ksenia G.; Peroomian, Vahe; Shklyar, David R.; Shprits, Yuri Y.; Welling, Daniel T.; Zelenyi, Lev M.

    2014-11-01

    Knowledge of the ion composition in the near-Earth's magnetosphere and plasma sheet is essential for the understanding of magnetospheric processes and instabilities. The presence of heavy ions of ionospheric origin in the magnetosphere, in particular oxygen (O+), influences the plasma sheet bulk properties, current sheet (CS) thickness and its structure. It affects reconnection rates and the formation of Kelvin-Helmholtz instabilities. This has profound consequences for the global magnetospheric dynamics, including geomagnetic storms and substorm-like events. The formation and demise of the ring current and the radiation belts are also dependent on the presence of heavy ions. In this review we cover recent advances in observations and models of the circulation of heavy ions in the magnetosphere, considering sources, transport, acceleration, bulk properties, and the influence on the magnetospheric dynamics. We identify important open questions and promising avenues for future research.

  14. Mechanical Properties of a vdW molecular monolayer at a metal surface: Structural Polymorphism leading to facile compression

    NASA Astrophysics Data System (ADS)

    Sun, Dezheng; Kim, Daeho; Le, Duy; Borck, Øyvind; Berland, Kristian; Kim, Kwangmoo; Lu, Wenhao; Zhu, Yeming; Luo, Miaomiao; Wyrick, Jon; Cheng, Zhihai; Einstein, T. L.; Rahman, Talat; Hyldgaard, Per; Bartels, Ludwig

    2011-03-01

    Intermolecular force plays an important role in self-assembly and surface pattern formation. Anthracene and similar unsubstituted arenes attach to a metallic substrate predominantly through van der Waals interaction leading. In this contribution we present images how anthracene on Cu(111) forms a large number of highly ordered patterns that feature a broad array of structural motifs. Density functional theory modeling including vdW interactions allows us to model the energetic of the pattern formation at high fidelity. Moreover, it allows us to deduce the strain energy associated with films of varying coverage. From this work, we obtain the Young's modulus and Poisson Ratio of a molecular monolayer, which resemble properties conventionally found for porous materials. These patterns are in marked contrast to those found after introduction of functional groups in the molecules, such as carbonyls or thiols.

  15. Experiments and Modeling in Support of Generic Salt Repository Science

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bourret, Suzanne Michelle; Stauffer, Philip H.; Weaver, Douglas James

    Salt is an attractive material for the disposition of heat generating nuclear waste (HGNW) because of its self-sealing, viscoplastic, and reconsolidation properties (Hansen and Leigh, 2012). The rate at which salt consolidates and the properties of the consolidated salt depend on the composition of the salt, including its content in accessory minerals and moisture, and the temperature under which consolidation occurs. Physicochemical processes, such as mineral hydration/dehydration salt dissolution and precipitation play a significant role in defining the rate of salt structure changes. Understanding the behavior of these complex processes is paramount when considering safe design for disposal of heat-generatingmore » nuclear waste (HGNW) in salt formations, so experimentation and modeling is underway to characterize these processes. This report presents experiments and simulations in support of the DOE-NE Used Fuel Disposition Campaign (UFDC) for development of drift-scale, in-situ field testing of HGNW in salt formations.« less

  16. Model for interface formation and the resulting electrical properties for barium-strontium-titanate films on silicon

    NASA Astrophysics Data System (ADS)

    Mueller, A. H.; Suvorova, N. A.; Irene, E. A.; Auciello, O.; Schultz, J. A.

    2003-04-01

    The interface formation between sputtered barium strontium titanate (BST) films and both Si and SiO2 substrate surfaces has been followed using real-time spectroscopic ellipsometry and the mass spectrometry of recoiled ions. In both substrates an intermixed interface layer was observed and subcutaneous Si oxidation occurred. A model for the interface formation is proposed in which the interface includes an SiO2 film on Si, and an intermixed film on which is pure BST. During the deposition of BST the interfaces films were observed to change in time. Electrical characterization of the resulting metal-BST interface capacitors indicates that those samples with SiO2 on the Si surface had the best electrical characteristics.

  17. Recent advances in understanding secondary organic aerosol: Implications for global climate forcing: Advances in Secondary Organic Aerosol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shrivastava, Manish; Cappa, Christopher D.; Fan, Jiwen

    Anthropogenic emissions and land use changes have modified atmospheric aerosol concentrations and size distributions over time. Understanding preindustrial conditions and changes in organic aerosol due to anthropogenic activities is important because these features (1) influence estimates of aerosol radiative forcing and (2) can confound estimates of the historical response of climate to increases in greenhouse gases. Secondary organic aerosol (SOA), formed in the atmosphere by oxidation of organic gases, represents a major fraction of global submicron-sized atmospheric organic aerosol. Over the past decade, significant advances in understanding SOA properties and formation mechanisms have occurred through measurements, yet current climate modelsmore » typically do not comprehensively include all important processes. Our review summarizes some of the important developments during the past decade in understanding SOA formation. We also highlight the importance of some processes that influence the growth of SOA particles to sizes relevant for clouds and radiative forcing, including formation of extremely low volatility organics in the gas phase, acid-catalyzed multiphase chemistry of isoprene epoxydiols, particle-phase oligomerization, and physical properties such as volatility and viscosity. Several SOA processes highlighted in this review are complex and interdependent and have nonlinear effects on the properties, formation, and evolution of SOA. Current global models neglect this complexity and nonlinearity and thus are less likely to accurately predict the climate forcing of SOA and project future climate sensitivity to greenhouse gases. Efforts are also needed to rank the most influential processes and nonlinear process-related interactions, so that these processes can be accurately represented in atmospheric chemistry-climate models.« less

  18. Recent advances in understanding secondary organic aerosol: Implications for global climate forcing: Advances in Secondary Organic Aerosol

    DOE PAGES

    Shrivastava, Manish; Cappa, Christopher D.; Fan, Jiwen; ...

    2017-06-15

    Anthropogenic emissions and land use changes have modified atmospheric aerosol concentrations and size distributions over time. Understanding preindustrial conditions and changes in organic aerosol due to anthropogenic activities is important because these features (1) influence estimates of aerosol radiative forcing and (2) can confound estimates of the historical response of climate to increases in greenhouse gases. Secondary organic aerosol (SOA), formed in the atmosphere by oxidation of organic gases, represents a major fraction of global submicron-sized atmospheric organic aerosol. Over the past decade, significant advances in understanding SOA properties and formation mechanisms have occurred through measurements, yet current climate modelsmore » typically do not comprehensively include all important processes. Our review summarizes some of the important developments during the past decade in understanding SOA formation. We also highlight the importance of some processes that influence the growth of SOA particles to sizes relevant for clouds and radiative forcing, including formation of extremely low volatility organics in the gas phase, acid-catalyzed multiphase chemistry of isoprene epoxydiols, particle-phase oligomerization, and physical properties such as volatility and viscosity. Several SOA processes highlighted in this review are complex and interdependent and have nonlinear effects on the properties, formation, and evolution of SOA. Current global models neglect this complexity and nonlinearity and thus are less likely to accurately predict the climate forcing of SOA and project future climate sensitivity to greenhouse gases. Efforts are also needed to rank the most influential processes and nonlinear process-related interactions, so that these processes can be accurately represented in atmospheric chemistry-climate models.« less

  19. LASERS IN MEDICINE: Laser diagnostics of biofractals

    NASA Astrophysics Data System (ADS)

    Ushenko, A. G.

    1999-12-01

    An optical approach to the problem of modelling and diagnostics of the structures of biofractal formations was considered in relation to human bone tissue. A model was proposed for the optical properties of this tissue, including three levels of fractal organisation: microcrystalline, macrocrystalline, and architectural. The studies were based on laser coherent polarimetry ensuring the retrieval of the fullest information about the optical and polarisation properties of bone tissue. A method was developed for contactless noninvasive diagnostics of the orientational and mineralogical structure of bone tissue considered as a biofractal.

  20. Comet formation

    NASA Astrophysics Data System (ADS)

    Blum, J.

    2014-07-01

    There has been vast progress in our understanding of planetesimal formation over the past decades, owing to a number of laboratory experiments as well as to refined models of dust and ice agglomeration in protoplanetary disks. Coagulation rapidly forms cm-sized ''pebbles'' by direct sticking in collisions at low velocities (Güttler et al. 2010; Zsom et al. 2010). For the further growth, two model approaches are currently being discussed: (1) Local concentration of pebbles in nebular instabilities until gravitational instability occurs (Johansen et al. 2007). (2) A competition between fragmentation and mass transfer in collisions among the dusty bodies, in which a few ''lucky winners'' make it to planetesimal sizes (Windmark et al. 2012a,b; Garaud et al. 2013). Predictions of the physical properties of the resulting bodies in both models allow a distinction of the two formation scenarios of planetesimals. In particular, the tensile strength (i.e, the inner cohesion) of the planetesimals differ widely between the two models (Skorov & Blum 2012; Blum et al. 2014). While model (1) predicts tensile strengths on the order of ˜ 1 Pa, model (2) results in rather compactified dusty bodies with tensile strengths in the kPa regime. If comets are km-sized survivors of the planetesimal-formation era, they should in principle hold the secret of their formation process. Water ice is the prime volatile responsible for the activity of comets. Thermophysical models of the heat and mass transport close to the comet-nucleus surface predict water-ice sublimation temperatures that relate to maximum sublimation pressures well below the kPa regime predicted for formation scenario (2). Model (1), however, is in agreement with the observed dust and gas activity of comets. Thus, a formation scenario for cometesimals involving gravitational instability is favored (Blum et al. 2014).

  1. Integrating surface and borehole geophysics in ground water studies - an example using electromagnetic soundings in south Florida

    USGS Publications Warehouse

    Paillet, Frederick; Hite, Laura; Carlson, Matthew

    1999-01-01

    Time domain surface electromagnetic soundings, borehole induction logs, and other borehole logging techniques are used to construct a realistic model for the shallow subsurface hydraulic properties of unconsolidated sediments in south Florida. Induction logs are used to calibrate surface induction soundings in units of pore water salinity by correlating water sample specific electrical conductivity with the electrical conductivity of the formation over the sampled interval for a two‐layered aquifer model. Geophysical logs are also used to show that a constant conductivity layer model is appropriate for the south Florida study. Several physically independent log measurements are used to quantify the dependence of formation electrical conductivity on such parameters as salinity, permeability, and clay mineral fraction. The combined interpretation of electromagnetic soundings and induction logs was verified by logging three validation boreholes, confirming quantitative estimates of formation conductivity and thickness in the upper model layer, and qualitative estimates of conductivity in the lower model layer.

  2. A network model for biofilm development in Escherichia coli K-12.

    PubMed

    Shalá, Andrew A; Restrepo, Silvia; González Barrios, Andrés F

    2011-09-22

    In nature, bacteria often exist as biofilms. Biofilms are communities of microorganisms attached to a surface. It is clear that biofilm-grown cells harbor properties remarkably distinct from planktonic cells. Biofilms frequently complicate treatments of infections by protecting bacteria from the immune system, decreasing antibiotic efficacy and dispersing planktonic cells to distant body sites. In this work, we employed enhanced Boolean algebra to model biofilm formation. The network obtained describes biofilm formation successfully, assuming - in accordance with the literature - that when the negative regulators (RscCD and EnvZ/OmpR) are off, the positive regulator (FlhDC) is on. The network was modeled under three different conditions through time with satisfactory outcomes. Each cluster was constructed using the K-means/medians Clustering Support algorithm on the basis of published Affymetrix microarray gene expression data from biofilm-forming bacteria and the planktonic state over four time points for Escherichia coli K-12. The different phenotypes obtained demonstrate that the network model of biofilm formation can simulate the formation or repression of biofilm efficiently in E. coli K-12.

  3. Physical properties, vitrinite reflectance, and microstructure of coal, Taiyuan Formation, Qinshui Basin, China

    NASA Astrophysics Data System (ADS)

    Li, Qiong; Chen, Jie; He, Jian-Jun

    2017-12-01

    In this study, we experimentally established the relationship between physical properties, vitrinite reflectance, and microstructure of coal, Taiyuan Formation, Qinshui Basin, China using representative coal samples collected from three different mines via the rock mechanics testing system (MTS). We analyzed the organic macerals, vitrinite reflectance, and microstructure of 11 coal samples using petrography and scanning electron microscopy (SEM). The experimental results suggest that (1) the elastic parameters can be described by linear equations, (2) both P-and S-wave velocities display anisotropy, (3) the anisotropy negatively correlates with vitrinite reflectance, and (4) the acoustic velocities and Young's modulus are negatively correlated with the volume of micropores. The derived empirical equations can be used in the forward modeling and seismic inversion of physical properties of coal for improving the coal-bed methane (CBM) reservoir characterization.

  4. Predicting Reactive Intermediate Quantum Yields from Dissolved Organic Matter Photolysis Using Optical Properties and Antioxidant Capacity.

    PubMed

    Mckay, Garrett; Huang, Wenxi; Romera-Castillo, Cristina; Crouch, Jenna E; Rosario-Ortiz, Fernando L; Jaffé, Rudolf

    2017-05-16

    The antioxidant capacity and formation of photochemically produced reactive intermediates (RI) was studied for water samples collected from the Florida Everglades with different spatial (marsh versus estuarine) and temporal (wet versus dry season) characteristics. Measured RI included triplet excited states of dissolved organic matter ( 3 DOM*), singlet oxygen ( 1 O 2 ), and the hydroxyl radical ( • OH). Single and multiple linear regression modeling were performed using a broad range of extrinsic (to predict RI formation rates, R RI ) and intrinsic (to predict RI quantum yields, Φ RI ) parameters. Multiple linear regression models consistently led to better predictions of R RI and Φ RI for our data set but poor prediction of Φ RI for a previously published data set,1 probably because the predictors are intercorrelated (Pearson's r > 0.5). Single linear regression models were built with data compiled from previously published studies (n ≈ 120) in which E2:E3, S, and Φ RI values were measured, which revealed a high degree of similarity between RI-optical property relationships across DOM samples of diverse sources. This study reveals that • OH formation is, in general, decoupled from 3 DOM* and 1 O 2 formation, providing supporting evidence that 3 DOM* is not a • OH precursor. Finally, Φ RI for 1 O 2 and 3 DOM* correlated negatively with antioxidant activity (a surrogate for electron donating capacity) for the collected samples, which is consistent with intramolecular oxidation of DOM moieties by 3 DOM*.

  5. Predicting total organic halide formation from drinking water chlorination using quantitative structure-property relationships.

    PubMed

    Luilo, G B; Cabaniss, S E

    2011-10-01

    Chlorinating water which contains dissolved organic matter (DOM) produces disinfection byproducts, the majority of unknown structure. Hence, the total organic halide (TOX) measurement is used as a surrogate for toxic disinfection byproducts. This work derives a robust quantitative structure-property relationship (QSPR) for predicting the TOX formation potential of model compounds. Literature data for 49 compounds were used to train the QSPR in moles of chlorine per mole of compound (Cp) (mol-Cl/mol-Cp). The resulting QSPR has four descriptors, calibration [Formula: see text] of 0.72 and standard deviation of estimation of 0.43 mol-Cl/mol-Cp. Internal and external validation indicate that the QSPR has good predictive power and low bias (‰<‰1%). Applying this QSPR to predict TOX formation by DOM surrogates - tannic acid, two model fulvic acids and two agent-based model assemblages - gave a predicted TOX range of 136-184 µg-Cl/mg-C, consistent with experimental data for DOM, which ranged from 78 to 192 µg-Cl/mg-C. However, the limited structural variation in the training data may limit QSPR applicability; studies of more sulfur-containing compounds, heterocyclic compounds and high molecular weight compounds could lead to a more widely applicable QSPR.

  6. Formation and Assembly of Massive Star Clusters

    NASA Astrophysics Data System (ADS)

    McMillan, Stephen

    The formation of stars and star clusters is a major unresolved problem in astrophysics. It is central to modeling stellar populations and understanding galaxy luminosity distributions in cosmological models. Young massive clusters are major components of starburst galaxies, while globular clusters are cornerstones of the cosmic distance scale and represent vital laboratories for studies of stellar dynamics and stellar evolution. Yet how these clusters form and how rapidly and efficiently they expel their natal gas remain unclear, as do the consequences of this gas expulsion for cluster structure and survival. Also unclear is how the properties of low-mass clusters, which form from small-scale instabilities in galactic disks and inform much of our understanding of cluster formation and star-formation efficiency, differ from those of more massive clusters, which probably formed in starburst events driven by fast accretion at high redshift, or colliding gas flows in merging galaxies. Modeling cluster formation requires simulating many simultaneous physical processes, placing stringent demands on both software and hardware. Simulations of galaxies evolving in cosmological contexts usually lack the numerical resolution to simulate star formation in detail. They do not include detailed treatments of important physical effects such as magnetic fields, radiation pressure, ionization, and supernova feedback. Simulations of smaller clusters include these effects, but fall far short of the mass of even single young globular clusters. With major advances in computing power and software, we can now directly address this problem. We propose to model the formation of massive star clusters by integrating the FLASH adaptive mesh refinement magnetohydrodynamics (MHD) code into the Astrophysical Multi-purpose Software Environment (AMUSE) framework, to work with existing stellar-dynamical and stellar evolution modules in AMUSE. All software will be freely distributed on-line, allowing open access to state-of- the-art simulation techniques within a modern, modular software environment. We will follow the gravitational collapse of 0.1-10 million-solar mass gas clouds through star formation and coalescence into a star cluster, modeling in detail the coupling of the gas and the newborn stars. We will study the effects of star formation by detecting accreting regions of gas in self-gravitating, turbulent, MHD, FLASH models that we will translate into collisional dynamical systems of stars modeled with an N-body code, coupled together in the AMUSE framework. Our FLASH models will include treatments of radiative transfer from the newly formed stars, including heating and radiative acceleration of the surrounding gas. Specific questions to be addressed are: (1) How efficiently does the gas in a star forming region form stars, how does this depend on mass, metallicity, and other parameters, and what terminates star formation? What observational predictions can be made to constrain our models? (2) How important are different mechanisms for driving turbulence and removing gas from a cluster: accretion, radiative feedback, and mechanical feedback? (3) How does the infant mortality rate of young clusters depend on the initial properties of the parent cloud? (4) What are the characteristic formation timescales of massive star clusters, and what observable imprints does the assembly process leave on their structure at an age of 10-20 Myr, when formation is essentially complete and many clusters can be observed? These studies are directly relevant to NASA missions at many electromagnetic wavelengths, including Chandra, GALEX, Hubble, and Spitzer. Each traces different aspects of cluster formation and evolution: X-rays trace supernovae, ultraviolet traces young stars, visible colors can distinguish between young blue stars and older red stars, and the infrared directly shows young embedded star clusters.

  7. Three-dimensional modeling of the Ca II H and K lines in the solar atmosphere

    NASA Astrophysics Data System (ADS)

    Bjørgen, Johan P.; Sukhorukov, Andrii V.; Leenaarts, Jorrit; Carlsson, Mats; de la Cruz Rodríguez, Jaime; Scharmer, Göran B.; Hansteen, Viggo H.

    2018-03-01

    Context. CHROMIS, a new imaging spectrometer at the Swedish 1-m Solar Telescope (SST), can observe the chromosphere in the H and K lines of Ca II at high spatial and spectral resolution. Accurate modeling as well as an understanding of the formation of these lines are needed to interpret the SST/CHROMIS observations. Such modeling is computationally challenging because these lines are influenced by strong departures from local thermodynamic equilibrium, three-dimensional radiative transfer, and partially coherent resonance scattering of photons. Aim. We aim to model the Ca II H and K lines in 3D model atmospheres to understand their formation and to investigate their diagnostic potential for probing the chromosphere. Methods: We model the synthetic spectrum of Ca II using the radiative transfer code Multi3D in three different radiation-magnetohydrodynamic model atmospheres computed with the Bifrost code. We classify synthetic intensity profiles according to their shapes and study how their features are related to the physical properties in the model atmospheres. We investigate whether the synthetic data reproduce the observed spatially-averaged line shapes, center-to-limb variation and compare this data with SST/CHROMIS images. Results: The spatially-averaged synthetic line profiles show too low central emission peaks, and too small separation between the peaks. The trends of the observed center-to-limb variation of the profiles properties are reproduced by the models. The Ca II H and K line profiles provide a temperature diagnostic of the temperature minimum and the temperature at the formation height of the emission peaks. The Doppler shift of the central depression is an excellent probe of the velocity in the upper chromosphere.

  8. Mesoscale Eddy Activity and Transport in the Atlantic Water Inflow Region North of Svalbard

    NASA Astrophysics Data System (ADS)

    Crews, L.; Sundfjord, A.; Albretsen, J.; Hattermann, T.

    2018-01-01

    Mesoscale eddies are known to transport heat and biogeochemical properties from Arctic Ocean boundary currents to basin interiors. Previous hydrographic surveys and model results suggest that eddy formation may be common in the Atlantic Water (AW) inflow area north of Svalbard, but no quantitative eddy survey has yet been done for the region. Here vorticity and water property signatures are used to identify and track AW eddies in an eddy-resolving sea ice-ocean model. The boundary current sheds AW eddies along most of the length of the continental slope considered, from the western Yermak Plateau to 40°E, though eddies forming east of 20°E are likely more important for slope-to-basin transport. Eddy formation seasonality reflects seasonal stability properties of the boundary current in the eastern portion of the study domain, but on and immediately east of the Yermak Plateau enhanced eddy formation during summer merits further investigation. AW eddies tend to be anticyclonic, have radii close to the local deformation radius, and be centered in the halocline. They transport roughly 0.16 Sv of AW and, due to their warm cores, 1.0 TW away from the boundary current. These findings suggest eddies may be important for halocline ventilation in the Eurasian Basin, as has been shown for Pacific Water eddies in the Canadian Basin.

  9. Dark-ages Reionization and Galaxy Formation Simulation - XIV. Gas accretion, cooling, and star formation in dwarf galaxies at high redshift

    NASA Astrophysics Data System (ADS)

    Qin, Yuxiang; Duffy, Alan R.; Mutch, Simon J.; Poole, Gregory B.; Geil, Paul M.; Mesinger, Andrei; Wyithe, J. Stuart B.

    2018-06-01

    We study dwarf galaxy formation at high redshift (z ≥ 5) using a suite of high-resolution, cosmological hydrodynamic simulations and a semi-analytic model (SAM). We focus on gas accretion, cooling, and star formation in this work by isolating the relevant process from reionization and supernova feedback, which will be further discussed in a companion paper. We apply the SAM to halo merger trees constructed from a collisionless N-body simulation sharing identical initial conditions to the hydrodynamic suite, and calibrate the free parameters against the stellar mass function predicted by the hydrodynamic simulations at z = 5. By making comparisons of the star formation history and gas components calculated by the two modelling techniques, we find that semi-analytic prescriptions that are commonly adopted in the literature of low-redshift galaxy formation do not accurately represent dwarf galaxy properties in the hydrodynamic simulation at earlier times. We propose three modifications to SAMs that will provide more accurate high-redshift simulations. These include (1) the halo mass and baryon fraction which are overestimated by collisionless N-body simulations; (2) the star formation efficiency which follows a different cosmic evolutionary path from the hydrodynamic simulation; and (3) the cooling rate which is not well defined for dwarf galaxies at high redshift. Accurate semi-analytic modelling of dwarf galaxy formation informed by detailed hydrodynamical modelling will facilitate reliable semi-analytic predictions over the large volumes needed for the study of reionization.

  10. PHAT+MaNGA: Using resolved stellar populations to improve the recovery of star formation histories from galaxy spectra

    NASA Astrophysics Data System (ADS)

    Byler, Nell

    2017-08-01

    Stellar Population Synthesis (SPS) models are routinely used to interpret extragalactic observations at all redshifts. Currently, the dominant source of uncertainty in SPS modeling lies in the degeneracies associated with synthesizing and fitting complex stellar populations to observed galaxy spectra. To remedy this, we propose an empirical calibration of SPS models using resolved stellar population observations from Hubble Space Telescope (HST) to constrain the stellar masses, ages, and star formation histories (SFHs) in regions matched to 2D spectroscopic observations from MaNGA. We will take advantage of the state of the art observations from the Panchromatic Hubble Andromeda Treasury (PHAT), which maps the dust content, history of chemical enrichment, and history of star formation across the disk of M31 in exquisite detail. Recently, we have coupled these observations with an unprecedented, spatially-resolved suite of IFU observations from MaNGA. With these two comprehensive data sets we can use the true underlying stellar properties from PHAT to properly interpret the aperture-matched integrated spectra from MaNGA. Our MaNGA observations target 20 regions within the PHAT footprint that fully sample the available range in metallicity, SFR, dust content, and stellar density. This transformative dataset will establish a comprehensive link between resolved stellar populations and the inferred properties of unresolved stellar populations across astrophysically important environments. The net data product will be a library of galaxy spectra matched to the true underlying stellar properties, a comparison set that has lasting legacy value for the extragalactic community.

  11. Generative Models in Deep Learning: Constraints for Galaxy Evolution

    NASA Astrophysics Data System (ADS)

    Turp, Maximilian Dennis; Schawinski, Kevin; Zhang, Ce; Weigel, Anna K.

    2018-01-01

    New techniques are essential to make advances in the field of galaxy evolution. Recent developments in the field of artificial intelligence and machine learning have proven that these tools can be applied to problems far more complex than simple image recognition. We use these purely data driven approaches to investigate the process of star formation quenching. We show that Variational Autoencoders provide a powerful method to forward model the process of galaxy quenching. Our results imply that simple changes in specific star formation rate and bulge to disk ratio cannot fully describe the properties of the quenched population.

  12. The functional properties of chitosan-glucose-asparagine Maillard reaction products and mitigation of acrylamide formation by chitosans.

    PubMed

    Sung, Wen-Chieh; Chang, Yu-Wei; Chou, Yu-Hao; Hsiao, Hsin-I

    2018-03-15

    This research aims to clarify the interactions that occur in a food model system consisting of glucose, asparagine and chitosans. Low molecular weight chitosan exerted a potent inhibitory effect (46.8%) on acrylamide and Maillard reaction products (MRPs) (>52.6%), respectively. Compared to a previous study conducted using the fructose system, the novel findings of this research demonstrate that the formation of acrylamide and Maillard reaction products was lower with glucose than with fructose when they were used as reducing sugars in food model systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Frost formation on an airfoil: A mathematical model 1

    NASA Technical Reports Server (NTRS)

    Dietenberger, M.; Kumar, P.; Luers, J.

    1979-01-01

    A computer model to predict the frost formation process on a flat plate was developed for application to most environmental conditions under which frost occurs. The model was analytically based on a generalized frost thermal conductivity expression, on frost density and thickness rate equations, and on modified heat and mass transfer coefficients designed to fit the available experimental data. The broad experimental ranges reflected by the extremes in ambient humidities, wall temperatures, and convective flow properties in the various publications which were examined served to severely test the flexibility of the model. An efficient numerical integration scheme was developed to solve for the frost surface temperature, density, and thickness under the changing environmental conditions. The comparison of results with experimental data was very encouraging.

  14. Biases and systematics in the observational derivation of galaxy properties: comparing different techniques on synthetic observations of simulated galaxies

    NASA Astrophysics Data System (ADS)

    Guidi, Giovanni; Scannapieco, Cecilia; Walcher, C. Jakob

    2015-12-01

    We study the sources of biases and systematics in the derivation of galaxy properties from observational studies, focusing on stellar masses, star formation rates, gas and stellar metallicities, stellar ages, magnitudes and colours. We use hydrodynamical cosmological simulations of galaxy formation, for which the real quantities are known, and apply observational techniques to derive the observables. We also analyse biases that are relevant for a proper comparison between simulations and observations. For our study, we post-process the simulation outputs to calculate the galaxies' spectral energy distributions (SEDs) using stellar population synthesis models and also generate the fully consistent far-UV-submillimetre wavelength SEDs with the radiative transfer code SUNRISE. We compared the direct results of simulations with the observationally derived quantities obtained in various ways, and found that systematic differences in all studied galaxy properties appear, which are caused by: (1) purely observational biases, (2) the use of mass-weighted and luminosity-weighted quantities, with preferential sampling of more massive and luminous regions, (3) the different ways of constructing the template of models when a fit to the spectra is performed, and (4) variations due to different calibrations, most notably for gas metallicities and star formation rates. Our results show that large differences can appear depending on the technique used to derive galaxy properties. Understanding these differences is of primary importance both for simulators, to allow a better judgement of similarities and differences with observations, and for observers, to allow a proper interpretation of the data.

  15. Modeling Secondary Organic Aerosol Formation From Emissions of Combustion Sources

    NASA Astrophysics Data System (ADS)

    Jathar, Shantanu Hemant

    Atmospheric aerosols exert a large influence on the Earth's climate and cause adverse public health effects, reduced visibility and material degradation. Secondary organic aerosol (SOA), defined as the aerosol mass arising from the oxidation products of gas-phase organic species, accounts for a significant fraction of the submicron atmospheric aerosol mass. Yet, there are large uncertainties surrounding the sources, atmospheric evolution and properties of SOA. This thesis combines laboratory experiments, extensive data analysis and global modeling to investigate the contribution of semi-volatile and intermediate volatility organic compounds (SVOC and IVOC) from combustion sources to SOA formation. The goals are to quantify the contribution of these emissions to ambient PM and to evaluate and improve models to simulate its formation. To create a database for model development and evaluation, a series of smog chamber experiments were conducted on evaporated fuel, which served as surrogates for real-world combustion emissions. Diesel formed the most SOA followed by conventional jet fuel / jet fuel derived from natural gas, gasoline and jet fuel derived from coal. The variability in SOA formation from actual combustion emissions can be partially explained by the composition of the fuel. Several models were developed and tested along with existing models using SOA data from smog chamber experiments conducted using evaporated fuel (this work, gasoline, fischertropschs, jet fuel, diesels) and published data on dilute combustion emissions (aircraft, on- and off-road gasoline, on- and off-road diesel, wood burning, biomass burning). For all of the SOA data, existing models under-predicted SOA formation if SVOC/IVOC were not included. For the evaporated fuel experiments, when SVOC/IVOC were included predictions using the existing SOA model were brought to within a factor of two of measurements with minor adjustments to model parameterizations. Further, a volatility-only model suggested that differences in the volatility of the precursors were able to explain most of the variability observed in the SOA formation. For aircraft exhaust, the previous methods to simulate SOA formation from SVOC and IVOC performed poorly. A more physically-realistic modeling framework was developed, which was then used to show that SOA formation from aircraft exhaust was (a) higher for petroleum-based than synthetically derived jet fuel and (b) higher at lower engine loads and vice versa. All of the SOA data from combustion emissions experiments were used to determine source-specific parameterizations to model SOA formation from SVOC, IVOC and other unspeciated emissions. The new parameterizations were used to investigate their influence on the OA budget in the United States. Combustion sources were estimated to emit about 2.61 Tg yr-1 of SVOC, 1VOC and other unspeciated emissions (sixth of the total anthropogenic organic emissions), which are predicted to double SOA production from combustion sources in the United States. The contribution of SVOC and IVOC emissions to global SOA formation was assessed using a global climate model. Simulations were performed using a modified version of GISS GCM 11'. The modified model predicted that SVOC and IVOC contributed to half of the OA mass in the atmosphere. Their inclusion improved OA model-measurement comparisons for absolute concentrations, POA-SOA split and volatility (gas-particle partitioning) globally suggesting that atmospheric models need to incorporate SOA formation from SVOC and IVOC if they are to reasonably predict the abundance and properties of aerosols. This thesis demonstrates that SVOC/IVOC and possibly other unspeciated organics emitted by combustion sources are very important precursors of SOA and potentially large contributors to the atmospheric aerosol mass. Models used for research and policy applications need to represent them to improve model-predictions of aerosols on climate and health outcomes. The improved modeling frameworks developed in this dissertation are suitable for implementation into chemical transport models.

  16. The dependence of chlorine decay and DBP formation kinetics on pipe flow properties in drinking water distribution.

    PubMed

    Zhao, Yingying; Yang, Y Jeffrey; Shao, Yu; Neal, Jill; Zhang, Tuqiao

    2018-04-27

    Simultaneous chlorine decay and disinfection byproduct (DBP) formation have been discussed extensively because of their regulatory and operational significance. This study further examines chemical reaction variability in the water quality changes under various hydrodynamic conditions in drinking water distribution. The variations of kinetic constant for overall chlorine decay (k E ) and trihalomethane (THM) formation were determined under stagnant to turbulent flows using three devices of different wall demand and two types of natural organic matters (NOM) in water. The results from the comparative experiments and modeling analyses show the relative importance of wall demand (k w ), DBP-forming chlorine decay (k D ), and other bulk demand (k b ' ) for pipe flows of Re = 0-52500. It is found that chlorine reactivity of virgin NOM is the overriding factor. Secondly, for tap water NOM of lower reactivity, pipe flow properties (Re or u) can significantly affect k E , the THM yield (T), formation potential (Y), and the time to reach the maximum THM concentration (t max ) through their influence on kinetic ratio k D (k b ' +k w ). These observations, corroborating with turbidity variations during experiments, cannot be explained alone by chlorine dispersion to and from the pipe wall. Mass exchanges through deposition and scale detachment, most likely being flow-dependent, may have contributed to the overall chlorine decay and DBP formation rates. Thus for the simultaneous occurrence of chlorine decay and DBP formation, model considerations of NOM reactivity, pipe types (wall demand), flow hydraulics, and their interactions are essential. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. Voxel2MCNP: a framework for modeling, simulation and evaluation of radiation transport scenarios for Monte Carlo codes.

    PubMed

    Pölz, Stefan; Laubersheimer, Sven; Eberhardt, Jakob S; Harrendorf, Marco A; Keck, Thomas; Benzler, Andreas; Breustedt, Bastian

    2013-08-21

    The basic idea of Voxel2MCNP is to provide a framework supporting users in modeling radiation transport scenarios using voxel phantoms and other geometric models, generating corresponding input for the Monte Carlo code MCNPX, and evaluating simulation output. Applications at Karlsruhe Institute of Technology are primarily whole and partial body counter calibration and calculation of dose conversion coefficients. A new generic data model describing data related to radiation transport, including phantom and detector geometries and their properties, sources, tallies and materials, has been developed. It is modular and generally independent of the targeted Monte Carlo code. The data model has been implemented as an XML-based file format to facilitate data exchange, and integrated with Voxel2MCNP to provide a common interface for modeling, visualization, and evaluation of data. Also, extensions to allow compatibility with several file formats, such as ENSDF for nuclear structure properties and radioactive decay data, SimpleGeo for solid geometry modeling, ImageJ for voxel lattices, and MCNPX's MCTAL for simulation results have been added. The framework is presented and discussed in this paper and example workflows for body counter calibration and calculation of dose conversion coefficients is given to illustrate its application.

  18. Fundamentals and applications of gas hydrates.

    PubMed

    Koh, Carolyn A; Sloan, E Dendy; Sum, Amadeu K; Wu, David T

    2011-01-01

    Fundamental understanding of gas hydrate formation and decomposition processes is critical in many energy and environmental areas and has special importance in flow assurance for the oil and gas industry. These areas represent the core of gas hydrate applications, which, albeit widely studied, are still developing as growing fields of research. Discovering the molecular pathways and chemical and physical concepts underlying gas hydrate formation potentially can lead us beyond flowline blockage prevention strategies toward advancing new technological solutions for fuel storage and transportation, safely producing a new energy resource from natural deposits of gas hydrates in oceanic and arctic sediments, and potentially facilitating effective desalination of seawater. The state of the art in gas hydrate research is leading us to new understanding of formation and dissociation phenomena that focuses on measurement and modeling of time-dependent properties of gas hydrates on the basis of their well-established thermodynamic properties.

  19. Strategy for synthesizing quantum dot-layered double hydroxide nanocomposites and their enhanced photoluminescence and photostability.

    PubMed

    Cho, Seungho; Jung, Sungwook; Jeong, Sanghwa; Bang, Jiwon; Park, Joonhyuck; Park, Youngrong; Kim, Sungjee

    2013-01-08

    Layered double hydroxide-quantum dot (LDH-QD) composites are synthesized via a room temperature LDH formation reaction in the presence of QDs. InP/ZnS (core/shell) QD, a heavy metal free QD, is used as a model constituent. Interactions between QDs (with negative zeta potentials), decorated with dihydrolipoic acids, and inherently positively charged metal hydroxide layers of LDH during the LDH formations are induced to form the LDH-QD composites. The formation of the LDH-QD composites affords significantly enhanced photoluminescence quantum yields and thermal- and photostabilities compared to their QD counterparts. In addition, the fluorescence from the solid LDH-QD composite preserved the initial optical properties of the QD colloid solution without noticeable deteriorations such as red-shift or deep trap emission. Based on their advantageous optical properties, we also demonstrate the pseudo white light emitting diode, down-converted by the LDH-QD composites.

  20. A model for nocturnal frost formation on a wing section: Aircraft takeoff performance penalties

    NASA Technical Reports Server (NTRS)

    Dietenberger, M. A.

    1983-01-01

    The nocturnal frost formation on a wing section, to explain the hazard associated with frost during takeoff was investigated. A model of nocturnal frost formation on a wing section which predicts when the nocturnal frost will form and also its thickness and density as a function of time was developed. The aerodynamic penalities as related to the nocturnal frost formation properties were analyzed to determine how much the takeoff performance would be degraded by a specific frost layer. With an aircraft takeoff assuming equations representing a steady climbing flight, it is determined that a reduction in the maximum gross weight or a partial frost clearance and a reduction in the takeoff angle of attack is needed to neutralize drag and life penalities which are due to frost. Atmospheric conditions which produce the most hazardous frost buildup are determined.

  1. A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces

    NASA Astrophysics Data System (ADS)

    Ren, Bohua; Dong, Xiuqin; Yu, Yingzhe; Wen, Guobin; Zhang, Minhua

    2017-08-01

    Calculations based on the first-principle density functional theory were carried out to study the most controversial reactions in ethanol formation from syngas on Cu-Co surfaces: CO dissociation mechanism and the key reactions of carbon chain growth of ethanol formation (HCO insertion reactions) on four model surfaces (Cu-Co (111) and (211) with Cu-rich or Co-rich surfaces) to investigate the synergy of the Cu and Co components since the complete reaction network of ethanol formation from syngas is a huge computational burden to calculate on four Cu-Co surface models. We investigated adsorption of important species involved in these reactions, activation barrier and reaction energy of H-assisted dissociation mechanism, directly dissociation of CO, and HCO insertion reactions (CHx + HCO → CHxCHO (x = 1-3)) on four Cu-Co surface models. It was found that reactions on Cu-rich (111) and (211) surfaces all have lower activation barrier in H-assisted dissociation and HCO insertion reactions, especially CH + HCO → CHCHO reaction. The PDOS of 4d orbitals of surface Cu and Co atoms of all surfaces were studied. Analysis of d-band center of Cu and Co atoms and the activation barrier data suggested the correlation between electronic property and catalytic performance. Cu-Co bimetallic with Cu-rich surface allows Co to have higher catalytic activity through the interaction of Cu and Co atom. Then it will improve the adsorption of CO and catalytic activity of Co. Thus it is more favorable to the carbon chain growth in ethanol formation. Our study revealed the factors influencing the carbon chain growth in ethanol production and explained the internal mechanism from electronic property aspect.

  2. CHARACTERIZING THE BROWN DWARF FORMATION CHANNELS FROM THE INITIAL MASS FUNCTION AND BINARY-STAR DYNAMICS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Thies, Ingo; Pflamm-Altenburg, Jan; Kroupa, Pavel

    2015-02-10

    The stellar initial mass function (IMF) is a key property of stellar populations. There is growing evidence that the classical star-formation mechanism by the direct cloud fragmentation process has difficulties reproducing the observed abundance and binary properties of brown dwarfs and very-low-mass stars. In particular, recent analytical derivations of the stellar IMF exhibit a deficit of brown dwarfs compared to observational data. Here we derive the residual mass function of brown dwarfs as an empirical measure of the brown dwarf deficiency in recent star-formation models with respect to observations and show that it is compatible with the substellar part ofmore » the Thies-Kroupa IMF and the mass function obtained by numerical simulations. We conclude that the existing models may be further improved by including a substellar correction term that accounts for additional formation channels like disk or filament fragmentation. The term ''peripheral fragmentation'' is introduced here for such additional formation channels. In addition, we present an updated analytical model of stellar and substellar binarity. The resulting binary fraction and the dynamically evolved companion mass-ratio distribution are in good agreement with observational data on stellar and very-low-mass binaries in the Galactic field, in clusters, and in dynamically unprocessed groups of stars if all stars form as binaries with stellar companions. Cautionary notes are given on the proper analysis of mass functions and the companion mass-ratio distribution and the interpretation of the results. The existence of accretion disks around young brown dwarfs does not imply that these form just like stars in direct fragmentation.« less

  3. EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air Quality

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baer, Donald R.; Finlayson-Pitts, Barbara J.; Allen, Heather C.

    2013-07-01

    This report contains the workshop scope and recommendations from the workshop attendees in identifying scientific gaps in new particle formation, growth and properties of particles and reactions in and on particles as well as the laboratory-focused capabilities, field-deployable capabilities and modeling/theory tools along with linking of models to fundamental data.

  4. Properties of z ~ 3-6 Lyman break galaxies. II. Impact of nebular emission at high redshift

    NASA Astrophysics Data System (ADS)

    de Barros, S.; Schaerer, D.; Stark, D. P.

    2014-03-01

    Context. To gain insight on the mass assembly and place constraints on the star formation history (SFH) of Lyman break galaxies (LBGs), it is important to accurately determine their properties. Aims: We estimate how nebular emission and different SFHs affect parameter estimation of LBGs. Methods: We present a homogeneous, detailed analysis of the spectral energy distribution (SED) of ~1700 LBGs from the GOODS-MUSIC catalogue with deep multi-wavelength photometry from the U band to 8 μm to determine stellar mass, age, dust attenuation, and star formation rate. Using our SED fitting tool, which takes into account nebular emission, we explore a wide parameter space. We also explore a set of different star formation histories. Results: Nebular emission is found to significantly affect the determination of the physical parameters for the majority of z ~ 3-6 LBGs. We identify two populations of galaxies by determining the importance of the contribution of emission lines to broadband fluxes. We find that ~65% of LBGs show detectable signs of emission lines, whereas ~35% show weak or no emission lines. This distribution is found over the entire redshift range. We interpret these groups as actively star-forming and more quiescent LBGs, respectively. We find that it is necessary to considerer SED fits with very young ages (<50 Myr) to reproduce some colours affected by strong emission lines. Other arguments favouring episodic star formation and relatively short star formation timescales are also discussed. Considering nebular emission generally leads to a younger age, lower stellar mass, higher dust attenuation, higher star formation rate, and a large scatter in the SFR-M⋆ relation. Our analysis yields a trend of increasing specific star formation rate with redshift, as predicted by recent galaxy evolution models. Conclusions: The physical parameters of approximately two thirds of high redshift galaxies are significantly modified when we account for nebular emission. The SED models, which include nebular emission shed new light on the properties of LBGs with numerous important implications. Appendix A is available in electronic form at http://www.aanda.org

  5. Design of Training Systems, Phase II-A Report. An Educational Technology Assessment Model (ETAM)

    DTIC Science & Technology

    1975-07-01

    34format" for the perceptual tasks. This is applicable to auditory as well as visual tasks. Student Participation in Learning Route. When a student enters...skill formats Skill training 05.05 Vehicle properties Instructional functions: Type of stimulus presented to student visual auditory ...Subtask 05.05. For example, a trainer to identify and interpret auditory signals would not be represented in the above list. Trainers in the vehicle

  6. Physical properties of galaxies: towards a consistent comparison between hydrodynamical simulations and SDSS

    NASA Astrophysics Data System (ADS)

    Guidi, Giovanni; Scannapieco, Cecilia; Walcher, Jakob; Gallazzi, Anna

    2016-10-01

    We study the effects of applying observational techniques to derive the properties of simulated galaxies, with the aim of making an unbiased comparison between observations and simulations. For our study, we used 15 galaxies simulated in a cosmological context using three different feedback and chemical enrichment models, and compared their z = 0 properties with data from the Sloan Digital Sky Survey (SDSS). We show that the physical properties obtained directly from the simulations without post-processing can be very different from those obtained mimicking observational techniques. In order to provide simulators a way to reliably compare their galaxies with SDSS data, for each physical property that we studied - colours, magnitudes, gas and stellar metallicities, mean stellar ages and star formation rates - we give scaling relations that can be easily applied to the values extracted from the simulations; these scalings have in general a high correlation, except for the gas oxygen metallicities. Our simulated galaxies are photometrically similar to galaxies in the blue sequence/green valley, but in general they appear older, passive and with lower metal content compared to most of the spirals in SDSS. As a careful assessment of the agreement/disagreement with observations is the primary test of the baryonic physics implemented in hydrodynamical codes, our study shows that considering the observational biases in the derivation of the galaxies' properties is of fundamental importance to decide on the failure/success of a galaxy formation model.

  7. Inhibitory effect of Piper betle Linn. leaf extract on protein glycation--quantification and characterization of the antiglycation components.

    PubMed

    Bhattacherjee, Abhishek; Chakraborti, Abhay Sankar

    2013-12-01

    Piper betle Linn. is a Pan-Asiatic plant having several beneficial properties. Protein glycation and advanced glycation end products (AGEs) formation are associated with different pathophysiological conditions, including diabetes mellitus. Our study aims to find the effect of methanolic extract of P. betle leaves on in vitro protein glycation in bovine serum albumin (BSA)-glucose model. The extract inhibits glucose-induced glycation, thiol group modification and carbonyl formation in BSA in dose-dependent manner. It inhibits different stages of protein glycation, as demonstrated by using glycation models: hemoglobin-delta-gluconolactone (for early stage, Amadori product formation), BSA-methylglyoxal (for middle stage, formation of oxidative cleavage products) and BSA-glucose (for last stage, formation of AGEs) systems. Several phenolic compounds are isolated from the extract. Considering their relative amounts present in the extract, rutin appears to be the most active antiglycating agent. The extract of P. betle leaf may thus have beneficial effect in preventing protein glycation and associated complications in pathological conditions.

  8. Biot-Gassmann theory for velocities of gas hydrate-bearing sediments

    USGS Publications Warehouse

    Lee, M.W.

    2002-01-01

    Elevated elastic velocities are a distinct physical property of gas hydrate-bearing sediments. A number of velocity models and equations (e.g., pore-filling model, cementation model, effective medium theories, weighted equations, and time-average equations) have been used to describe this effect. In particular, the weighted equation and effective medium theory predict reasonably well the elastic properties of unconsolidated gas hydrate-bearing sediments. A weakness of the weighted equation is its use of the empirical relationship of the time-average equation as one element of the equation. One drawback of the effective medium theory is its prediction of unreasonably higher shear-wave velocity at high porosities, so that the predicted velocity ratio does not agree well with the observed velocity ratio. To overcome these weaknesses, a method is proposed, based on Biot-Gassmann theories and assuming the formation velocity ratio (shear to compressional velocity) of an unconsolidated sediment is related to the velocity ratio of the matrix material of the formation and its porosity. Using the Biot coefficient calculated from either the weighted equation or from the effective medium theory, the proposed method accurately predicts the elastic properties of unconsolidated sediments with or without gas hydrate concentration. This method was applied to the observed velocities at the Mallik 2L-39 well, Mackenzie Delta, Canada.

  9. Ethylene formation by polymorphonuclear leukocytes. Role of myeloperoxidase

    PubMed Central

    1978-01-01

    Ethylene formation from the thioethers, beta-methylthiopropionaldehyde (methional) and 2-keto-4-thiomethylbutyric acid by phagocytosing polymorphonuclear leukocytes (PMNs) was found to be largely dependent on myeloperoxidase (MPO). Conversion was less than 10% of normal when MPO-deficient PMNs were employed; formation by normal PMNs was inhibited by the peroxidase inhibitors, azide, and cyanide, and a model system consisting of MPO, H2O2, chloride (or bromide) and EDTA was found which shared many of the properties of the predominant PMN system. MPO-independent mechanisms of ethylene formation were also identified. Ethylene formation from methional by phagocytosing eosinophils and by H2O2 in the presence or absence of catalase was stimulated by azide. The presence of MPO-independent, azide-stimulable systems in the PMN preparations was suggested by the azide stimulation of ethylene formation from methional when MPO-deficient leukocytes were employed. Ethylene formation by dye-sensitized photooxidation was also demonstrated and evidence obtained for the involvement of singlet oxygen (1O2). These findings are discussed in relation to the participation of H2O2, hydroxyl radicals, the superoxide anion and 1O2 in the formation of ethylene by PMNs and by the MPO model system. PMID:212502

  10. Is pigment patterning in fish skin determined by the Turing mechanism?

    PubMed

    Watanabe, Masakatsu; Kondo, Shigeru

    2015-02-01

    More than half a century ago, Alan Turing postulated that pigment patterns may arise from a mechanism that could be mathematically modeled based on the diffusion of two substances that interact with each other. Over the past 15 years, the molecular and genetic tools to verify this prediction have become available. Here, we review experimental studies aimed at identifying the mechanism underlying pigment pattern formation in zebrafish. Extensive molecular genetic studies in this model organism have revealed the interactions between the pigment cells that are responsible for the patterns. The mechanism discovered is substantially different from that predicted by the mathematical model, but it retains the property of 'local activation and long-range inhibition', a necessary condition for Turing pattern formation. Although some of the molecular details of pattern formation remain to be elucidated, current evidence confirms that the underlying mechanism is mathematically equivalent to the Turing mechanism. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Stellar Properties of Embedded Protostars: Progress and Prospects

    NASA Technical Reports Server (NTRS)

    Greene, Thomas

    2006-01-01

    Until now, high extinctions have prevented direct observation of the central objects of self-embedded, accreting protostars. However, sensitive high dispersion spectrographs on large aperture telescopes have allowed us to begin studying the stellar astrophysical properties of dozens of embedded low mass protostars in the nearest regions of star formation. These high dispersion spectra allow, for the first time, direct measurements of their stellar effective temperatures, surface gravities, rotation velocities, radial velocities (and spectroscopic binarity), mass accretion properties, and mass outflow indicators. Comparisons of the stellar properties with evolutionary models also allow us to estimate masses and constrain ages. We find that these objects have masses similar to those of older, more evolved T Tauri stars, but protostars have higher mean rotation velocities and angular momenta. Most protostars indicate high mass accretion or outflow, but some in Taurus-Auriga appear to be relatively quiescent. These new results are testing, expanding, and refining the standard star formation paradigm, and we explore how to expand this work further.

  12. The structural, electronic and optical properties of Nd doped ZnO using first-principles calculations

    NASA Astrophysics Data System (ADS)

    Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu

    2018-04-01

    The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.

  13. Synthesis and characterisation of multifunctional alginate microspheres via the in situ formation of ZnO quantum dots and the graft of 4-(1-pyrenyl) butyric acid to sodium alginate.

    PubMed

    Luo, Guilin; Wang, Jianxin; Wang, Yingying; Feng, Bo; Weng, Jie

    2015-01-01

    Growth factor-loaded fluorescent alginate microspheres, which can realise sustained growth factor release and fluorescence imaging, were synthesised by in situ formation of ZnO quantum dots (QDs) and covalent graft of 4-(1-pyrenyl) butyric acid (PBA). BSA was chosen as a growth factor model protein to study the release kinetic of growth factors from alginate microspheres. The microsphere size and fluorescent properties were also investigated. Investigations of cell culture were used for evaluating biocompatibility of BSA-loaded fluorescent microspheres and fluorescence imaging property of ZnO QDs and PBA-grafted sodium alginate from the microspheres. The results show that they have good fluorescent property either to microspheres or to cells and fluorescent microspheres have good biocompatibility and property in sustained release of growth factors. The obtained microspheres will be expected to realise the imaging of cells and materials and also the release of growth factor in tissue engineering or in cell culture.

  14. Influences of Cutting Speed and Material Mechanical Properties on Chip Deformation and Fracture during High-Speed Cutting of Inconel 718.

    PubMed

    Wang, Bing; Liu, Zhanqiang; Hou, Xin; Zhao, Jinfu

    2018-03-21

    The paper aims to investigate the influences of material constitutive and fracture parameters in addition to cutting speed on chip formation during high-speed cutting of Inconel 718. Finite element analyses for chip formation are conducted with Johnson-Cook constitutive and fracture models. Meanwhile, experiments of high-speed orthogonal cutting are performed to verify the simulation results with cutting speeds ranging from 50 m/min to 7000 m/min. The research indicates that the chip morphology transforms from serrated to fragmented at the cutting speed of 7000 m/min due to embrittlement of the workpiece material under ultra-high cutting speeds. The parameter of shear localization sensitivity is put forward to describe the influences of material mechanical properties on serrated chip formation. The results demonstrate that the effects of initial yield stress and thermal softening coefficient on chip shear localization are much more remarkable than the other constitutive parameters. For the material fracture parameters, the effects of initial fracture strain and exponential factor of stress state on chip shear localization are more much prominent. This paper provides guidance for controlling chip formation through the adjustment of material mechanical properties and the selection of appropriate cutting parameters.

  15. Influences of Cutting Speed and Material Mechanical Properties on Chip Deformation and Fracture during High-Speed Cutting of Inconel 718

    PubMed Central

    Hou, Xin; Zhao, Jinfu

    2018-01-01

    The paper aims to investigate the influences of material constitutive and fracture parameters in addition to cutting speed on chip formation during high-speed cutting of Inconel 718. Finite element analyses for chip formation are conducted with Johnson–Cook constitutive and fracture models. Meanwhile, experiments of high-speed orthogonal cutting are performed to verify the simulation results with cutting speeds ranging from 50 m/min to 7000 m/min. The research indicates that the chip morphology transforms from serrated to fragmented at the cutting speed of 7000 m/min due to embrittlement of the workpiece material under ultra-high cutting speeds. The parameter of shear localization sensitivity is put forward to describe the influences of material mechanical properties on serrated chip formation. The results demonstrate that the effects of initial yield stress and thermal softening coefficient on chip shear localization are much more remarkable than the other constitutive parameters. For the material fracture parameters, the effects of initial fracture strain and exponential factor of stress state on chip shear localization are more much prominent. This paper provides guidance for controlling chip formation through the adjustment of material mechanical properties and the selection of appropriate cutting parameters. PMID:29561770

  16. Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Wang, Aiping; Kadam, Sanket; Li, Hong; Shi, Siqi; Qi, Yue

    2018-03-01

    A passivation layer called the solid electrolyte interphase (SEI) is formed on electrode surfaces from decomposition products of electrolytes. The SEI allows Li+ transport and blocks electrons in order to prevent further electrolyte decomposition and ensure continued electrochemical reactions. The formation and growth mechanism of the nanometer thick SEI films are yet to be completely understood owing to their complex structure and lack of reliable in situ experimental techniques. Significant advances in computational methods have made it possible to predictively model the fundamentals of SEI. This review aims to give an overview of state-of-the-art modeling progress in the investigation of SEI films on the anodes, ranging from electronic structure calculations to mesoscale modeling, covering the thermodynamics and kinetics of electrolyte reduction reactions, SEI formation, modification through electrolyte design, correlation of SEI properties with battery performance, and the artificial SEI design. Multi-scale simulations have been summarized and compared with each other as well as with experiments. Computational details of the fundamental properties of SEI, such as electron tunneling, Li-ion transport, chemical/mechanical stability of the bulk SEI and electrode/(SEI/) electrolyte interfaces have been discussed. This review shows the potential of computational approaches in the deconvolution of SEI properties and design of artificial SEI. We believe that computational modeling can be integrated with experiments to complement each other and lead to a better understanding of the complex SEI for the development of a highly efficient battery in the future.

  17. Spatial characterization of soil properties and influence in soil formation in oak-grassland of Sierra Morena, S Spain

    NASA Astrophysics Data System (ADS)

    Román-Sánchez, Andrea; Cáceres, Francisco; Pédèches, Remi; Giráldez Cervera, Juan Vicente; Vanwalleghem, Tom

    2016-04-01

    The Mediterranean oak-grassland ecosystem is very important for the rural economy and for the biodiversity of south-western European countries like Spain and Portugal. Nevertheless these ecosystems are not well characterized especially their soils. In this report soil carbon has been evaluated and related to other properties. The principal factors controlling the structure, productivity and evolution of forest ecosystems are bedrock, climate, relief, vegetation and time. Soil carbon has an important influence in the soil and ecosystem structures. The purpose of this study is to determine the relationship between relief, soil properties, spatial distribution of soil carbon and their influence in soil formation and geomorphology. This work is part of another study which aims to elucidate the processes involved in the soil formation and to examine their behaviour on long-term with a modelling. In our study area, located in oak-grassland of Sierra Morena, in Cordoba, S Spain, have been studied 67 points at 6 depths in 262 hectares in order to determine carbon content varying between 0-6%, soil properties such as soil depth between 0-4 m, horizon depth and the rocks amount in surface. The relationship between the soil carbon, soil properties and the relief characteristic like slope, aspect, curvature can shed light the processes that affect the mechanisms of bedrock weathering and their interrelationship with geomorphological processes.

  18. Conformational, IR spectroscopic and electronic properties of conium alkaloids and their adducts with C60 fullerene

    NASA Astrophysics Data System (ADS)

    Zabolotnyi, M. A.; Prylutskyy, Yu I.; Poluyan, N. A.; Evstigneev, M. P.; Dovbeshko, G. I.

    2016-08-01

    Conformational, IR spectroscopic and electronic properties of the components of Conium alkaloids (Conium maculatum) in aqueous environment were determined by model calculations and experiment. With the help of FT-IR spectroscopy the possibility of formation of an adduct between γ-coniceine alkaloid and C60 fullerene was demonstrated, which is important for further application of conium analogues in biomedical purposes.

  19. Simulation and Characterization of Methane Hydrate Formation

    NASA Astrophysics Data System (ADS)

    Dhakal, S.; Gupta, I.

    2017-12-01

    The ever rising global energy demand dictates human endeavor to explore and exploit new and innovative energy sources. As conventional oil and gas reserves deplete, we are constantly looking for newer sources for sustainable energy. Gas hydrates have long been discussed as the next big energy resource to the earth. Its global occurrence and vast quantity of natural gas stored is one of the main reasons for such interest in its study and exploration. Gas hydrates are solid crystalline substances with trapped molecules of gas inside cage-like crystals of water molecules. Gases such as methane, ethane, propane and carbon dioxide can form hydrates but in natural state, methane hydrates are the most common. Subsurface geological conditions with high pressure and low temperature favor the formation and stability of gas hydrates. While the occurrence and potential of gas hydrates as energy source has long been studied, there are still gaps in knowledge, especially in the quantitative research of gas hydrate formation and reservoir characterization. This study is focused on exploring and understanding the geological setting in which gas hydrates are formed and the subsequent changes in rock characteristics as they are deposited. It involves the numerical simulation of methane gas flow through fault to form hydrates. The models are representative of the subsurface geologic setting of Gulf of Mexico with a fault through layers of shale and sandstone. Hydrate formation simulated is of thermogenic origin. The simulations are conducted using TOUGH+HYDRATE, a numerical code developed at the Lawrence Berkley National Laboratory for modeling multiphase flow through porous medium. Simulation results predict that as the gas hydrates form in the pores of the model, the porosity, permeability and other rock properties are altered. Preliminary simulation results have shown that hydrates begin to form in the fault zone and gradually in the sandstone layers. The increase in hydrate saturation is followed by decrease in the porosity and permeability of the reservoir rock. Sensitivities on flow rates of gas and water are simulated, using different reservoir properties, fault angles and grid sizes to study the properties of hydrate formation and accumulation in the subsurface.

  20. The SCEC Unified Community Velocity Model (UCVM) Software Framework for Distributing and Querying Seismic Velocity Models

    NASA Astrophysics Data System (ADS)

    Maechling, P. J.; Taborda, R.; Callaghan, S.; Shaw, J. H.; Plesch, A.; Olsen, K. B.; Jordan, T. H.; Goulet, C. A.

    2017-12-01

    Crustal seismic velocity models and datasets play a key role in regional three-dimensional numerical earthquake ground-motion simulation, full waveform tomography, modern physics-based probabilistic earthquake hazard analysis, as well as in other related fields including geophysics, seismology, and earthquake engineering. The standard material properties provided by a seismic velocity model are P- and S-wave velocities and density for any arbitrary point within the geographic volume for which the model is defined. Many seismic velocity models and datasets are constructed by synthesizing information from multiple sources and the resulting models are delivered to users in multiple file formats, such as text files, binary files, HDF-5 files, structured and unstructured grids, and through computer applications that allow for interactive querying of material properties. The Southern California Earthquake Center (SCEC) has developed the Unified Community Velocity Model (UCVM) software framework to facilitate the registration and distribution of existing and future seismic velocity models to the SCEC community. The UCVM software framework is designed to provide a standard query interface to multiple, alternative velocity models, even if the underlying velocity models are defined in different formats or use different geographic projections. The UCVM framework provides a comprehensive set of open-source tools for querying seismic velocity model properties, combining regional 3D models and 1D background models, visualizing 3D models, and generating computational models in the form of regular grids or unstructured meshes that can be used as inputs for ground-motion simulations. The UCVM framework helps researchers compare seismic velocity models and build equivalent simulation meshes from alternative velocity models. These capabilities enable researchers to evaluate the impact of alternative velocity models in ground-motion simulations and seismic hazard analysis applications. In this poster, we summarize the key components of the UCVM framework and describe the impact it has had in various computational geoscientific applications.

  1. Cosmological implications of a stellar initial mass function that varies with the Jeans mass in galaxies

    NASA Astrophysics Data System (ADS)

    Narayanan, Desika; Davé, Romeel

    2012-07-01

    Observations of star-forming galaxies at high z have suggested discrepancies in the inferred star formation rates (SFRs) either between data and models or between complementary measures of the SFR. These putative discrepancies could all be alleviated if the stellar initial mass function (IMF) is systematically weighted towards more high-mass star formation in rapidly star-forming galaxies. Here, we explore how the IMF might vary under the central assumption that the turnover mass in the IMF, ?, scales with the Jeans mass in giant molecular clouds (GMCs), ?. We employ hydrodynamic simulations of galaxies coupled with radiative transfer models to predict how the typical GMC Jeans mass, and hence the IMF, varies with galaxy properties. We then study the impact of such an IMF on the star formation law, the SFR-M* relation, sub-millimetre galaxies (SMGs) and the cosmic SFR density. Our main results are: the H2 mass-weighted Jeans mass in a galaxy scales well with the SFR when the SFR is greater than a few M⊙ yr-1. Stellar population synthesis modelling shows that this results in a non-linear relation between SFR and Lbol, such that SFR ?. Using this model relation, the inferred SFR of local ultraluminous infrared galaxies decreases by a factor of ˜2, and that of high-z SMGs decreases by a factor of ˜3-5. At z˜ 2, this results in a lowered normalization of the SFR-M* relation in better agreement with models, a reduced discrepancy between the observed cosmic SFR density and stellar mass density evolution, and SMG SFRs that are easier to accommodate in current hierarchical structure formation models. It further results in a Kennicutt-Schmidt star formation law with a slope of ˜1.6 when utilizing a physically motivated form for the CO-H2 conversion factor that varies with galaxy physical property. While each of the discrepancies considered here could be alleviated without appealing to a varying IMF, the modest variation implied by assuming ? is a plausible solution that simultaneously addresses numerous thorny issues regarding the SFRs of high-z galaxies.

  2. Planetesimal formation starts at the snow line

    NASA Astrophysics Data System (ADS)

    Drążkowska, J.; Alibert, Y.

    2017-12-01

    Context. The formation stage of planetesimals represents a major gap in our understanding of the planet formation process. Late-stage planet accretion models typically make arbitrary assumptions about planetesimal and pebble distribution, while dust evolution models predict that planetesimal formation is only possible at some orbital distances. Aims: We wish to test the importance of the water snow line in triggering the formation of the first planetesimals during the gas-rich phase of a protoplanetary disk, when cores of giant planets have to form. Methods: We connected prescriptions for gas disk evolution, dust growth and fragmentation, water ice evaporation and recondensation, the transport of both solids and water vapor, and planetesimal formation via streaming instability into a single one-dimensional model for protoplanetary disk evolution. Results: We find that processes taking place around the snow line facilitate planetesimal formation in two ways. First, because the sticking properties between wet and dry aggregates change, a "traffic jam" inside of the snow line slows the fall of solids onto the star. Second, ice evaporation and outward diffusion of water followed by its recondensation increases the abundance of icy pebbles that trigger planetesimal formation via streaming instability just outside of the snow line. Conclusions: Planetesimal formation is hindered by growth barriers and radial drift and thus requires particular conditions to take place. The snow line is a favorable location where planetesimal formation is possible for a wide range of conditions, but not in every protoplanetary disk model, however. This process is particularly promoted in large cool disks with low intrinsic turbulence and an increased initial dust-to-gas ratio. The movie attached to Fig. 3 is only available at http://www.aanda.org

  3. Detailed modeling analysis for soot formation and radiation in microgravity gas jet diffusion flames

    NASA Technical Reports Server (NTRS)

    Ku, Jerry C.; Tong, LI; Greenberg, Paul S.

    1995-01-01

    Radiation heat transfer in combustion systems has been receiving increasing interest. In the case of hydrocarbon fuels, a significant portion of the radiation comes from soot particles, justifying the need for detailed soot formation model and radiation transfer calculations. For laminar gas jet diffusion flames, results from this project (4/1/91 8/22/95) and another NASA study show that flame shape, soot concentration, and radiation heat fluxes are substantially different under microgravity conditions. Our emphasis is on including detailed soot transport models and a detailed solution for radiation heat transfer, and on coupling them with the flame structure calculations. In this paper, we will discuss the following three specific areas: (1) Comparing two existing soot formation models, and identifying possible improvements; (2) A simple yet reasonably accurate approach to calculating total radiative properties and/or fluxes over the spectral range; and (3) Investigating the convergence of iterations between the flame structure solver and the radiation heat transfer solver.

  4. Tailoring Heterovalent Interface Formation with Light

    DOE PAGES

    Park, Kwangwook; Alberi, Kirstin

    2017-08-17

    Integrating different semiconductor materials into an epitaxial device structure offers additional degrees of freedom to select for optimal material properties in each layer. However, interface between materials with different valences (i.e. III-V, II-VI and IV semiconductors) can be difficult to form with high quality. Using ZnSe/GaAs as a model system, we explore the use of UV illumination during heterovalent interface growth by molecular beam epitaxy as a way to modify the interface properties. We find that UV illumination alters the mixture of chemical bonds at the interface, permitting the formation of Ga-Se bonds that help to passivate the underlying GaAsmore » layer. Illumination also helps to reduce defects in the ZnSe epilayer. Furthermore, these results suggest that moderate UV illumination during growth may be used as a way to improve the optical properties of both the GaAs and ZnSe layers on either side of the interface.« less

  5. Galactic Outflows and Their Correlation with Galaxy Properties at 0.8 < z < 1.6

    NASA Astrophysics Data System (ADS)

    Whiting, Lindsey M.

    Out. ows have been shown to be ubiquitous in galaxies between z = 1 and z=2, and many models and observations have attempted to correlate the absorption line. properties of these out. ows with morphological characteristics of their host galaxies. In this study, we examined the spectra of 71 galaxies with redshifts 1< z<2, paying. particular attention to the FeII and MgII absorption lines. We plotted the equivalent. width, velocity, and maximum velocity of the absorption features against various. physical properties of the galaxies, obtained from catalogues created by Skelton et. al., (2014) and van der Wel et al., (2012). We conrmed the presence of out. ows in. our galaxy sample, and found a signicant trend between the equivalent width and. star formation rate - out. owing gas has stronger absorption lines in galaxies with. higher star formation rates.

  6. Single-phase and two-phase flow properties of mesaverde tight sandstone formation; random-network modeling approach

    NASA Astrophysics Data System (ADS)

    Bashtani, Farzad; Maini, Brij; Kantzas, Apostolos

    2016-08-01

    3D random networks are constructed in order to represent the tight Mesaverde formation which is located in north Wyoming, USA. The porous-space is represented by pore bodies of different shapes and sizes which are connected to each other by pore throats of varying length and diameter. Pore bodies are randomly distributed in space and their connectivity varies based on the connectivity number distribution which is used in order to generate the network. Network representations are then validated using publicly available mercury porosimetry experiments. The network modeling software solves the fundamental equations of two-phase immiscible flow incorporating wettability and contact angle variability. Quasi-static displacement is assumed. Single phase macroscopic properties (porosity, permeability) are calculated and whenever possible are compared to experimental data. Using this information drainage and imbibition capillary pressure, and relative permeability curves are predicted and (whenever possible) compared to experimental data. The calculated information is grouped and compared to available literature information on typical behavior of tight formations. Capillary pressure curve for primary drainage process is predicted and compared to experimental mercury porosimetry in order to validate the virtual porous media by history matching. Relative permeability curves are also calculated and presented.

  7. From crystal chemistry to colloid stability

    NASA Astrophysics Data System (ADS)

    Gilbert, B.; Burrows, N.; Penn, R. L.

    2008-12-01

    Aqueous suspensions of ferrihydrite nanoparticles form a colloid with properties that can be understood using classical theories but which additionally exhibit the distinctive phenomenon of nanocluster formation. While use of in situ light and x-ray scattering methods permit the quantitative determination of colloid stability, interparticle interactions, and cluster or aggregate geometry, there are currently few approaches to predict the colloidal behavior of mineral nanoparticles. A longstanding goal of aqueous geochemistry is the rationalization and prediction of the chemical properties of hydrated mineral interfaces from knowledge of interface structure at the molecular scale. Because interfacial acid-base reactions typically lead to the formation of a net electrostatic charge at the surfaces of oxide, hydroxide, and oxyhydroxide mineral surfaces, quantitative descriptions of this behavior have the potential to permit the prediction of long-range interactions between mineral particles. We will evaluate the feasibility of this effort by constructing a model for surface charge formation for ferrihydrite that combines recent insights into the crystal structure of this phase and proposed methods for estimating the pKa of acidic surface groups. We will test the ability of this model to predict the colloidal stability of ferrihydrite suspensions as a function of solution chemistry.

  8. The growth of discs and bulges during hierarchical galaxy formation - II. Metallicity, stellar populations and dynamical evolution

    NASA Astrophysics Data System (ADS)

    Tonini, C.; Mutch, S. J.; Wyithe, J. S. B.; Croton, D. J.

    2017-03-01

    We investigate the properties of the stellar populations of model galaxies as a function of galaxy evolutionary history and angular momentum content. We use the new semi-analytic model presented in Tonini et al. This new model follows the angular momentum evolution of gas and stars, providing the base for a new star formation recipe, and treatment of the effects of mergers that depends on the central galaxy dynamical structure. We find that the new recipes have the effect of boosting the efficiency of the baryonic cycle in producing and recycling metals, as well as preventing minor mergers from diluting the metallicity of bulges and ellipticals. The model reproduces the stellar mass-stellar metallicity relation for galaxies above 1010 solar masses, including Brightest Cluster Galaxies. Model discs, galaxies dominated by instability-driven components, and merger-driven objects each stem from different evolutionary channels. These model galaxies therefore occupy different loci in the galaxy mass-size relation, which we find to be in accord with the ATLAS 3D classification of disc galaxies, fast rotators and slow rotators. We find that the stellar populations' properties depend on the galaxy evolutionary type, with more evolved stellar populations being part of systems that have lost or dissipated more angular momentum during their assembly history.

  9. Shapes and binary fractions of Jovian Trojans and Hildas through NEOWISE

    NASA Astrophysics Data System (ADS)

    Sonnett, S.; Mainzer, A.; Grav, T.; Bauer, J.; Masiero, J.; Stevenson, R.; Nugent, C.

    2014-07-01

    Jovian Trojans (hereafter, Trojans) and Hildas are indicative of planetary migration patterns since their capture and physical state must be explained by dynamical evolution models. Early models of minimal planetary migration necessitate that Trojans were dynamically captured from the giant planet region (e.g., Marzari & Scholl 1998). The Nice model instead suggests that Trojans were injected from the outer solar system during a period of significant giant planet migration (e.g., Morbidelli et al. 2005). A more recent version of the Nice model suggests that asymmetric scatterings and collisions would have taken place, producing dissimilar L4 and L5 clouds (Nesvorny et al. 2013). Each of these formation scenarios predicts a different origin and/or collisional evolution for Trojans, which can be inferred from rotation properties. Namely, the physical shape as a function of size helps determine the degree of collisional processing (Farinella et al. 1992). Also, the binary fraction as a function of separation between the two components can be used to determine the dominant binary formation mechanism and thus helps characterize the dynamical environment (e.g., Kern & Elliot 2006). Rotational variation usually corresponds to elongated shapes, but high amplitudes (> 0.9 magnitudes; Sheppard & Jewitt 2004) can only be explained by close or contact binaries. Therefore, rotational lightcurves can be used to infer both shape and the presence of a close companion. Motivated by the need for more observational constraints on solar system formation models and a poor understanding of the rotation properties and binary fraction of Trojans and Hildas, we are studying their rotational lightcurve amplitudes using infrared photometry from NEOWISE (Mainzer et al. 2011; Grav et al. 2011) in order to determine debiased rotational lightcurve amplitude distributions for various Trojan subpopulations and for Trojans compared to Hildas. Preliminary amplitude distributions show a large fraction of potential close or contact binaries (having Δ m > 0.9). These distributions can be used to constrain the collisional and dynamical history of solar system formation models.

  10. Formation and Evolution of X-ray Binaries

    NASA Astrophysics Data System (ADS)

    Fragkos, Anastasios

    X-ray binaries - mass-transferring binary stellar systems with compact object accretors - are unique astrophysical laboratories. They carry information about many complex physical processes such as star formation, compact object formation, and evolution of interacting binaries. My thesis work involves the study of the formation and evolution of Galactic and extra-galacticX-ray binaries using both detailed and realistic simulation tools, and population synthesis techniques. I applied an innovative analysis method that allows the reconstruction of the full evolutionary history of known black hole X-ray binaries back to the time of compact object formation. This analysis takes into account all the available observationally determined properties of a system, and models in detail four of its evolutionary evolutionary phases: mass transfer through the ongoing X-ray phase, tidal evolution before the onset of Roche-lobe overflow, motion through the Galactic potential after the formation of the black hole, and binary orbital dynamics at the time of core collapse. Motivated by deep extra-galactic Chandra survey observations, I worked on population synthesis models of low-mass X-ray binaries in the two elliptical galaxies NGC3379 and NGC4278. These simulations were targeted at understanding the origin of the shape and normalization of the observed X-ray luminosity functions. In a follow up study, I proposed a physically motivated prescription for the modeling of transient neutron star low-mass X-ray binary properties, such as duty cycle, outburst duration and recurrence time. This prescription enabled the direct comparison of transient low-mass X-ray binary population synthesis models to the Chandra X-ray survey of the two ellipticals NGC3379 and NGC4278. Finally, I worked on population synthesismodels of black holeX-ray binaries in the MilkyWay. This work was motivated by recent developments in observational techniques for the measurement of black hole spin magnitudes in black hole X-ray binaries. The accuracy of these techniques depend on misalignment of the black hole spin with respect to the orbital angular momentum. In black hole X-ray binaries, this misalignment can occur during the supernova explosion that forms the compact object. In this study, I presented population synthesis models of Galactic black hole X-ray binaries, and examined the distribution of misalignment angles, and its dependence on the model parameters.

  11. Developing a predictive model for the chemical composition of soot nanoparticles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Violi, Angela; Michelsen, Hope; Hansen, Nils

    In order to provide the scientific foundation to enable technology breakthroughs in transportation fuel, it is important to develop a combustion modeling capability to optimize the operation and design of evolving fuels in advanced engines for transportation applications. The goal of this proposal is to develop a validated predictive model to describe the chemical composition of soot nanoparticles in premixed and diffusion flames. Atomistic studies in conjunction with state-of-the-art experiments are the distinguishing characteristics of this unique interdisciplinary effort. The modeling effort has been conducted at the University of Michigan by Prof. A. Violi. The experimental work has entailed amore » series of studies using different techniques to analyze gas-phase soot precursor chemistry and soot particle production in premixed and diffusion flames. Measurements have provided spatial distributions of polycyclic aromatic hydrocarbons and other gas-phase species and size and composition of incipient soot nanoparticles for comparison with model results. The experimental team includes Dr. N. Hansen and H. Michelsen at Sandia National Labs' Combustion Research Facility, and Dr. K. Wilson as collaborator at Lawrence Berkeley National Lab's Advanced Light Source. Our results show that the chemical and physical properties of nanoparticles affect the coagulation behavior in soot formation, and our results on an experimentally validated, predictive model for the chemical composition of soot nanoparticles will not only enhance our understanding of soot formation since but will also allow the prediction of particle size distributions under combustion conditions. These results provide a novel description of soot formation based on physical and chemical properties of the particles for use in the next generation of soot models and an enhanced capability for facilitating the design of alternative fuels and the engines they will power.« less

  12. Planets around pulsars - Implications for planetary formation

    NASA Technical Reports Server (NTRS)

    Bodenheimer, Peter

    1993-01-01

    Data on planets around pulsars are summarized, and different models intended to explain the formation mechanism are described. Both theoretical and observational evidence suggest that very special circumstances are required for the formation of planetary systems around pulsars, namely, the prior presence of a millisecond pulsar with a close binary companion, probably a low mass main-sequence star. It is concluded that the discovery of two planets around PSR 1257+12 is important for better understanding the problems of dynamics and stellar evolution. The process of planetary formation should be learned through intensive studies of the properties of disks near young objects and application of techniques for detection of planets around main-sequence solar-type stars.

  13. Comparing models for IMF variation across cosmological time in Milky Way-like galaxies

    NASA Astrophysics Data System (ADS)

    Guszejnov, Dávid; Hopkins, Philip F.; Ma, Xiangcheng

    2017-12-01

    One of the key observations regarding the stellar initial mass function (IMF) is its near-universality in the Milky Way (MW), which provides a powerful way to constrain different star formation models that predict the IMF. However, those models are almost universally 'cloud-scale' or smaller - they take as input or simulate single molecular clouds (GMCs), clumps or cores, and predict the resulting IMF as a function of the cloud properties. Without a model for the progenitor properties of all clouds that formed the stars at different locations in the MW (including ancient stellar populations formed in high redshift, likely gas-rich dwarf progenitor galaxies that looked little like the Galaxy today), the predictions cannot be fully explored nor safely applied to 'live' cosmological calculations of the IMF in different galaxies at different cosmological times. We therefore combine a suite of high-resolution cosmological simulations (from the Feedback In Realistic Environments project), which form MW-like galaxies with reasonable star formation properties and explicitly resolve massive GMCs, with various proposed cloud-scale IMF models. We apply the models independently to every star particle formed in the simulations to synthesize the predicted IMF in the present-day galaxy. We explore models where the IMF depends on Jeans mass, sonic or 'turbulent Bonnor-Ebert' mass, fragmentation with a polytropic equation of state, or where it is self-regulated by protostellar feedback. We show that all of these models, except the feedback-regulated ones, predict far more variation (∼0.6-1 dex 1σ scatter in the IMF turnover mass) in the simulations than is observed in the MW.

  14. Effects of Pore Size on the Osteoconductivity and Mechanical Properties of Calcium Phosphate Cement in a Rabbit Model.

    PubMed

    Zhao, Yi-Nan; Fan, Jun-Jun; Li, Zhi-Quan; Liu, Yan-Wu; Wu, Yao-Ping; Liu, Jian

    2017-02-01

    Calcium phosphate cement (CPC) porous scaffold is widely used as a suitable bone substitute to repair bone defect, but the optimal pore size is unclear yet. The current study aimed to evaluate the effect of different pore sizes on the processing of bone formation in repairing segmental bone defect of rabbits using CPC porous scaffolds. Three kinds of CPC porous scaffolds with 5 mm diameters and 12 mm length were prepared with the same porosity but different pore sizes (Group A: 200-300 µm, Group B: 300-450 µm, Group C: 450-600 µm, respectively). Twelve millimeter segmental bone defects were created in the middle of the radius bone and filled with different kinds of CPC cylindrical scaffolds. After 4, 12, and 24 weeks, alkaline phosphatase (ALP), histological assessment, and mechanical properties evaluation were performed in all three groups. After 4 weeks, ALP activity increased in all groups but was highest in Group A with smallest pore size. The new bone formation within the scaffolds was not obvious in all groups. After 12 weeks, the new bone formation within the scaffolds was obvious in each group and highest in Group A. At 24 weeks, no significant difference in new bone formation was observed among different groups. Besides the osteoconductive effect, Group A with smallest pore size also had the best mechanical properties in vivo at 12 weeks. We demonstrate that pore size has a significant effect on the osteoconductivity and mechanical properties of calcium phosphate cement porous scaffold in vivo. Small pore size favors the bone formation in the early stage and may be more suitable for repairing segmental bone defect in vivo. © 2016 International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

  15. Using Petri Net Tools to Study Properties and Dynamics of Biological Systems

    PubMed Central

    Peleg, Mor; Rubin, Daniel; Altman, Russ B.

    2005-01-01

    Petri Nets (PNs) and their extensions are promising methods for modeling and simulating biological systems. We surveyed PN formalisms and tools and compared them based on their mathematical capabilities as well as by their appropriateness to represent typical biological processes. We measured the ability of these tools to model specific features of biological systems and answer a set of biological questions that we defined. We found that different tools are required to provide all capabilities that we assessed. We created software to translate a generic PN model into most of the formalisms and tools discussed. We have also made available three models and suggest that a library of such models would catalyze progress in qualitative modeling via PNs. Development and wide adoption of common formats would enable researchers to share models and use different tools to analyze them without the need to convert to proprietary formats. PMID:15561791

  16. The Effect of Environmental Conditions on Tropical Deep Convective Systems Observed from the TRMM Satellite

    NASA Technical Reports Server (NTRS)

    Lin, Bing; Wielicki, Bruce A.; Minnis, Patrick; Chambers, Lin H.; Xu, Kuan-Man; Hu, Yongxiang; Fan, Tai-Fang

    2005-01-01

    This study uses measurements of radiation and cloud properties taken between January and August 1998 by three Tropical Rainfall Measuring Mission (TRMM) instruments, the Clouds and the Earth's Radiant Energy System (CERES) scanner, the TRMM Microwave Imager (TMI), and the Visible and InfraRed Scanner (VIRS), to evaluate the variations of tropical deep convective systems (DCS) with sea surface temperature (SST) and precipitation. This study finds that DCS precipitation efficiency increases with SST at a rate of approx. 2%/K. Despite increasing rainfall efficiency, the cloud areal coverage rises with SST at a rate of about 7%/K in the warm tropical seas. There, the boundary layer moisture supply for deep convection and the moisture transported to the upper troposphere for cirrus-anvil cloud formation increase by approx. 6.3%/K and approx. 4.0%/K, respectively. The changes in cloud formation efficiency, along with the increased transport of moisture available for cloud formation, likely contribute to the large rate of increasing DCS areal coverage. Although no direct observations are available, the increase of cloud formation efficiency with rising SST is deduced indirectly from measurements of changes in the ratio of DCS ice water path and boundary layer water vapor amount with SST. Besides the cloud areal coverage, DCS cluster effective sizes also increase with precipitation. Furthermore, other cloud properties, such as cloud total water and ice water paths, increase with SST. These changes in DCS properties will produce a negative radiative feedback for the earth's climate system due to strong reflection of shortwave radiation by the DCS. These results significantly differ from some previous hypothesized dehydration scenarios for warmer climates, and have great potential in testing current cloud-system resolving models and convective parameterizations of general circulation models.

  17. Properties of compact HII regions and their host clumps in the inner vs outer Galaxy - early results from SASSy

    NASA Astrophysics Data System (ADS)

    Djordjevic, Julie; Thompson, Mark; Urquhart, James S.

    2017-01-01

    We present a catalog of compact and ultracompact HII regions for all Galactocentric radii. Previous catalogs focus on the inner Galaxy (Rgal ≤ 8 kpc) but the recent SASSy 870 µm survey allows us to identify regions out to ~20 kpc. Early samples are also filled with false classifications leading to uncertainty when deriving star formation efficiencies in Galactic models. These objects have similar mid-IR colours to HII regions. Urquhart et al. (2013) found that they could use mid-IR, submm, and radio data to identify the genuine compact HII regions, avoiding confusion. They used this method on a small portion of the Galaxy (10 < l < 60), identifying 213 HII regions embedded in 170 clumps. We use ATLASGAL and SASSy, crossmatched with RMS, to sample the remaining galactic longitudes out to Rgal = 20 kpc. We derive the properties of the identified compact HII regions and their host clumps while addressing the implications for recent massive star formation in the outer Galaxy. Observations towards nearby galaxies are biased towards massive stars, affecting simulations and overestimating models for galactic evolution and star formation rates. The Milky Way provides the ideal template for studying factors affecting massive star formation rates and efficiencies at high resolution, thus fine-tuning those models. We find that there is no significant change in the rate of massive star formation in the outer vs inner Galaxy. Despite some peaks in known complexes and possible correlation with spiral arms, the outer Galaxy appears to produce massive stars as efficiently as the inner regions. However, many of the potential star forming SASSy clumps have no available radio counterpart to confirm the presence of an HII region or other star formation tracer. Follow-up observations will be required to verify this conclusion and are currently in progress.

  18. Scaling Relations from Sunyaev-Zel'dovich Effect and Chandra X-ray Measurements of High-Redshift Galaxy Clusters

    NASA Technical Reports Server (NTRS)

    Bonamente, Massimiliano; Joy, Marshall; LaRoque, Samuel J.; Carlstrom, John E.; Nagai, Daisuke; Marrone, Dan

    2007-01-01

    We present Sunyaev-Zel'dovich Effect (SZE) scaling relations for 38 massive galaxy clusters at redshifts 0.14 less than or equal to z less than or equal to 0.89, observed with both the Chandra X-ray Observatory and the centimeter-wave SZE imaging system at the BIMA and OVRO interferometric arrays. An isothermal ,Beta-model with central 100 kpc excluded from the X-ray data is used to model the intracluster medium and to measure global cluster properties. For each Cluster, we measure the X-ray spectroscopic temperature, SZE gas mass, total mass. and integrated Compton-gamma parameters within r(sub 2500). Our measurements are in agreement with the expectations based on a simple self-similar model of cluster formation and evolution. We compare the cluster properties derived from our SZE observations with and without Chandra spatial and spectral information and find them to be in good agreement: We compare our results with cosmological numerical simulations, and find that simulations that include radiative cooling, star formation and feedback match well both the slope and normalization of our SZE scaling relations.

  19. Effect of Different Flours on the Formation of Hydroxymethylfurfural, Furfural, and Dicarbonyl Compounds in Heated Glucose/Flour Systems

    PubMed Central

    Mesías, Marta; Morales, Francisco J.

    2017-01-01

    Traditional cereal-based foods usually include wheat flour in their formulations; however, the search for new products with new ingredients providing different properties to foods is widely pursued by food companies. Replacement of wheat by other flours can modify both nutritional properties and organoleptic characteristics of the final baked food, but can also impact the formation of potentially harmful compounds. The effect of the type of flour on the formation of furfurals and dicarbonyl compounds was studied in a dough model system during baking that contains water or glucose in order to promote the Maillard reaction and caramelization. The formation of methylglyoxal and glyoxal was significantly reduced in spelt and teff formulations compared to wheat flour formulations, respectively. In contrast, samples formulated with oat, teff, and rye showed a significant increase in the levels of 3-deoxyglucosone. Similarly, spelt and teff formulations presented significantly higher concentrations of hydroxymethylfurfural, and spelt, teff, and rye presented higher concentrations of furfural. Therefore, the formation of process contaminants and undesirable compounds in new food products formulated with different flours replacing the traditional wheat flour should be considered carefully in terms of food safety. PMID:28231092

  20. Effect of Different Flours on the Formation of Hydroxymethylfurfural, Furfural, and Dicarbonyl Compounds in Heated Glucose/Flour Systems.

    PubMed

    Mesías, Marta; Morales, Francisco J

    2017-02-16

    Traditional cereal-based foods usually include wheat flour in their formulations; however, the search for new products with new ingredients providing different properties to foods is widely pursued by food companies. Replacement of wheat by other flours can modify both nutritional properties and organoleptic characteristics of the final baked food, but can also impact the formation of potentially harmful compounds. The effect of the type of flour on the formation of furfurals and dicarbonyl compounds was studied in a dough model system during baking that contains water or glucose in order to promote the Maillard reaction and caramelization. The formation of methylglyoxal and glyoxal was significantly reduced in spelt and teff formulations compared to wheat flour formulations, respectively. In contrast, samples formulated with oat, teff, and rye showed a significant increase in the levels of 3-deoxyglucosone. Similarly, spelt and teff formulations presented significantly higher concentrations of hydroxymethylfurfural, and spelt, teff, and rye presented higher concentrations of furfural. Therefore, the formation of process contaminants and undesirable compounds in new food products formulated with different flours replacing the traditional wheat flour should be considered carefully in terms of food safety.

  1. Human vascular tissue models formed from human induced pluripotent stem cell derived endothelial cells

    PubMed Central

    Belair, David G.; Whisler, Jordan A.; Valdez, Jorge; Velazquez, Jeremy; Molenda, James A.; Vickerman, Vernella; Lewis, Rachel; Daigh, Christine; Hansen, Tyler D.; Mann, David A.; Thomson, James A.; Griffith, Linda G.; Kamm, Roger D.; Schwartz, Michael P.; Murphy, William L.

    2015-01-01

    Here we describe a strategy to model blood vessel development using a well-defined iPSC-derived endothelial cell type (iPSC-EC) cultured within engineered platforms that mimic the 3D microenvironment. The iPSC-ECs used here were first characterized by expression of endothelial markers and functional properties that included VEGF responsiveness, TNF-α-induced upregulation of cell adhesion molecules (MCAM/CD146; ICAM1/CD54), thrombin-dependent barrier function, shear stress-induced alignment, and 2D and 3D capillary-like network formation in Matrigel. The iPSC-ECs also formed 3D vascular networks in a variety of engineering contexts, yielded perfusable, interconnected lumen when co-cultured with primary human fibroblasts, and aligned with flow in microfluidics devices. iPSC-EC function during tubule network formation, barrier formation, and sprouting was consistent with that of primary ECs, and the results suggest a VEGF-independent mechanism for sprouting, which is relevant to therapeutic anti-angiogenesis strategies. Our combined results demonstrate the feasibility of using a well-defined, stable source of iPSC-ECs to model blood vessel formation within a variety of contexts using standard in vitro formats. PMID:25190668

  2. Star formation in evolving molecular clouds

    NASA Astrophysics Data System (ADS)

    Völschow, M.; Banerjee, R.; Körtgen, B.

    2017-09-01

    Molecular clouds are the principle stellar nurseries of our universe; they thus remain a focus of both observational and theoretical studies. From observations, some of the key properties of molecular clouds are well known but many questions regarding their evolution and star formation activity remain open. While numerical simulations feature a large number and complexity of involved physical processes, this plethora of effects may hide the fundamentals that determine the evolution of molecular clouds and enable the formation of stars. Purely analytical models, on the other hand, tend to suffer from rough approximations or a lack of completeness, limiting their predictive power. In this paper, we present a model that incorporates central concepts of astrophysics as well as reliable results from recent simulations of molecular clouds and their evolutionary paths. Based on that, we construct a self-consistent semi-analytical framework that describes the formation, evolution, and star formation activity of molecular clouds, including a number of feedback effects to account for the complex processes inside those objects. The final equation system is solved numerically but at much lower computational expense than, for example, hydrodynamical descriptions of comparable systems. The model presented in this paper agrees well with a broad range of observational results, showing that molecular cloud evolution can be understood as an interplay between accretion, global collapse, star formation, and stellar feedback.

  3. Three-Dimensional Modeling of the Reactive Transport of CO2 and Its Impact on Geomechanical Properties of Reservoir Rocks and Seals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nguyen, Ba Nghiep; Hou, Zhangshuan; Bacon, Diana H.

    This article develops a novel multiscale modeling approach to analyze CO2 reservoirs using Pacific Northwest National Laboratory’s STOMP-CO2-R code that is interfaced with the ABAQUS® finite element package. The STOMP-CO2-R/ABAQUS® sequentially coupled simulator accounts for the reactive transport of CO2 causing mineral composition changes that modify the geomechanical properties of reservoir rocks and seals. Formation rocks’ elastic properties that vary during CO2 injection and govern the poroelastic behavior of rocks are modeled by an Eshelby-Mori-Tanka approach (EMTA) implemented in ABAQUS® via user-subroutines. The computational tool incorporates the change in rock permeability due to both geochemistry and geomechanics. A three-dimensional (3D)more » STOMP-CO2-R model for a model CO2 reservoir containing a vertical fault is built to analyze a formation containing a realistic geochemical reaction network with 5 minerals: albite, anorthite, calcite, kaolinite and quartz. A 3D ABAQUS® model that maps the above STOMP-CO2-R model is built for the analysis using STOMP-CO2-R/ABAQUS®. The results show that the changes in volume fraction of minerals include dissolution of anorthite, precipitation of calcite and kaolinite, with little change in the albite volume fraction. After a long period of CO2 injection the mineralogical and geomechanical changes significantly reduced the permeability and elastic modulus of the reservoir (between the base and caprock) in front of the fault leading to a reduction of the pressure margin to fracture at and beyond the injection location. The impact of reactive transport of CO2 on the geomechanical properties of reservoir rocks and seals are studied in terms of mineral composition changes that directly affect the rock stiffness, stress and strain distributions as well as the pressure margin to fracture.« less

  4. Monosized aggregates -- A new model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gopal, M.

    1997-08-01

    For applications requiring colloidal particles, it is desirable that they be monosized to better control the structure and the properties. In a number of systems, the monosized particles come together to form aggregates that are also monosized. A model is presented here to explain the formation of these monosized aggregates. This is of particular importance in the fields of ceramics, catalysis, pigments, pharmacy, photographic emulsions, etc.

  5. Action-based verification of RTCP-nets with CADP

    NASA Astrophysics Data System (ADS)

    Biernacki, Jerzy; Biernacka, Agnieszka; Szpyrka, Marcin

    2015-12-01

    The paper presents an RTCP-nets' (real-time coloured Petri nets) coverability graphs into Aldebaran format translation algorithm. The approach provides the possibility of automatic RTCP-nets verification using model checking techniques provided by the CADP toolbox. An actual fire alarm control panel system has been modelled and several of its crucial properties have been verified to demonstrate the usability of the approach.

  6. Enhancement of the Mechanical Properties of Basalt Fiber-Wood-Plastic Composites via Maleic Anhydride Grafted High-Density Polyethylene (MAPE) Addition

    PubMed Central

    Chen, Jinxiang; Wang, Yong; Gu, Chenglong; Liu, Jianxun; Liu, Yufu; Li, Min; Lu, Yun

    2013-01-01

    This study investigated the mechanisms, using microscopy and strength testing approaches, by which the addition of maleic anhydride grafted high-density polyethylene (MAPE) enhances the mechanical properties of basalt fiber-wood-plastic composites (BF-WPCs). The maximum values of the specific tensile and flexural strengths areachieved at a MAPE content of 5%–8%. The elongation increases rapidly at first and then continues slowly. The nearly complete integration of the wood fiber with the high-density polyethylene upon MAPE addition to WPC is examined, and two models of interfacial behavior are proposed. We examined the physical significance of both interfacial models and their ability to accurately describe the effects of MAPE addition. The mechanism of formation of the Model I interface and the integrated matrix is outlined based on the chemical reactions that may occur between the various components as a result of hydrogen bond formation or based on the principle of compatibility, resulting from similar polarity. The Model I fracture occurred on the outer surface of the interfacial layer, visually demonstrating the compatibilization effect of MAPE addition. PMID:28809285

  7. The fuzzy oil drop model, based on hydrophobicity density distribution, generalizes the influence of water environment on protein structure and function.

    PubMed

    Banach, Mateusz; Konieczny, Leszek; Roterman, Irena

    2014-10-21

    In this paper we show that the fuzzy oil drop model represents a general framework for describing the generation of hydrophobic cores in proteins and thus provides insight into the influence of the water environment upon protein structure and stability. The model has been successfully applied in the study of a wide range of proteins, however this paper focuses specifically on domains representing immunoglobulin-like folds. Here we provide evidence that immunoglobulin-like domains, despite being structurally similar, differ with respect to their participation in the generation of hydrophobic core. It is shown that β-structural fragments in β-barrels participate in hydrophobic core formation in a highly differentiated manner. Quantitatively measured participation in core formation helps explain the variable stability of proteins and is shown to be related to their biological properties. This also includes the known tendency of immunoglobulin domains to form amyloids, as shown using transthyretin to reveal the clear relation between amyloidogenic properties and structural characteristics based on the fuzzy oil drop model. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  8. On the Spatially Resolved Star Formation History in M51. II. X-Ray Binary Population Evolution

    NASA Astrophysics Data System (ADS)

    Lehmer, B. D.; Eufrasio, R. T.; Markwardt, L.; Zezas, A.; Basu-Zych, A.; Fragos, T.; Hornschemeier, A. E.; Ptak, A.; Tzanavaris, P.; Yukita, M.

    2017-12-01

    We present a new technique for empirically calibrating how the X-ray luminosity function (XLF) of X-ray binary (XRB) populations evolves following a star formation event. We first utilize detailed stellar population synthesis modeling of far-UV-to-far-IR photometry of the nearby face-on spiral galaxy M51 to construct maps of the star formation histories (SFHs) on subgalactic (≈400 pc) scales. Next, we use the ≈850 ks cumulative Chandra exposure of M51 to identify and isolate 2-7 keV detected point sources within the galaxy, and we use our SFH maps to recover the local properties of the stellar populations in which each X-ray source is located. We then divide the galaxy into various subregions based on their SFH properties (e.g., star formation rate (SFR) per stellar mass ({M}\\star ) and mass-weighted stellar age) and group the X-ray point sources according to the characteristics of the regions in which they are found. Finally, we construct and fit a parameterized XLF model that quantifies how the XLF shape and normalization evolves as a function of the XRB population age Our best-fit model indicates that the XRB XLF per unit stellar mass declines in normalization, by ˜3-3.5 dex, and steepens in slope from ≈10 Myr to ≈10 Gyr. We find that our technique recovers results from past studies of how XRB XLFs and XRB luminosity scaling relations vary with age and provides a self-consistent picture for how XRB XLFs evolve with age.

  9. Interfacial rheology of model particles at liquid interfaces and its relation to (bicontinuous) Pickering emulsions

    NASA Astrophysics Data System (ADS)

    Thijssen, J. H. J.; Vermant, J.

    2018-01-01

    Interface-dominated materials are commonly encountered in both science and technology, and typical examples include foams and emulsions. Conventionally stabilised by surfactants, emulsions can also be stabilised by micron-sized particles. These so-called Pickering-Ramsden (PR) emulsions have received substantial interest, as they are model arrested systems, rather ubiquitous in industry and promising templates for advanced materials. The mechanical properties of the particle-laden liquid-liquid interface, probed via interfacial rheology, have been shown to play an important role in the formation and stability of PR emulsions. However, the morphological processes which control the formation of emulsions and foams in mixing devices, such as deformation, break-up, and coalescence, are complex and diverse, making it difficult to identify the precise role of the interfacial rheological properties. Interestingly, the role of interfacial rheology in the stability of bicontinuous PR emulsions (bijels) has been virtually unexplored, even though the phase separation process which leads to the formation of these systems is relatively simple and the interfacial deformation processes can be better conceptualised. Hence, the aims of this topical review are twofold. First, we review the existing literature on the interfacial rheology of particle-laden liquid interfaces in rheometrical flows, focussing mainly on model latex suspensions consisting of polystyrene particles carrying sulfate groups, which have been most extensively studied to date. The goal of this part of the review is to identify the generic features of the rheology of such systems. Secondly, we will discuss the relevance of these results to the formation and stability of PR emulsions and bijels.

  10. Plasma ignition and steady state simulations of the Linac4 H- ion source

    NASA Astrophysics Data System (ADS)

    Mattei, S.; Ohta, M.; Yasumoto, M.; Hatayama, A.; Lettry, J.; Grudiev, A.

    2014-02-01

    The RF heating of the plasma in the Linac4 H- ion source has been simulated using a particle-in-cell Monte Carlo collision method. This model is applied to investigate the plasma formation starting from an initial low electron density of 1012 m-3 and its stabilization at 1018 m-3. The plasma discharge at low electron density is driven by the capacitive coupling with the electric field generated by the antenna, and as the electron density increases the capacitive electric field is shielded by the plasma and induction drives the plasma heating process. Plasma properties such as e-/ion densities and energies, sheath formation, and shielding effect are presented and provide insight to the plasma properties of the hydrogen plasma.

  11. Calibrated Hydrothermal Parameters, Barrow, Alaska, 2013

    DOE Data Explorer

    Atchley, Adam; Painter, Scott; Harp, Dylan; Coon, Ethan; Wilson, Cathy; Liljedahl, Anna; Romanovsky, Vladimir

    2015-01-29

    A model-observation-experiment process (ModEx) is used to generate three 1D models of characteristic micro-topographical land-formations, which are capable of simulating present active thaw layer (ALT) from current climate conditions. Each column was used in a coupled calibration to identify moss, peat and mineral soil hydrothermal properties to be used in up-scaled simulations. Observational soil temperature data from a tundra site located near Barrow, AK (Area C) is used to calibrate thermal properties of moss, peat, and sandy loam soil to be used in the multiphysics Advanced Terrestrial Simulator (ATS) models. Simulation results are a list of calibrated hydrothermal parameters for moss, peat, and mineral soil hydrothermal parameters.

  12. Investigating Hydrophilic Pores in Model Lipid Bilayers using Molecular Simulations: Correlating Bilayer Properties with Pore Formation Thermodynamics

    PubMed Central

    Hu, Yuan; Sinha, Sudipta Kumar

    2015-01-01

    Cell-penetrating and antimicrobial peptides show remarkable ability to translocate across physiological membranes. Along with factors such as electric potential induced-perturbations of membrane structure and surface tension effects, experiments invoke pore-like membrane configurations during the solute transfer process into vesicles and cells. The initiation and formation of pores are associated with a non-trivial free energy cost, thus necessitating consideration of the factors associated with pore formation and attendant free energetics. Due to experimental and modeling challenges related to the long timescales of the translocation process, we use umbrella-sampling molecular dynamics simulations with a lipid-density based order parameter to investigate membrane pore-formation free energy employing Martini coarse-grained models. We investigate structure and thermodynamic features of the pore in 18 lipids spanning a range of head-groups, charge states, acyl chain lengths and saturation. We probe the dependence of pore-formation barriers on area per lipid, lipid bilayer thickness, membrane bending rigidities in three different lipid classes. The pore formation free energy in pure bilayers and peptide translocating scenarios are significantly coupled with bilayer thickness. Thicker bilayers require more reversible work to create pores. Pore formation free energy is higher in peptide-lipid systems relative to the peptide-free lipid systems due to penalties to maintain solvation of charged hydrophilic solutes within the membrane environment. PMID:25614183

  13. Investigating Hydrophilic Pores in Model Lipid Bilayers Using Molecular Simulations: Correlating Bilayer Properties with Pore-Formation Thermodynamics.

    PubMed

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2015-06-23

    Cell-penetrating and antimicrobial peptides show a remarkable ability to translocate across physiological membranes. Along with factors such as electric-potential-induced perturbations of membrane structure and surface tension effects, experiments invoke porelike membrane configurations during the solute transfer process into vesicles and cells. The initiation and formation of pores are associated with a nontrivial free-energy cost, thus necessitating a consideration of the factors associated with pore formation and the attendant free energies. Because of experimental and modeling challenges related to the long time scales of the translocation process, we use umbrella sampling molecular dynamics simulations with a lipid-density-based order parameter to investigate membrane-pore-formation free energy employing Martini coarse-grained models. We investigate structure and thermodynamic features of the pore in 18 lipids spanning a range of headgroups, charge states, acyl chain lengths, and saturation. We probe the dependence of pore-formation barriers on the area per lipid, lipid bilayer thickness, and membrane bending rigidities in three different lipid classes. The pore-formation free energy in pure bilayers and peptide translocating scenarios are significantly coupled with bilayer thickness. Thicker bilayers require more reversible work to create pores. The pore-formation free energy is higher in peptide-lipid systems than in peptide-free lipid systems due to penalties to maintain the solvation of charged hydrophilic solutes within the membrane environment.

  14. I. Jet Formation and Evolution Due to 3D Magnetic Reconnection

    NASA Astrophysics Data System (ADS)

    González-Avilés, J. J.; Guzmán, F. S.; Fedun, V.; Verth, G.; Shelyag, S.; Regnier, S.

    2018-04-01

    Using simulated data-driven, 3D resistive MHD simulations of the solar atmosphere, we show that 3D magnetic reconnection may be responsible for the formation of jets with the characteristics of Type II spicules. We numerically model the photosphere-corona region using the C7 equilibrium atmosphere model. The initial magnetic configuration is a 3D potential magnetic field, extrapolated up to the solar corona region from a dynamic realistic simulation of the solar photospheric magnetoconvection model that mimics the quiet-Sun. In this case, we consider a uniform and constant value of the magnetic resistivity of 12.56 Ω m. We have found that the formation of the jet depends on the Lorentz force, which helps to accelerate the plasma upward. Analyzing various properties of the jet dynamics, we found that the jet structure shows a Doppler shift close to regions with high vorticity. The morphology, the upward velocity covering a range up to 130 km s‑1, and the timescale formation of the structure between 60 and 90 s, are similar to those expected for Type II spicules.

  15. Dynamics of proteins aggregation. II. Dynamic scaling in confined media

    NASA Astrophysics Data System (ADS)

    Zheng, Size; Shing, Katherine S.; Sahimi, Muhammad

    2018-03-01

    In this paper, the second in a series devoted to molecular modeling of protein aggregation, a mesoscale model of proteins together with extensive discontinuous molecular dynamics simulation is used to study the phenomenon in a confined medium. The medium, as a model of a crowded cellular environment, is represented by a spherical cavity, as well as cylindrical tubes with two aspect ratios. The aggregation process leads to the formation of β sheets and eventually fibrils, whose deposition on biological tissues is believed to be a major factor contributing to many neuro-degenerative diseases, such as Alzheimer's, Parkinson's, and amyotrophic lateral sclerosis diseases. Several important properties of the aggregation process, including dynamic evolution of the total number of the aggregates, the mean aggregate size, and the number of peptides that contribute to the formation of the β sheets, have been computed. We show, similar to the unconfined media studied in Paper I [S. Zheng et al., J. Chem. Phys. 145, 134306 (2016)], that the computed properties follow dynamic scaling, characterized by power laws. The existence of such dynamic scaling in unconfined media was recently confirmed by experiments. The exponents that characterize the power-law dependence on time of the properties of the aggregation process in spherical cavities are shown to agree with those in unbounded fluids at the same protein density, while the exponents for aggregation in the cylindrical tubes exhibit sensitivity to the geometry of the system. The effects of the number of amino acids in the protein, as well as the size of the confined media, have also been studied. Similarities and differences between aggregation in confined and unconfined media are described, including the possibility of no fibril formation, if confinement is severe.

  16. Modulating STDP Balance Impacts the Dendritic Mosaic

    PubMed Central

    Iannella, Nicolangelo; Launey, Thomas

    2017-01-01

    The ability for cortical neurons to adapt their input/output characteristics and information processing capabilities ultimately relies on the interplay between synaptic plasticity, synapse location, and the nonlinear properties of the dendrite. Collectively, they shape both the strengths and spatial arrangements of convergent afferent inputs to neuronal dendrites. Recent experimental and theoretical studies support a clustered plasticity model, a view that synaptic plasticity promotes the formation of clusters or hotspots of synapses sharing similar properties. We have previously shown that spike timing-dependent plasticity (STDP) can lead to synaptic efficacies being arranged into spatially segregated clusters. This effectively partitions the dendritic tree into a tessellated imprint which we have called a dendritic mosaic. Here, using a biophysically detailed neuron model of a reconstructed layer 2/3 pyramidal cell and STDP learning, we investigated the impact of altered STDP balance on forming such a spatial organization. We show that cluster formation and extend depend on several factors, including the balance between potentiation and depression, the afferents' mean firing rate and crucially on the dendritic morphology. We find that STDP balance has an important role to play for this emergent mode of spatial organization since any imbalances lead to severe degradation- and in some case even destruction- of the mosaic. Our model suggests that, over a broad range of of STDP parameters, synaptic plasticity shapes the spatial arrangement of synapses, favoring the formation of clustered efficacy engrams. PMID:28649195

  17. Mass Transport and Turbulence in Gravitationally Unstable Disk Galaxies. I. The Case of Pure Self-gravity

    NASA Astrophysics Data System (ADS)

    Goldbaum, Nathan J.; Krumholz, Mark R.; Forbes, John C.

    2015-12-01

    The role of gravitational instability-driven turbulence in determining the structure and evolution of disk galaxies, and the extent to which gravity rather than feedback can explain galaxy properties, remains an open question. To address it, we present high-resolution adaptive mesh refinement simulations of Milky Way-like isolated disk galaxies, including realistic heating and cooling rates and a physically motivated prescription for star formation, but no form of star formation feedback. After an initial transient, our galaxies reach a state of fully nonlinear gravitational instability. In this state, gravity drives turbulence and radial inflow. Despite the lack of feedback, the gas in our galaxy models shows substantial turbulent velocity dispersions, indicating that gravitational instability alone may be able to power the velocity dispersions observed in nearby disk galaxies on 100 pc scales. Moreover, the rate of mass transport produced by this turbulence approaches ˜ 1 {M}⊙ yr-1 for Milky Way-like conditions, sufficient to fully fuel star formation in the inner disks of galaxies. In a companion paper, we add feedback to our models, and use the comparison between the two cases to understand which galaxy properties depend sensitively on feedback and which can be understood as the product of gravity alone. All of the code, initial conditions, and simulation data for our model are publicly available.

  18. A genetic meta-algorithm-assisted inversion approach: hydrogeological study for the determination of volumetric rock properties and matrix and fluid parameters in unsaturated formations

    NASA Astrophysics Data System (ADS)

    Szabó, Norbert Péter

    2018-03-01

    An evolutionary inversion approach is suggested for the interpretation of nuclear and resistivity logs measured by direct-push tools in shallow unsaturated sediments. The efficiency of formation evaluation is improved by estimating simultaneously (1) the petrophysical properties that vary rapidly along a drill hole with depth and (2) the zone parameters that can be treated as constant, in one inversion procedure. In the workflow, the fractional volumes of water, air, matrix and clay are estimated in adjacent depths by linearized inversion, whereas the clay and matrix properties are updated using a float-encoded genetic meta-algorithm. The proposed inversion method provides an objective estimate of the zone parameters that appear in the tool response equations applied to solve the forward problem, which can significantly increase the reliability of the petrophysical model as opposed to setting these parameters arbitrarily. The global optimization meta-algorithm not only assures the best fit between the measured and calculated data but also gives a reliable solution, practically independent of the initial model, as laboratory data are unnecessary in the inversion procedure. The feasibility test uses engineering geophysical sounding logs observed in an unsaturated loessy-sandy formation in Hungary. The multi-borehole extension of the inversion technique is developed to determine the petrophysical properties and their estimation errors along a profile of drill holes. The genetic meta-algorithmic inversion method is recommended for hydrogeophysical logging applications of various kinds to automatically extract the volumetric ratios of rock and fluid constituents as well as the most important zone parameters in a reliable inversion procedure.

  19. Model of superconductivity formation on ideal crystal lattice defect–twin or twin boundary (MSC-TB)

    NASA Astrophysics Data System (ADS)

    Chizhov, V. A.; Zaitsev, F. S.; Bychkov, V. L.

    2018-03-01

    The report provides a review of the experimental material on superconductivity (SP) accumulated by 2017, a critical analysis of the Bardeen-Cooper-Schrieffer theory (BCS) has been given, and a new model of the super-conductivity effect proposed in works of V.A. Chizhov has been presented. The new model allows to understand the mechanism of the SP formation and to explain many experimental facts on the basis of the theory of pro-cesses occurring in the ideal defect of the crystal lattice – the twinning boundary (MSC-TB). Specific materials, including new ones, are described, which, in accordance with the theory of MSC-TB, should have improved properties of SC, promising directions for further research are formulated.

  20. Galaxy Formation At Extreme Redshifts: Semi-Analytic Model Predictions And Challenges For Observations

    NASA Astrophysics Data System (ADS)

    Yung, L. Y. Aaron; Somerville, Rachel S.

    2017-06-01

    The well-established Santa Cruz semi-analytic galaxy formation framework has been shown to be quite successful at explaining observations in the local Universe, as well as making predictions for low-redshift observations. Recently, metallicity-based gas partitioning and H2-based star formation recipes have been implemented in our model, replacing the legacy cold-gas based recipe. We then use our revised model to explore the high-redshift Universe and make predictions up to z = 15. Although our model is only calibrated to observations from the local universe, our predictions seem to match incredibly well with mid- to high-redshift observational constraints available-to-date, including rest-frame UV luminosity functions and the reionization history as constrained by CMB and IGM observations. We provide predictions for individual and statistical galaxy properties at a wide range of redshifts (z = 4 - 15), including objects that are too far or too faint to be detected with current facilities. And using our model predictions, we also provide forecasted luminosity functions and other observables for upcoming studies with JWST.

  1. Chondrules: The canonical and noncanonical views

    NASA Astrophysics Data System (ADS)

    Connolly, Harold C.; Jones, Rhian H.

    2016-10-01

    Millimeter-scale rock particles called chondrules are the principal components of the most common meteorites, chondrites. Hence, chondrules were arguably the most abundant components of the early solar system at the time of planetesimal accretion. Despite their fundamental importance, the existence of chondrules would not be predicted from current observations and models of young planetary systems. There are many different models for chondrule formation, but no single model satisfies the many constraints determined from their mineralogical and chemical properties and from chondrule analog experiments. Significant recent progress has shown that several models can satisfy first-order constraints and successfully reproduce chondrule thermal histories. However, second- and third-order constraints such as chondrule size ranges, open system behavior, oxidation states, reheating, and chemical diversity have not generally been addressed. Chondrule formation models include those based on processes that are known to occur in protoplanetary disk environments, including interactions with the early active Sun, impacts and collisions between planetary bodies, and radiative heating. Other models for chondrule heating mechanisms are based on hypothetical processes that are possible but have not been observed, like shock waves, planetesimal bow shocks, and lightning. We examine the evidence for the canonical view of chondrule formation, in which chondrules were free-floating particles in the protoplanetary disk, and the noncanonical view, in which chondrules were the by-products of planetesimal formation. The fundamental difference between these approaches has a bearing on the importance of chondrules during planet formation and the relevance of chondrules to interpreting the evolution of protoplanetary disks and planetary systems.

  2. Modelling dewatering behaviour through an understanding of solids formation processes. Part II--solids separation considerations.

    PubMed

    Dustan, A C; Cohen, B; Petrie, J G

    2005-05-30

    An understanding of the mechanisms which control solids formation can provide information on the characteristics of the solids which are formed. The nature of the solids formed in turn impacts on dewatering behaviour. The 'upstream' solids formation determines a set of suspension characteristics: solids concentration, particle size distribution, solution ionic strength and electrostatic surface potential. These characteristics together define the suspension's rheological properties. However, the complicated interdependence of these has precluded the prediction of suspension rheology from such a fundamental description of suspension characteristics. Recent shear yield stress models, applied in this study to compressive yield, significantly reduce the empiricism required for the description of compressive rheology. Suspension compressibility and permeability uniquely define the dewatering behaviour, described in terms of settling, filtration and mechanical expression. These modes of dewatering may be described in terms of the same fundamental suspension mechanics model. In this way, it is possible to link dynamically the processes of solids formation and dewatering of the resultant suspension. This, ultimately, opens the door to improved operability of these processes. In part I of this paper we introduced an integrated system model for solids formation and dewatering. This model was demonstrated for the upstream processes using experimental data. In this current paper models of colloidal interactions and dewatering are presented and compared to experimental results from batch filtration tests. A novel approach to predicting suspension compressibility and permeability using a single test configuration is presented and tested.

  3. Dynamic mineral clouds on HD 189733b. II. Monte Carlo radiative transfer for 3D cloudy exoplanet atmospheres: combining scattering and emission spectra

    NASA Astrophysics Data System (ADS)

    Lee, G. K. H.; Wood, K.; Dobbs-Dixon, I.; Rice, A.; Helling, Ch.

    2017-05-01

    Context. As the 3D spatial properties of exoplanet atmospheres are being observed in increasing detail by current and new generations of telescopes, the modelling of the 3D scattering effects of cloud forming atmospheres with inhomogeneous opacity structures becomes increasingly important to interpret observational data. Aims: We model the scattering and emission properties of a simulated cloud forming, inhomogeneous opacity, hot Jupiter atmosphere of HD 189733b. We compare our results to available Hubble Space Telescope (HST) and Spitzer data and quantify the effects of 3D multiple scattering on observable properties of the atmosphere. We discuss potential observational properties of HD 189733b for the upcoming Transiting Exoplanet Survey Satellite (TESS) and CHaracterising ExOPlanet Satellite (CHEOPS) missions. Methods: We developed a Monte Carlo radiative transfer code and applied it to post-process output of our 3D radiative-hydrodynamic, cloud formation simulation of HD 189733b. We employed three variance reduction techniques, I.e. next event estimation, survival biasing, and composite emission biasing, to improve signal to noise of the output. For cloud particle scattering events, we constructed a log-normal area distribution from the 3D cloud formation radiative-hydrodynamic results, which is stochastically sampled in order to model the Rayleigh and Mie scattering behaviour of a mixture of grain sizes. Results: Stellar photon packets incident on the eastern dayside hemisphere show predominantly Rayleigh, single-scattering behaviour, while multiple scattering occurs on the western hemisphere. Combined scattered and thermal emitted light predictions are consistent with published HST and Spitzer secondary transit observations. Our model predictions are also consistent with geometric albedo constraints from optical wavelength ground-based polarimetry and HST B band measurements. We predict an apparent geometric albedo for HD 189733b of 0.205 and 0.229, in the TESS and CHEOPS photometric bands respectively. Conclusions: Modelling the 3D geometric scattering effects of clouds on observables of exoplanet atmospheres provides an important contribution to the attempt to determine the cloud properties of these objects. Comparisons between TESS and CHEOPS photometry may provide qualitative information on the cloud properties of nearby hot Jupiter exoplanets.

  4. Seismic properties of fluid bearing formations in magmatic geothermal systems: can we directly detect geothermal activity with seismic methods?

    NASA Astrophysics Data System (ADS)

    Grab, Melchior; Scott, Samuel; Quintal, Beatriz; Caspari, Eva; Maurer, Hansruedi; Greenhalgh, Stewart

    2016-04-01

    Seismic methods are amongst the most common techniques to explore the earth's subsurface. Seismic properties such as velocities, impedance contrasts and attenuation enable the characterization of the rocks in a geothermal system. The most important goal of geothermal exploration, however, is to describe the enthalpy state of the pore fluids, which act as the main transport medium for the geothermal heat, and to detect permeable structures such as fracture networks, which control the movement of these pore fluids in the subsurface. Since the quantities measured with seismic methods are only indirectly related with the fluid state and the rock permeability, the interpretation of seismic datasets is difficult and usually delivers ambiguous results. To help overcome this problem, we use a numerical modeling tool that quantifies the seismic properties of fractured rock formations that are typically found in magmatic geothermal systems. We incorporate the physics of the pore fluids, ranging from the liquid to the boiling and ultimately vapor state. Furthermore, we consider the hydromechanics of permeable structures at different scales from small cooling joints to large caldera faults as are known to be present in volcanic systems. Our modeling techniques simulate oscillatory compressibility and shear tests and yield the P- and S-wave velocities and attenuation factors of fluid saturated fractured rock volumes. To apply this modeling technique to realistic scenarios, numerous input parameters need to be indentified. The properties of the rock matrix and individual fractures were derived from extensive literature research including a large number of laboratory-based studies. The geometries of fracture networks were provided by structural geologists from their published studies of outcrops. Finally, the physical properties of the pore fluid, ranging from those at ambient pressures and temperatures up to the supercritical conditions, were taken from the fluid physics literature. The results of this study allow us to describe the seismic properties as a function of hydrothermal and geological features. We use it in a forward seismic modeling study to examine how the seismic response changes with temporally and/or spatially varying fluid properties.

  5. A machine learning approach to galaxy-LSS classification - I. Imprints on halo merger trees

    NASA Astrophysics Data System (ADS)

    Hui, Jianan; Aragon, Miguel; Cui, Xinping; Flegal, James M.

    2018-04-01

    The cosmic web plays a major role in the formation and evolution of galaxies and defines, to a large extent, their properties. However, the relation between galaxies and environment is still not well understood. Here, we present a machine learning approach to study imprints of environmental effects on the mass assembly of haloes. We present a galaxy-LSS machine learning classifier based on galaxy properties sensitive to the environment. We then use the classifier to assess the relevance of each property. Correlations between galaxy properties and their cosmic environment can be used to predict galaxy membership to void/wall or filament/cluster with an accuracy of 93 per cent. Our study unveils environmental information encoded in properties of haloes not normally considered directly dependent on the cosmic environment such as merger history and complexity. Understanding the physical mechanism by which the cosmic web is imprinted in a halo can lead to significant improvements in galaxy formation models. This is accomplished by extracting features from galaxy properties and merger trees, computing feature scores for each feature and then applying support vector machine (SVM) to different feature sets. To this end, we have discovered that the shape and depth of the merger tree, formation time, and density of the galaxy are strongly associated with the cosmic environment. We describe a significant improvement in the original classification algorithm by performing LU decomposition of the distance matrix computed by the feature vectors and then using the output of the decomposition as input vectors for SVM.

  6. Laboratory Simulations of Haze Formation in the Atmospheres of Super-Earths and Mini-Neptunes: Particle Color and Size Distribution

    NASA Astrophysics Data System (ADS)

    He, Chao; Hörst, Sarah M.; Lewis, Nikole K.; Yu, Xinting; Moses, Julianne I.; Kempton, Eliza M.-R.; McGuiggan, Patricia; Morley, Caroline V.; Valenti, Jeff A.; Vuitton, Véronique

    2018-03-01

    Super-Earths and mini-Neptunes are the most abundant types of planets among the ∼3500 confirmed exoplanets, and are expected to exhibit a wide variety of atmospheric compositions. Recent transmission spectra of super-Earths and mini-Neptunes have demonstrated the possibility that exoplanets have haze/cloud layers at high altitudes in their atmospheres. However, the compositions, size distributions, and optical properties of these particles in exoplanet atmospheres are poorly understood. Here, we present the results of experimental laboratory investigations of photochemical haze formation within a range of planetary atmospheric conditions, as well as observations of the color and size of produced haze particles. We find that atmospheric temperature and metallicity strongly affect particle color and size, thus altering the particles’ optical properties (e.g., absorptivity, scattering, etc.); on a larger scale, this affects the atmospheric and surface temperature of the exoplanets, and their potential habitability. Our results provide constraints on haze formation and particle properties that can serve as critical inputs for exoplanet atmosphere modeling, and guide future observations of super-Earths and mini-Neptunes with the Transiting Exoplanet Survey Satellite, the James Webb Space Telescope, and the Wide-Field Infrared Survey Telescope.

  7. Chitosan-poly(lactide-co-glycolide) microsphere-based scaffolds for bone tissue engineering: in vitro degradation and in vivo bone regeneration studies.

    PubMed

    Jiang, Tao; Nukavarapu, Syam P; Deng, Meng; Jabbarzadeh, Ehsan; Kofron, Michelle D; Doty, Stephen B; Abdel-Fattah, Wafa I; Laurencin, Cato T

    2010-09-01

    Natural polymer chitosan and synthetic polymer poly(lactide-co-glycolide) (PLAGA) have been investigated for a variety of tissue engineering applications. We have previously reported the fabrication and in vitro evaluation of a novel chitosan/PLAGA sintered microsphere scaffold for load-bearing bone tissue engineering applications. In this study, the in vitro degradation characteristics of the chitosan/PLAGA scaffold and the in vivo bone formation capacity of the chitosan/PLAGA-based scaffolds in a rabbit ulnar critical-sized-defect model were investigated. The chitosan/PLAGA scaffold showed slower degradation than the PLAGA scaffold in vitro. Although chitosan/PLAGA scaffold showed a gradual decrease in compressive properties during the 12-week degradation period, the compressive strength and compressive modulus remained in the range of human trabecular bone. Chitosan/PLAGA-based scaffolds were able to guide bone formation in a rabbit ulnar critical-sized-defect model. Microcomputed tomography analysis demonstrated that successful bridging of the critical-sized defect on the sides both adjacent to and away from the radius occurred using chitosan/PLAGA-based scaffolds. Immobilization of heparin and recombinant human bone morphogenetic protein-2 on the chitosan/PLAGA scaffold surface promoted early bone formation as evidenced by complete bridging of the defect along the radius and significantly enhanced mechanical properties when compared to the chitosan/PLAGA scaffold. Furthermore, histological analysis suggested that chitosan/PLAGA-based scaffolds supported normal bone formation via intramembranous formation. 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  8. Negative effect of rapidly resorbing properties of bioactive glass-ceramics as bone graft substitute in a rabbit lumbar fusion model.

    PubMed

    Lee, Jae Hyup; Ryu, Hyun-Seung; Seo, Jun-Hyuk; Lee, Do-Yoon; Chang, Bong-Soon; Lee, Choon-Ki

    2014-03-01

    Bioactive glass-ceramics have the ability to directly bind to bones and have been widely used as bone graft substitutes due to their high osteoconductivity and biocompatibility. CaO-SiO2-P2O5-B2O3 glass-ceramics are known to have good osteoconductivity and are used as bone graft extenders. This study aimed to evaluate the effects of the resorbing properties of glass-ceramics in bone fusion after producing and analyzing three types of CaO-SiO2-P2O5-B2O3 glass-ceramics with high osteoconductivity that had enhanced resorption by having an increased B2O3 content. The three types of CaO-SiO2-P2O5-B2O3 glass-ceramics with B2O3 contents of 8.0, 9.0, and 9.5 weight % were designated and grouped as P20B80, P10B90, and P5B95, respectively. Glass-ceramic types were tested for fusion rates and bone formation by employing the lumbar 5-6 intertransverse process fusion model in 51 New Zealand male rabbits. Bioactivity was assessed by soaking in simulated body fluid (SBF). In vitro study results showed sufficient hydroxycarbonate apatite layer formation occurred for P20B80 in1 day, for P10B90 in 3 days, and for P5B95 in 5 days after soaking in SBF. For the rabbit lumbar spine posterolateral fusion model, the autograft group recorded a 100% fusion rate with levels significantly higher than those of P20B80 (29.4%), P10B90 (0%), and P5B95 (14.3%), with high resorbing properties. Resorbing property differences among the three glass-ceramic groups were not significant. Histological results showed new bone formation confirming osteoconductivity in all three types of glass-ceramics. Radiomorphometric results also confirmed the resorbing properties of the three glass-ceramic types. The high resorbing properties and osteoconductivity of porous glass-ceramics can be advantageous as no glass-ceramics remain in the body. However, their relatively fast rate of resorption in the body negatively affects their role as an osteoconductive scaffold as glass-ceramics are resorbed before bony fusion.

  9. Negative Effect of Rapidly Resorbing Properties of Bioactive Glass-Ceramics as Bone Graft Substitute in a Rabbit Lumbar Fusion Model

    PubMed Central

    Lee, Jae Hyup; Ryu, Hyun-Seung; Seo, Jun-Hyuk; Lee, Do-Yoon; Chang, Bong-Soon

    2014-01-01

    Background Bioactive glass-ceramics have the ability to directly bind to bones and have been widely used as bone graft substitutes due to their high osteoconductivity and biocompatibility. CaO-SiO2-P2O5-B2O3 glass-ceramics are known to have good osteoconductivity and are used as bone graft extenders. Methods This study aimed to evaluate the effects of the resorbing properties of glass-ceramics in bone fusion after producing and analyzing three types of CaO-SiO2-P2O5-B2O3 glass-ceramics with high osteoconductivity that had enhanced resorption by having an increased B2O3 content. The three types of CaO-SiO2-P2O5-B2O3 glass-ceramics with B2O3 contents of 8.0, 9.0, and 9.5 weight % were designated and grouped as P20B80, P10B90, and P5B95, respectively. Glass-ceramic types were tested for fusion rates and bone formation by employing the lumbar 5-6 intertransverse process fusion model in 51 New Zealand male rabbits. Bioactivity was assessed by soaking in simulated body fluid (SBF). Results In vitro study results showed sufficient hydroxycarbonate apatite layer formation occurred for P20B80 in1 day, for P10B90 in 3 days, and for P5B95 in 5 days after soaking in SBF. For the rabbit lumbar spine posterolateral fusion model, the autograft group recorded a 100% fusion rate with levels significantly higher than those of P20B80 (29.4%), P10B90 (0%), and P5B95 (14.3%), with high resorbing properties. Resorbing property differences among the three glass-ceramic groups were not significant. Histological results showed new bone formation confirming osteoconductivity in all three types of glass-ceramics. Radiomorphometric results also confirmed the resorbing properties of the three glass-ceramic types. Conclusions The high resorbing properties and osteoconductivity of porous glass-ceramics can be advantageous as no glass-ceramics remain in the body. However, their relatively fast rate of resorption in the body negatively affects their role as an osteoconductive scaffold as glass-ceramics are resorbed before bony fusion. PMID:24605194

  10. A CONNECTION BETWEEN PLASMA CONDITIONS NEAR BLACK HOLE EVENT HORIZONS AND OUTFLOW PROPERTIES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Koljonen, K. I. I.; Russell, D. M.; Bernardini, F.

    Accreting black holes are responsible for producing the fastest, most powerful outflows of matter in the universe. The formation process of powerful jets close to black holes is poorly understood, and the conditions leading to jet formation are currently hotly debated. In this paper, we report an unambiguous empirical correlation between the properties of the plasma close to the black hole and the particle acceleration properties within jets launched from the central regions of accreting stellar-mass and supermassive black holes. In these sources the emission of the plasma near the black hole is characterized by a power law at X-raymore » energies during times when the jets are produced. We find that the photon index of this power law, which gives information on the underlying particle distribution, correlates with the characteristic break frequency in the jet spectrum, which is dependent on magnetohydrodynamical processes in the outflow. The observed range in break frequencies varies by five orders of magnitude in sources that span nine orders of magnitude in black hole mass, revealing a similarity of jet properties over a large range of black hole masses powering these jets. This correlation demonstrates that the internal properties of the jet rely most critically on the conditions of the plasma close to the black hole, rather than other parameters such as the black hole mass or spin, and will provide a benchmark that should be reproduced by the jet formation models.« less

  11. Prooxidant property of green tea polyphenols epicatechin and epigallocatechin-3-gallate: implications for anticancer properties.

    PubMed

    Azam, S; Hadi, N; Khan, N U; Hadi, S M

    2004-10-01

    It is believed that anticancer and apoptosis inducing properties of green tea are mediated by it's polyphenolic constituents particularly catechins. A number of reports have shown that green tea polyphenol (-)-epigallocatechin-3-gallate (EGCG) is among the most effective chemopreventive and apoptosis-inducing agents present in the beverage. Plant polyphenols are naturally occurring antioxidants but they also exhibit prooxidant properties. Over the last several years we have shown that various classes of plant polyphenols including flavonoids, curcuminoids and tannins are capable of catalyzing oxidative DNA cleavage particularly in the presence of transition metal ions such as copper and iron. With a view to understand the chemical basis of various pharmacological properties of green tea, in this paper we have compared the prooxidant properties of green tea polyphenols--EGCG and EC ((-)-epicatechin). The rate of oxidative DNA degradation as well as hydroxyl radical and superoxide anion formation was found to be greater in the case of EGCG as compared with EC. It was also shown that copper mediated oxidation of EC and EGCG possibly leads to the formation of polymerized polyphenols. Further, it was indicated that copper oxidized catechins were more efficient prooxidants as compared with their unoxidized forms. These results correlate with the observation by others that EGCG is the most effective apoptosis inducing polyphenol present in green tea. They are also in support of our hypothesis that prooxidant action of plant polyphenols may be an important mechanism of their anticancer properties. A model for binding of Cu(II) to EC has been presented where the formation of quinone and a quinone methide has been proposed.

  12. AMR Studies of Star Formation: Simulations and Simulated Observations

    NASA Astrophysics Data System (ADS)

    Offner, Stella; McKee, C. F.; Klein, R. I.

    2009-01-01

    Molecular clouds are typically observed to be approximately virialized with gravitational and turbulent energy in balance, yielding a star formation rate of a few percent. The origin and characteristics of the observed supersonic turbulence are poorly understood, and without continued energy injection the turbulence is predicted to decay within a cloud dynamical time. Recent observations and analytic work have suggested a strong connection between the initial stellar mass function, the core mass function, and turbulence characteristics. The role of magnetic fields in determining core lifetimes, shapes, and kinematic properties remains hotly debated. Simulations are a formidable tool for studying the complex process of star formation and addressing these puzzles. I present my results modeling low-mass star formation using the ORION adaptive mesh refinement (AMR) code. I investigate the properties of forming cores and protostars in simulations in which the turbulence is driven to maintain virial balance and where it is allowed to decay. I will discuss simulated observations of cores in dust emission and in molecular tracers and compare to observations of local star-forming clouds. I will also present results from ORION cluster simulations including flux-limited diffusion radiative transfer and show that radiative feedback, even from low-mass stars, has a significant effect on core fragmentation, disk properties, and the IMF. Finally, I will discuss the new simulation frontier of AMR multigroup radiative transfer.

  13. Influence of single and binary doping of strontium and lithium on in vivo biological properties of bioactive glass scaffolds

    NASA Astrophysics Data System (ADS)

    Khan, Pintu Kumar; Mahato, Arnab; Kundu, Biswanath; Nandi, Samit K.; Mukherjee, Prasenjit; Datta, Someswar; Sarkar, Soumya; Mukherjee, Jayanta; Nath, Shalini; Balla, Vamsi K.; Mandal, Chitra

    2016-09-01

    Effects of strontium and lithium ion doping on the biological properties of bioactive glass (BAG) porous scaffolds have been checked in vitro and in vivo. BAG scaffolds were prepared by conventional glass melting route and subsequently, scaffolds were produced by evaporation of fugitive pore formers. After thorough physico-chemical and in vitro cell characterization, scaffolds were used for pre-clinical study. Soft and hard tissue formation in a rabbit femoral defect model after 2 and 4 months, were assessed using different tools. Histological observations showed excellent osseous tissue formation in Sr and Li + Sr scaffolds and moderate bone regeneration in Li scaffolds. Fluorochrome labeling studies showed wide regions of new bone formation in Sr and Li + Sr doped samples as compared to Li doped samples. SEM revealed abundant collagenous network and minimal or no interfacial gap between bone and implant in Sr and Li + Sr doped samples compared to Li doped samples. Micro CT of Li + Sr samples showed highest degree of peripheral cancellous tissue formation on periphery and cortical tissues inside implanted samples and vascularity among four compositions. Our findings suggest that addition of Sr and/or Li alters physico-chemical properties of BAG and promotes early stage in vivo osseointegration and bone remodeling that may offer new insight in bone tissue engineering.

  14. Influence of single and binary doping of strontium and lithium on in vivo biological properties of bioactive glass scaffolds

    PubMed Central

    Khan, Pintu Kumar; Mahato, Arnab; Kundu, Biswanath; Nandi, Samit K.; Mukherjee, Prasenjit; Datta, Someswar; Sarkar, Soumya; Mukherjee, Jayanta; Nath, Shalini; Balla, Vamsi K.; Mandal, Chitra

    2016-01-01

    Effects of strontium and lithium ion doping on the biological properties of bioactive glass (BAG) porous scaffolds have been checked in vitro and in vivo. BAG scaffolds were prepared by conventional glass melting route and subsequently, scaffolds were produced by evaporation of fugitive pore formers. After thorough physico-chemical and in vitro cell characterization, scaffolds were used for pre-clinical study. Soft and hard tissue formation in a rabbit femoral defect model after 2 and 4 months, were assessed using different tools. Histological observations showed excellent osseous tissue formation in Sr and Li + Sr scaffolds and moderate bone regeneration in Li scaffolds. Fluorochrome labeling studies showed wide regions of new bone formation in Sr and Li + Sr doped samples as compared to Li doped samples. SEM revealed abundant collagenous network and minimal or no interfacial gap between bone and implant in Sr and Li + Sr doped samples compared to Li doped samples. Micro CT of Li + Sr samples showed highest degree of peripheral cancellous tissue formation on periphery and cortical tissues inside implanted samples and vascularity among four compositions. Our findings suggest that addition of Sr and/or Li alters physico-chemical properties of BAG and promotes early stage in vivo osseointegration and bone remodeling that may offer new insight in bone tissue engineering. PMID:27604654

  15. The Arduous Journey to Black Hole Formation in Potential Gamma-Ray Burst Progenitors

    NASA Astrophysics Data System (ADS)

    Dessart, Luc; O'Connor, Evan; Ott, Christian D.

    2012-07-01

    We present a quantitative study on the properties at death of fast-rotating massive stars evolved at low-metallicity—objects that are proposed as likely progenitors of long-duration γ-ray bursts (LGRBs). We perform one-dimensional+rotation stellar-collapse simulations on the progenitor models of Woosley and Heger, and critically assess their potential for the formation of a black hole and a Keplerian disk (namely, a collapsar) or a proto-magnetar. We note that theoretical uncertainties in the treatment of magnetic fields and the approximate handling of rotation compromise the accuracy of stellar-evolution models. We find that only the fastest rotating progenitors achieve sufficient compactness for black hole formation while the bulk of models possess a core density structure typical of garden-variety core-collapse supernova (SN) progenitors evolved without rotation and at solar metallicity. Of the models that do have sufficient compactness for black hole formation, most of them also retain a large amount of angular momentum in the core, making them prone to a magneto-rotational explosion, therefore preferentially leaving behind a proto-magnetar. A large progenitor angular-momentum budget is often the sole criterion invoked in the community today to assess the suitability for producing a collapsar. This simplification ignores equally important considerations such as the core compactness, which conditions black hole formation, the core angular momentum, which may foster a magneto-rotational explosion preventing black hole formation, or the metallicity and the residual envelope mass which must be compatible with inferences from observed LGRB/SNe. Our study suggests that black hole formation is non-trivial, that there is room for accommodating both collapsars and proto-magnetars as LGRB progenitors, although proto-magnetars seem much more easily produced by current stellar-evolutionary models.

  16. THE ARDUOUS JOURNEY TO BLACK HOLE FORMATION IN POTENTIAL GAMMA-RAY BURST PROGENITORS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dessart, Luc; O'Connor, Evan; Ott, Christian D., E-mail: Luc.Dessart@oamp.fr, E-mail: evanoc@tapir.caltech.edu, E-mail: cott@tapir.caltech.edu

    2012-07-20

    We present a quantitative study on the properties at death of fast-rotating massive stars evolved at low-metallicity-objects that are proposed as likely progenitors of long-duration {gamma}-ray bursts (LGRBs). We perform one-dimensional+rotation stellar-collapse simulations on the progenitor models of Woosley and Heger, and critically assess their potential for the formation of a black hole and a Keplerian disk (namely, a collapsar) or a proto-magnetar. We note that theoretical uncertainties in the treatment of magnetic fields and the approximate handling of rotation compromise the accuracy of stellar-evolution models. We find that only the fastest rotating progenitors achieve sufficient compactness for black holemore » formation while the bulk of models possess a core density structure typical of garden-variety core-collapse supernova (SN) progenitors evolved without rotation and at solar metallicity. Of the models that do have sufficient compactness for black hole formation, most of them also retain a large amount of angular momentum in the core, making them prone to a magneto-rotational explosion, therefore preferentially leaving behind a proto-magnetar. A large progenitor angular-momentum budget is often the sole criterion invoked in the community today to assess the suitability for producing a collapsar. This simplification ignores equally important considerations such as the core compactness, which conditions black hole formation, the core angular momentum, which may foster a magneto-rotational explosion preventing black hole formation, or the metallicity and the residual envelope mass which must be compatible with inferences from observed LGRB/SNe. Our study suggests that black hole formation is non-trivial, that there is room for accommodating both collapsars and proto-magnetars as LGRB progenitors, although proto-magnetars seem much more easily produced by current stellar-evolutionary models.« less

  17. Anomalous Transport Properties of Dense QCD in a Magnetic Field

    NASA Astrophysics Data System (ADS)

    de la Incera, Vivian

    2017-06-01

    Despite recent advancements in the study and understanding of the phase diagram of strongly interacting matter, the region of high baryonic densities and low temperatures has remained difficult to reach in the lab. Things are expected to change with the planned HIC experiments at FAIR in Germany and NICA in Russia, which will open a window to the high-density-low-temperature segment of the QCD phase map, providing a unique opportunity to test the validity of model calculations that have predicted the formation of spatially inhomogeneous phases with broken chiral symmetry at intermediate-to-high densities. Such a density region is also especially relevant for the physics of neutron stars, as they have cores that can have several times the nuclear saturation density. On the other hand, strong magnetic fields, whose presence is fairly common in HIC and in neutron stars, can affect the properties of these exotic phases and lead to signatures potentially observable in these two settings. In this paper, I examine the anomalous transport properties produced by the spectral asymmetry of the lowest Landau level (LLL) in a QCD-inspired NJL model with a background magnetic field that exhibits chiral symmetry breaking at high density via the formation of a Dual Chiral Density Wave (DCDW) condensate. It turns out that in this model the electromagnetic interactions are described by the axion electrodynamics equations and there is a dissipationless Hall current.

  18. Improved Characterization and Modeling of Tight Oil Formations for CO 2 Enhanced Oil Recovery Potential and Storage Capacity Estimation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sorensen, James; Smith, Steven; Kurz, Bethany

    Tight oil formations such as those in the Bakken petroleum system are known to hold hundreds of billions of barrels of oil in place; however, the primary recovery factor for these plays is typically less than 10%. Tight oil formations, including the Bakken Formation, therefore, may be attractive candidates for enhanced oil recovery (EOR) using CO 2. Multiphase fluid behavior and flow in fluid-rich shales can vary substantially depending on the size of pore throats, and properties such as fluid viscosity and density are much different in nanoscale pores than in macroscale pores. Thus it is critical to understand themore » nature and distribution of nano-, micro-, and macroscale pores and fracture networks. To address these issues, the Energy & Environmental Research Center (EERC) has been conducting a research program entitled “Improved Characterization and Modeling of Tight Oil Formations for CO 2 Enhanced Oil Recovery Potential and Storage Capacity Estimation.” The objectives of the project are 1) the use of advanced characterization methods to better understand and quantify the petrophysical and geomechanical factors that control CO 2 and oil mobility within tight oil formation samples, 2) the determination of CO 2 permeation and oil extraction rates in tight reservoir rocks and organic-rich shales of the Bakken, and 3) the integration of the laboratory-based CO 2 permeation and oil extraction data and the characterization data into geologic models and dynamic simulations to develop predictions of CO 2 storage resource and EOR in the Bakken tight oil formation. A combination of standard and advanced petrophysical characterization techniques were applied to characterize samples of Bakken Formation tight reservoir rock and shales from multiple wells. Techniques included advanced computer tomography (CT) imaging, scanning electron microscopy (SEM) techniques, whole-core and micro x-ray CT imaging, field emission (FE) SEM, and focused ion beam (FIB) SEM. Selected samples were also analyzed for geomechanical properties. X-ray CT imaging yielded information on the occurrence of fractures, bedding planes, fossils, and bioturbation in core, as well as data on bulk density and photoelectric factor logs, which were used to interpret porosity, organic content, and mineralogy. FESEM was used for characterization of nano- and microscale features, including nanoscale pore visualization and micropore and pore throat mineralogy. FIBSEM yielded micro- to nanoscale visualization of fracture networks, porosity and pore-size distribution, connected versus isolated porosity, and distribution of organics. Results from the characterization activities provide insight on nanoscale fracture properties, pore throat mineralogy and connectivity, rock matrix characteristics, mineralogy, and organic content. Laboratory experiments demonstrated that CO 2 can permeate the tight matrix of Bakken shale and nonshale reservoir samples and mobilize oil from those samples. Geologic models were created at scales ranging from the core plug to the reservoir, and dynamic simulations were conducted. The data from the characterization and laboratory-based activities were integrated into modeling research activities to determine the fundamental mechanisms controlling fluid transport in the Bakken, which support EOR scheme design and estimation of CO 2 storage potential in tight oil formations. Simulation results suggest a CO 2 storage resource estimate range of 169 million to 1.5 billion tonnes for the Bakken in North Dakota, possibly resulting in 1.8 billion to 16 billion barrels of incremental oil.« less

  19. The M-type stars

    NASA Technical Reports Server (NTRS)

    Johnson, Hollis Ralph; Querci, Francois R.; Jordan, Stuart (Editor); Thomas, Richard (Editor); Goldberg, Leo; Pecker, Jean-Claude

    1987-01-01

    The papers in this volume cover the following topics: (1) basic properties and photometric variability of M and related stars; (2) spectroscopy and nonthermal processes; (3) circumstellar radio molecular lines; (4) circumstellar shells, the formation of grains, and radiation transfer; (5) mass loss; (6) circumstellar chemistry; (7) thermal atmospheric models; (8) quasi-thermal models; (9) observations on the atmospheres of M dwarfs; and (1) theoretical work on M dwarfs.

  20. Predicting spiral wave patterns from cell properties in a model of biological self-organization.

    PubMed

    Geberth, Daniel; Hütt, Marc-Thorsten

    2008-09-01

    In many biological systems, biological variability (i.e., systematic differences between the system components) can be expected to outrank statistical fluctuations in the shaping of self-organized patterns. In principle, the distribution of single-element properties should thus allow predicting features of such patterns. For a mathematical model of a paradigmatic and well-studied pattern formation process, spiral waves of cAMP signaling in colonies of the slime mold Dictyostelium discoideum, we explore this possibility and observe a pronounced anticorrelation between spiral waves and cell properties (namely, the firing rate) and particularly a clustering of spiral wave tips in regions devoid of spontaneously firing (pacemaker) cells. Furthermore, we observe local inhomogeneities in the distribution of spiral chiralities, again induced by the pacemaker distribution. We show that these findings can be explained by a simple geometrical model of spiral wave generation.

  1. Green's Functions from Real-Time Bold-Line Monte Carlo Calculations: Spectral Properties of the Nonequilibrium Anderson Impurity Model

    NASA Astrophysics Data System (ADS)

    Cohen, Guy; Gull, Emanuel; Reichman, David R.; Millis, Andrew J.

    2014-04-01

    The nonequilibrium spectral properties of the Anderson impurity model with a chemical potential bias are investigated within a numerically exact real-time quantum Monte Carlo formalism. The two-time correlation function is computed in a form suitable for nonequilibrium dynamical mean field calculations. Additionally, the evolution of the model's spectral properties are simulated in an alternative representation, defined by a hypothetical but experimentally realizable weakly coupled auxiliary lead. The voltage splitting of the Kondo peak is confirmed and the dynamics of its formation after a coupling or gate quench are studied. This representation is shown to contain additional information about the dot's population dynamics. Further, we show that the voltage-dependent differential conductance gives a reasonable qualitative estimate of the equilibrium spectral function, but significant qualitative differences are found including incorrect trends and spurious temperature dependent effects.

  2. Predicting spiral wave patterns from cell properties in a model of biological self-organization

    NASA Astrophysics Data System (ADS)

    Geberth, Daniel; Hütt, Marc-Thorsten

    2008-09-01

    In many biological systems, biological variability (i.e., systematic differences between the system components) can be expected to outrank statistical fluctuations in the shaping of self-organized patterns. In principle, the distribution of single-element properties should thus allow predicting features of such patterns. For a mathematical model of a paradigmatic and well-studied pattern formation process, spiral waves of cAMP signaling in colonies of the slime mold Dictyostelium discoideum, we explore this possibility and observe a pronounced anticorrelation between spiral waves and cell properties (namely, the firing rate) and particularly a clustering of spiral wave tips in regions devoid of spontaneously firing (pacemaker) cells. Furthermore, we observe local inhomogeneities in the distribution of spiral chiralities, again induced by the pacemaker distribution. We show that these findings can be explained by a simple geometrical model of spiral wave generation.

  3. Effects of Al-Impurity Type on Formation Energy, Crystal Structure, Electronic Structure, and Optical Properties of ZnO by Using Density Functional Theory and the Hubbard-U Method.

    PubMed

    Wu, Hsuan-Chung; Chen, Hsing-Hao; Zhu, Yu-Ren

    2016-08-01

    We systematically investigated the effects of Al-impurity type on the formation energy, crystal structure, charge density, electronic structure, and optical properties of ZnO by using density functional theory and the Hubbard-U method. Al-related defects, such as those caused by the substitution of Zn and O atoms by Al atoms (Al s(Zn) and Al s(O) , respectively) and the presence of an interstitial Al atom at the center of a tetrahedron (Al i(tet) ) or an octahedron (Al i(oct) ), and various Al concentrations were evaluated. The calculated formation energy follows the order E f (Al s(Zn) ) < E f (Al i(tet) ) < E f (Al i(oct) ) < E f (Al s(O) ). Electronic structure analysis showed that the Al s(Zn) , Al s(O) , Al i(tet) , and Al i(oct) models follow n -type conduction, and the optical band gaps are higher than that of pure ZnO. The calculated carrier concentrations of the Al s(O) and Al i(tet) /Al i(oct) models are higher than that of the Al s(Zn) model. However, according to the curvature of the band structure, the occurrence of interstitial Al atoms or the substitution of O atoms by Al atoms results in a high effective mass, possibly reducing the carrier mobility. The average transmittance levels in the visible light and ultraviolet (UV) regions of the Al s(Zn) model are higher than those of pure ZnO. However, the presence of an interstitial Al atom within the ZnO crystal reduces transmittance in the visible light region; Al s(O) substantially reduces the transmittance in the visible light and UV regions. In addition, the properties of ZnO doped with various Al s(Zn) concentrations were analyzed.

  4. Analysis of formation pressure test results in the Mount Elbert methane hydrate reservoir through numerical simulation

    USGS Publications Warehouse

    Kurihara, M.; Sato, A.; Funatsu, K.; Ouchi, H.; Masuda, Y.; Narita, H.; Collett, T.S.

    2011-01-01

    Targeting the methane hydrate (MH) bearing units C and D at the Mount Elbert prospect on the Alaska North Slope, four MDT (Modular Dynamic Formation Tester) tests were conducted in February 2007. The C2 MDT test was selected for history matching simulation in the MH Simulator Code Comparison Study. Through history matching simulation, the physical and chemical properties of the unit C were adjusted, which suggested the most likely reservoir properties of this unit. Based on these properties thus tuned, the numerical models replicating "Mount Elbert C2 zone like reservoir" "PBU L-Pad like reservoir" and "PBU L-Pad down dip like reservoir" were constructed. The long term production performances of wells in these reservoirs were then forecasted assuming the MH dissociation and production by the methods of depressurization, combination of depressurization and wellbore heating, and hot water huff and puff. The predicted cumulative gas production ranges from 2.16??106m3/well to 8.22??108m3/well depending mainly on the initial temperature of the reservoir and on the production method.This paper describes the details of modeling and history matching simulation. This paper also presents the results of the examinations on the effects of reservoir properties on MH dissociation and production performances under the application of the depressurization and thermal methods. ?? 2010 Elsevier Ltd.

  5. Pore Scale Dynamics of Microemulsion Formation.

    PubMed

    Unsal, Evren; Broens, Marc; Armstrong, Ryan T

    2016-07-19

    Experiments in various porous media have shown that multiple parameters come into play when an oleic phase is displaced by an aqueous solution of surfactant. In general, the displacement efficiency is improved when the fluids become quasi-miscible. Understanding the phase behavior oil/water/surfactant systems is important because microemulsion has the ability to generate ultralow interfacial tension (<10(-2) mN m(-1)) that is required for miscibility to occur. Many studies focus on microemulsion formation and the resulting properties under equilibrium conditions. However, the majority of applications where microemulsion is present also involve flow, which has received relatively less attention. It is commonly assumed that the characteristics of an oil/water/surfactant system under flowing conditions are identical to the one under equilibrium conditions. Here, we show that this is not necessarily the case. We studied the equilibrium phase behavior of a model system consisting of n-decane and an aqueous solution of olefin sulfonate surfactant, which has practical applications for enhanced oil recovery. The salt content of the aqueous solution was varied to provide a range of different microemulsion compositions and oil-water interfacial tensions. We then performed microfluidic flow experiments to study the dynamic in situ formation of microemulsion by coinjecting bulk fluids of n-decane and surfactant solution into a T-junction capillary geometry. A solvatochromatic fluorescent dye was used to obtain spatially resolved compositional information. In this way, we visualized the microemulsion formation and the flow of it along with the excess phases. A complex interaction between the flow patterns and the microemulsion properties was observed. The formation of microemulsion influenced the flow regimes, and the flow regimes affected the characteristics of the microemulsion formation. In particular, at low flow rates, slug flow was observed, which had profound consequences on the pore scale mixing behavior and resulting microemulsion properties.

  6. Recent advances in understanding secondary organic aerosol: Implications for global climate forcing: Advances in Secondary Organic Aerosol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shrivastava, Manish; Cappa, Christopher D.; Fan, Jiwen

    Anthropogenic emissions and land-use changes have modified atmospheric aerosol concentrations and size distributions over time. Understanding pre-industrial conditions and changes in organic aerosol due to anthropogenic activities is important because these features 1) influence estimates of aerosol radiative forcing and 2) can confound estimates of the historical response of climate to increases in greenhouse gases (e.g. the ‘climate sensitivity’). Secondary organic aerosol (SOA), formed in the atmosphere by oxidation of organic gases, represents a major fraction of global submicron-sized atmospheric organic aerosol. Over the past decade, significant advances in understanding SOA properties and formation mechanisms have occurred through a combinationmore » of laboratory and field measurements, yet current climate models typically do not comprehensively include all important SOA-relevant processes. Therefore, major gaps exist at present between current measurement-based knowledge on the one hand and model implementation of organic aerosols on the other. The critical review herein summarizes some of the important developments in understanding SOA formation that could potentially have large impacts on our understanding of aerosol radiative forcing and climate. We highlight the importance of some recently discovered processes and properties that influence the growth of SOA particles to sizes relevant for clouds and radiative forcing, including: formation of extremely low-volatility organics in the gas-phase; isoprene epoxydiols (IEPOX) multi-phase chemistry; particle-phase oligomerization; and physical properties such as viscosity. In addition, this review also highlights some of the important processes that involve interactions between natural biogenic emissions and anthropogenic emissions, such as the role of sulfate and oxides of nitrogen (NOx) on SOA formation from biogenic volatile organic compounds. Studies that relate the observed evolution of organic aerosol mass and number with knowledge of particle properties such as volatility and viscosity are crucial for improving understanding of non-linear SOA-related processes. For example, useful insights can be attained by combining bottom-up information related to the molecular speciation of gas- and particle-phase precursors with top-down insights on size evolution dynamics of SOA. Continuing efforts are also needed to rank the most influential processes affecting SOA lifecycle, so that these processes can be accurately represented in atmospheric chemistry-climate models.« less

  7. SOA formation by biogenic and carbonyl compounds: data evaluation and application.

    PubMed

    Ervens, Barbara; Kreidenweis, Sonia M

    2007-06-01

    The organic fraction of atmospheric aerosols affects the physical and chemical properties of the particles and their role in the climate system. Current models greatly underpredict secondary organic aerosol (SOA) mass. Based on a compilation of literature studies that address SOA formation, we discuss different parameters that affect the SOA formation efficiency of biogenic compounds (alpha-pinene, isoprene) and aliphatic aldehydes (glyoxal, hexanal, octanal, hexadienal). Applying a simple model, we find that the estimated SOA mass after one week of aerosol processing under typical atmospheric conditions is increased by a few microg m(-3) (low NO(x) conditions). Acid-catalyzed reactions can create > 50% more SOA mass than processes under neutral conditions; however, other parameters such as the concentration ratio of organics/NO(x), relative humidity, and absorbing mass are more significant. The assumption of irreversible SOA formation not limited by equilibrium in the particle phase or by depletion of the precursor leads to unrealistically high SOA masses for some of the assumptions we made (surface vs volume controlled processes).

  8. Giant planets and their satellites: What are the relationships between their properties and how they formed

    NASA Technical Reports Server (NTRS)

    Stevenson, David J.

    1991-01-01

    The following subject areas are covered: (1) the mass distribution; (2) interior models; (3) atmospheric compositions and their implications; (4) heat flows and their implications; (5) satellite systems; (6) temperatures in the solar nebula; and (7) giant planet formation.

  9. Stereopsis and 3D surface perception by spiking neurons in laminar cortical circuits: a method for converting neural rate models into spiking models.

    PubMed

    Cao, Yongqiang; Grossberg, Stephen

    2012-02-01

    A laminar cortical model of stereopsis and 3D surface perception is developed and simulated. The model shows how spiking neurons that interact in hierarchically organized laminar circuits of the visual cortex can generate analog properties of 3D visual percepts. The model describes how monocular and binocular oriented filtering interact with later stages of 3D boundary formation and surface filling-in in the LGN and cortical areas V1, V2, and V4. It proposes how interactions between layers 4, 3B, and 2/3 in V1 and V2 contribute to stereopsis, and how binocular and monocular information combine to form 3D boundary and surface representations. The model suggests how surface-to-boundary feedback from V2 thin stripes to pale stripes helps to explain how computationally complementary boundary and surface formation properties lead to a single consistent percept, eliminate redundant 3D boundaries, and trigger figure-ground perception. The model also shows how false binocular boundary matches may be eliminated by Gestalt grouping properties. In particular, the disparity filter, which helps to solve the correspondence problem by eliminating false matches, is realized using inhibitory interneurons as part of the perceptual grouping process by horizontal connections in layer 2/3 of cortical area V2. The 3D sLAMINART model simulates 3D surface percepts that are consciously seen in 18 psychophysical experiments. These percepts include contrast variations of dichoptic masking and the correspondence problem, the effect of interocular contrast differences on stereoacuity, Panum's limiting case, the Venetian blind illusion, stereopsis with polarity-reversed stereograms, da Vinci stereopsis, and perceptual closure. The model hereby illustrates a general method of unlumping rate-based models that use the membrane equations of neurophysiology into models that use spiking neurons, and which may be embodied in VLSI chips that use spiking neurons to minimize heat production. Copyright © 2011 Elsevier Ltd. All rights reserved.

  10. Constitutive Soil Properties for Cuddeback Lake, California and Carson Sink, Nevada

    NASA Technical Reports Server (NTRS)

    Thomas, Michael A.; Chitty, Daniel E.; Gildea, Martin L.; T'Kindt, Casey M.

    2008-01-01

    Accurate soil models are required for numerical simulations of land landings for the Orion Crew Exploration Vehicle. This report provides constitutive material modeling properties for four soil models from two dry lakebeds in the western United States. The four soil models are based on mechanical and compressive behavior observed during geotechnical laboratory testing of remolded soil samples from the lakebeds. The test specimens were reconstituted to measured in situ density and moisture content. Tests included: triaxial compression, hydrostatic compression, and uniaxial strain. A fit to the triaxial test results defines the strength envelope. Hydrostatic and uniaxial tests define the compressibility. The constitutive properties are presented in the format of LS-DYNA Material Model 5: Soil and Foam. However, the laboratory test data provided can be used to construct other material models. The four soil models are intended to be specific only to the two lakebeds discussed in the report. The Cuddeback A and B models represent the softest and hardest soils at Cuddeback Lake. The Carson Sink Wet and Dry models represent different seasonal conditions. It is possible to approximate other clay soils with these models, but the results would be unverified without geotechnical tests to confirm similar soil behavior.

  11. Halo Histories vs. Galaxy Properties at z=0, III: The Properties of Star-Forming Galaxies

    NASA Astrophysics Data System (ADS)

    Tinker, Jeremy L.; Hahn, ChangHoon; Mao, Yao-Yuan; Wetzel, Andrew R.

    2018-05-01

    We measure how the properties of star-forming central galaxies correlate with large-scale environment, δ, measured on 10 h-1Mpc scales. We use galaxy group catalogs to isolate a robust sample of central galaxies with high purity and completeness. The galaxy properties we investigate are star formation rate (SFR), exponential disk scale length Rexp, and Sersic index of the galaxy light profile, nS. We find that, at all stellar masses, there is an inverse correlation between SFR and δ, meaning that above-average star forming centrals live in underdense regions. For nS and Rexp, there is no correlation with δ at M_\\ast ≲ 10^{10.5} M⊙, but at higher masses there are positive correlations; a weak correlation with Rexp and a strong correlation with nS. These data are evidence of assembly bias within the star-forming population. The results for SFR are consistent with a model in which SFR correlates with present-day halo accretion rate, \\dot{M}_h. In this model, galaxies are assigned to halos using the abundance matching ansatz, which maps galaxy stellar mass onto halo mass. At fixed halo mass, SFR is then assigned to galaxies using the same approach, but \\dot{M}_h is used to map onto SFR. The best-fit model requires some scatter in the \\dot{M}_h-SFR relation. The Rexp and nS measurements are consistent with a model in which both of these quantities are correlated with the spin parameter of the halo, λ. Halo spin does not correlate with δ at low halo masses, but for higher mass halos, high-spin halos live in higher density environments at fixed Mh. Put together with the earlier installments of this series, these data demonstrate that quenching processes have limited correlation with halo formation history, but the growth of active galaxies, as well as other detailed galaxies properties, are influenced by the details of halo assembly.

  12. Nanoscale effects of silica particle supports on the formation and properties of TiO2 nanocatalysts

    NASA Astrophysics Data System (ADS)

    Li, Aize; Jin, Yuhui; Muggli, Darrin; Pierce, David T.; Aranwela, Hemantha; Marasinghe, Gaya K.; Knutson, Theodore; Brockman, Greg; Zhao, Julia Xiaojun

    2013-06-01

    Small TiO2 crystals in the anatase phase are in high demand as photocatalysts. Stable TiO2 crystals in the anatase phase were obtained using a silica nanoparticle as a support. The focus of this study was to investigate the nanoscale effect of the silica support on the formation and properties of small anatase crystals. The experiments were carried out using powder X-ray diffraction, differential thermal analysis, transmission electron microscopy, and energy dispersion spectroscopy. The results showed that the size of the silica support played a crucial role in crystallization of TiO2 and regulation of TiO2 properties, including phase transition, crystal size, thermodynamic property and catalytic activity. A nanoscale curvature model of the spherical silica support was proposed to explain these size effects. Finally, the developed TiO2 catalysts were applied to the oxidation of methanol using a high-throughput photochemical reactor. The size effect of the silica supports on the TiO2 catalytic efficiency was demonstrated using this system.

  13. High resolution multi-facies realizations of sedimentary reservoir and aquifer analogs

    PubMed Central

    Bayer, Peter; Comunian, Alessandro; Höyng, Dominik; Mariethoz, Gregoire

    2015-01-01

    Geological structures are by nature inaccessible to direct observation. This can cause difficulties in applications where a spatially explicit representation of such structures is required, in particular when modelling fluid migration in geological formations. An increasing trend in recent years has been to use analogs to palliate this lack of knowledge, i.e., exploiting the spatial information from sites where the geology is accessible (outcrops, quarry sites) and transferring the observed properties to a study site deemed geologically similar. While this approach is appealing, it is difficult to put in place because of the lack of access to well-documented analog data. In this paper we present comprehensive analog data sets which characterize sedimentary structures from important groundwater hosting formations in Germany and Brazil. Multiple 2-D outcrop faces are described in terms of hydraulic, thermal and chemical properties and interpolated in 3-D using stochastic techniques. These unique data sets can be used by the wider community to implement analog approaches for characterizing reservoir and aquifer formations. PMID:26175910

  14. Monitoring the apple polyphenol oxidase-modulated adduct formation of phenolic and amino compounds.

    PubMed

    Reinkensmeier, Annika; Steinbrenner, Katrin; Homann, Thomas; Bußler, Sara; Rohn, Sascha; Rawel, Hashadrai M

    2016-03-01

    Minimally processed fruit products such as smoothies are increasingly coming into demand. However, they are often combined with dairy ingredients. In this combination, phenolic compounds, polyphenoloxidases, and amino compounds could interact. In this work, a model approach is presented where apple serves as a source for a high polyphenoloxidase activity for modulating the reactions. The polyphenoloxidase activity ranged from 128 to 333nakt/mL in different apple varieties. From these, 'Braeburn' was found to provide the highest enzymatic activity. The formation and stability of resulting chromogenic conjugates was investigated. The results show that such adducts are not stable and possible degradation mechanisms leading to follow-up products formed are proposed. Finally, apple extracts were used to modify proteins and their functional properties characterized. There were retaining antioxidant properties inherent to phenolic compounds after adduct formation. Consequently, such interactions may also be utilized to improve the textural quality of food products. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Biocatalytic Synthesis of Epoxy Resins from Fatty Acids as a Versatile Route for the Formation of Polymer Thermosets with Tunable Properties.

    PubMed

    Torron, Susana; Semlitsch, Stefan; Martinelle, Mats; Johansson, Mats

    2016-12-12

    The work herein presented describes the synthesis and polymerization of series of bio-based epoxy resins prepared through lipase catalyzed transesterification. The epoxy-functional polyester resins with various architectures (linear, tri-branched, and tetra-branched) were synthesized through condensation of fatty acids derived from epoxidized soybean oil and linseed oil with three different hydroxyl cores under bulk conditions. The selectivity of the lipases toward esterification/transesterification reactions allowed the formation of macromers with up to 12 epoxides in the backbone. The high degree of functionality of the resins resulted in polymer thermosets with T g values ranging from -25 to over 100 °C prepared through cationic polymerization. The determining parameters of the synthesis and the mechanism for the formation of the species were determined through kinetic studies by 1 H NMR, SEC, and molecular modeling studies. The correlation between macromer structure and thermoset properties was studied through real-time FTIR measurements, DSC, and DMA.

  16. A thermo-mechanical correlation with driving forces for hcp martensite and twin formations in the Fe-Mn-C system exhibiting multicomposition sets.

    PubMed

    Nakano, Jinichiro

    2013-02-01

    The thermodynamic properties of the Fe-Mn-C system were investigated by using an analytical model constructed by a CALPHAD approach. The stacking fault energy (SFE) of the fcc structure with respect to the hcp phase was always constant at T 0 , independent of the composition and temperature when other related parameters were assumed to be constant. Experimental limits for the thermal hcp formation and the mechanical (deformation-induced) hcp formation were separated by the SFE at T 0 . The driving force for the fcc to hcp transition, defined as a dimensionless value -d G m /( RT ), was determined in the presence of Fe-rich and Mn-rich composition sets in each phase. Carbon tended to partition to the Mn-rich phase rather than to the Fe-rich phase for the compositions studied. The results obtained revealed a thermo-mechanical correlation with empirical yield strength, maximum true stress and maximum true strain. The proportionality between thermodynamics and mechanical properties is discussed.

  17. The Role of Feedback in Galaxy Formation

    NASA Astrophysics Data System (ADS)

    Martin, C. L.

    2004-12-01

    Our understanding of galaxy formation is founded on the well-understood principle of gravitational amplification of structure but lacks the astrophysical knowledge needed to predict the properties of galaxies and small scale properties of the intergalactic medium. While gas cooling and galaxy merging are now modeled with reasonable accuracy, the complex process of gas reheating by massive stars and active nuclei is described by simple empirical "feedback" recipes. Chandra and XMM-Newton observations now provide direct imaging of this hot gas in nearby starburst galaxies; and outflow speeds -- of cooler gas entrained in hot galactic winds -- have been measured over a large range of galaxy masses and formation epochs. My talk will describe how these empirical studies help us understand the dynamics of galactic winds and discuss the consequences for the shape of the galaxy luminosity function and the enrichment of the intergalactic medium with metals. Funding from NASA, the Alfred P. Sloan Foundation, and the David and Lucile Packard Foundation made much of this work possible.

  18. Thermophysics Characterization of Kerosene Combustion

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See

    2000-01-01

    A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation, and a detailed wet-CO mechanism. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustor efficiency of an uni-element, tri-propellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

  19. Systematic coarse-grained modeling of complexation between small interfering RNA and polycations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wei, Zonghui; Luijten, Erik, E-mail: luijten@northwestern.edu; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208

    All-atom molecular dynamics simulations can provide insight into the properties of polymeric gene-delivery carriers by elucidating their interactions and detailed binding patterns with nucleic acids. However, to explore nanoparticle formation through complexation of these polymers and nucleic acids and study their behavior at experimentally relevant time and length scales, a reliable coarse-grained model is needed. Here, we systematically develop such a model for the complexation of small interfering RNA (siRNA) and grafted polyethyleneimine copolymers, a promising candidate for siRNA delivery. We compare the predictions of this model with all-atom simulations and demonstrate that it is capable of reproducing detailed bindingmore » patterns, charge characteristics, and water release kinetics. Since the coarse-grained model accelerates the simulations by one to two orders of magnitude, it will make it possible to quantitatively investigate nanoparticle formation involving multiple siRNA molecules and cationic copolymers.« less

  20. Thermophysics Characterization of Kerosene Combustion

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See

    2001-01-01

    A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation and a detailed wet-CO mechanism to complete the combustion process. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustion efficiency of an unielement, tripropellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

  1. A volatile rich Earth's core?

    NASA Astrophysics Data System (ADS)

    Morard, G.; Antonangeli, D.; Andrault, D.; Nakajima, Y.

    2017-12-01

    The composition of the Earth's core is still an open question. Although mostly composed of iron, it contains impurities that lower its density and melting point with respect to pure Fe. Knowledge of the nature and abundance of light elements (O, S, Si, C or H) in the core has major implications for establishing the bulk composition of the Earth and for building the model of Earth's differentiation. Geochemical models of the Earth's formation point out that its building blocks were depleted in volatile elements compared to the chondritic abundance, therefore light elements such as S, H or C cannot be the major elements alloyed with iron in the Earth's core. However, such models should be compatible with the comparison of seismic properties of the Earth's core and physical properties of iron alloys under extreme conditions, such as sound velocity or density of solid and liquid. The present work will discuss the recent progress for compositional model issued from studies of phase diagrams and elastic properties of iron alloys under core conditions and highlight the compatibility of volatile elements with observed properties of the Earth's core, in potential contradiction with models derived from metal-silicate partitioning experiments.

  2. What drives the formation of massive stars and clusters?

    NASA Astrophysics Data System (ADS)

    Ochsendorf, Bram; Meixner, Margaret; Roman-Duval, Julia; Evans, Neal J., II; Rahman, Mubdi; Zinnecker, Hans; Nayak, Omnarayani; Bally, John; Jones, Olivia C.; Indebetouw, Remy

    2018-01-01

    Galaxy-wide surveys allow to study star formation in unprecedented ways. In this talk, I will discuss our analysis of the Large Magellanic Cloud (LMC) and the Milky Way, and illustrate how studying both the large and small scale structure of galaxies are critical in addressing the question: what drives the formation of massive stars and clusters?I will show that ‘turbulence-regulated’ star formation models do not reproduce massive star formation properties of GMCs in the LMC and Milky Way: this suggests that theory currently does not capture the full complexity of star formation on small scales. I will also report on the discovery of a massive star forming complex in the LMC, which in many ways manifests itself as an embedded twin of 30 Doradus: this may shed light on the formation of R136 and 'Super Star Clusters' in general. Finally, I will highlight what we can expect in the next years in the field of star formation with large-scale sky surveys, ALMA, and our JWST-GTO program.

  3. Microkinetic modeling of the autoxidative curing of an alkyd and oil-based paint model system

    NASA Astrophysics Data System (ADS)

    Oakley, Lindsay H.; Casadio, Francesca; Shull, Kenneth R.; Broadbelt, Linda J.

    2015-11-01

    Elucidating the curing and aging mechanisms of alkyd and other oil-based paints is valuable for the fields of conservation and bio-based coatings. Recent research has demonstrated the limitations of artificial aging in predicting the actual properties of paints that are hundreds of years old. Kinetic modeling offers pathways to develop a realistic and dynamic description of the composition of these oil-based paint coatings and facilitates the exploration of the effects of various environmental conditions on their long-term chemical stability. This work presents the construction of a kinetic Monte Carlo framework from elementary steps for the cobalt-catalyzed autoxidative curing of an ethyl linoleate model system up to the formation of single cross-links. Kinetic correlations for reaction families of similar chemistry are employed to reduce the number of parameters required to calculate rate constants in Arrhenius form. The model, developed from mechanisms proposed in the literature, shows good agreement with experiment for the formation of primary products in the early stages of curing. The model has also revealed that the mechanisms proposed in the literature for the formation of secondary products, such as volatile aldehydes, are still not well established, and alternative routes are under evaluation.

  4. Absorption and scattering properties of the Martian dust in the solar wavelengths.

    PubMed

    Ockert-Bell, M E; Bell JF 3rd; Pollack, J B; McKay, C P; Forget, F

    1997-04-25

    A new wavelength-dependent model of the single-scattering properties of the Martian dust is presented. The model encompasses the solar wavelengths (0.3 to 4.3 micrometers at 0.02 micrometer resolution) and does not assume a particular mineralogical composition of the particles. We use the particle size distribution, shape, and single-scattering properties at Viking Lander wavelengths presented by Pollack et al. [1995]. We expand the wavelength range of the aerosol model by assuming that the atmospheric dust complex index of refraction is the same as that of dust particles in the bright surface geologic units. The new wavelength-dependent model is compared to observations taken by the Viking Orbiter Infrared Thermal Mapper solar channel instrument during two dust storms. The model accurately matches afternoon observations and some morning observations. Some of the early morning observations are much brighter than the model results. The increased reflectance can be ascribed to the formation of a water ice shell around the dust particles, thus creating the water ice clouds which Colburn et al. [1989], among others, have predicted.

  5. Cations Modulate Actin Bundle Mechanics, Assembly Dynamics, and Structure.

    PubMed

    Castaneda, Nicholas; Zheng, Tianyu; Rivera-Jacquez, Hector J; Lee, Hyun-Ju; Hyun, Jaekyung; Balaeff, Alexander; Huo, Qun; Kang, Hyeran

    2018-04-12

    Actin bundles are key factors in the mechanical support and dynamic reorganization of the cytoskeleton. High concentrations of multivalent counterions promote bundle formation through electrostatic attraction between actin filaments that are negatively charged polyelectrolytes. In this study, we evaluate how physiologically relevant divalent cations affect the mechanical, dynamic, and structural properties of actin bundles. Using a combination of total internal reflection fluorescence microscopy, transmission electron microscopy, and dynamic light scattering, we demonstrate that divalent cations modulate bundle stiffness, length distribution, and lateral growth. Molecular dynamics simulations of an all-atom model of the actin bundle reveal specific actin residues coordinate cation-binding sites that promote the bundle formation. Our work suggests that specific cation interactions may play a fundamental role in the assembly, structure, and mechanical properties of actin bundles.

  6. Switchable diode effect in oxygen vacancy-modulated SrTiO3 single crystal

    NASA Astrophysics Data System (ADS)

    Pan, Xinqiang; Shuai, Yao; Wu, Chuangui; Luo, Wenbo; Sun, Xiangyu; Zeng, Huizhong; Bai, Xiaoyuan; Gong, Chaoguan; Jian, Ke; Zhang, Lu; Guo, Hongliang; Tian, Benlang; Zhang, Wanli

    2017-09-01

    SrTiO3 (STO) single crystal wafer was annealed in vacuum, and co-planar metal-insulator-metal structure of Pt/Ti/STO/Ti/Pt were formed by sputtering Pt/Ti electrodes onto the surface of STO after annealing. The forming-free resistive switching behavior with self-compliance property was observed in the sample. The sample showed switchable diode effect, which is explained by a simple model that redistribution of oxygen vacancies (OVs) under the external electric field results in the formation of n-n+ junction or n+-n junction (n donated n-type semiconductor; n+ donated heavily doped n-type semiconductor). The self-compliance property is also interpreted by the formation of n-n+/n+-n junction caused by the migration of the OVs under the electric field.

  7. Mathematical neuroscience: from neurons to circuits to systems.

    PubMed

    Gutkin, Boris; Pinto, David; Ermentrout, Bard

    2003-01-01

    Applications of mathematics and computational techniques to our understanding of neuronal systems are provided. Reduction of membrane models to simplified canonical models demonstrates how neuronal spike-time statistics follow from simple properties of neurons. Averaging over space allows one to derive a simple model for the whisker barrel circuit and use this to explain and suggest several experiments. Spatio-temporal pattern formation methods are applied to explain the patterns seen in the early stages of drug-induced visual hallucinations.

  8. Recovering the Physical Properties of Molecular Gas in Galaxies from CO SLED Modeling

    NASA Astrophysics Data System (ADS)

    Kamenetzky, J.; Privon, G. C.; Narayanan, D.

    2018-05-01

    Modeling of the spectral line energy distribution (SLED) of the CO molecule can reveal the physical conditions (temperature and density) of molecular gas in Galactic clouds and other galaxies. Recently, the Herschel Space Observatory and ALMA have offered, for the first time, a comprehensive view of the rotational J = 4‑3 through J = 13‑12 lines, which arise from a complex, diverse range of physical conditions that must be simplified to one, two, or three components when modeled. Here we investigate the recoverability of physical conditions from SLEDs produced by galaxy evolution simulations containing a large dynamical range in physical properties. These simulated SLEDs were generally fit well by one component of gas whose properties largely resemble or slightly underestimate the luminosity-weighted properties of the simulations when clumping due to nonthermal velocity dispersion is taken into account. If only modeling the first three rotational lines, the median values of the marginalized parameter distributions better represent the luminosity-weighted properties of the simulations, but the uncertainties in the fitted parameters are nearly an order of magnitude, compared to approximately 0.2 dex in the “best-case” scenario of a fully sampled SLED through J = 10‑9. This study demonstrates that while common CO SLED modeling techniques cannot reveal the underlying complexities of the molecular gas, they can distinguish bulk luminosity-weighted properties that vary with star formation surface densities and galaxy evolution, if a sufficient number of lines are detected and modeled.

  9. Mean-field approach to evolving spatial networks, with an application to osteocyte network formation

    NASA Astrophysics Data System (ADS)

    Taylor-King, Jake P.; Basanta, David; Chapman, S. Jonathan; Porter, Mason A.

    2017-07-01

    We consider evolving networks in which each node can have various associated properties (a state) in addition to those that arise from network structure. For example, each node can have a spatial location and a velocity, or it can have some more abstract internal property that describes something like a social trait. Edges between nodes are created and destroyed, and new nodes enter the system. We introduce a "local state degree distribution" (LSDD) as the degree distribution at a particular point in state space. We then make a mean-field assumption and thereby derive an integro-partial differential equation that is satisfied by the LSDD. We perform numerical experiments and find good agreement between solutions of the integro-differential equation and the LSDD from stochastic simulations of the full model. To illustrate our theory, we apply it to a simple model for osteocyte network formation within bones, with a view to understanding changes that may take place during cancer. Our results suggest that increased rates of differentiation lead to higher densities of osteocytes, but with a smaller number of dendrites. To help provide biological context, we also include an introduction to osteocytes, the formation of osteocyte networks, and the role of osteocytes in bone metastasis.

  10. Characterizing Protoplanetary Disks in a Young Binary in Orion

    NASA Astrophysics Data System (ADS)

    Powell, Jonas; Hughes, A. Meredith; Mann, Rita; Flaherty, Kevin; Di Francesco, James; Williams, Jonathan

    2018-01-01

    Planetary systems form in circumstellar disks of gas and dust surrounding young stars. One open question in the study of planet formation involves understanding how different environments affect the properties of the disks and planets they generate. Understanding the properties of disks in high-mass star forming regions (SFRs) is critical since most stars - probably including our Sun - form in those regions. By comparing the disks in high-mass SFRs to those in better-studied low-mass SFRs we can learn about the role environment plays in planet formation. Here we present 0.5" resolution observations of the young two-disk binary system V2434 Ori in the Orion Nebula from the Atacama Large Millimeter/submillimeter Array (ALMA) in molecular line tracers of CO(3-2), HCN(4-3), HCO+(4-3) and CS(7-6). We model each disk’s mass, radius, temperature structure, and molecular abundances, by creating synthetic images using an LTE ray-tracing code and comparing simulated observations with the ALMA data in the visibility domain. We then compare our results to a previous study of molecular line emission from a single Orion proplyd, modeled using similar methods, and to previously characterized disks in low-mass SFRs to investigate the role of environment in disk chemistry and planetary system formation.

  11. Paired and interacting galaxies: Conference summary

    NASA Technical Reports Server (NTRS)

    Norman, Colin A.

    1990-01-01

    The author gives a summary of the conference proceedings. The conference began with the presentation of the basic data sets on pairs, groups, and interacting galaxies with the latter being further discussed with respect to both global properties and properties of the galactic nuclei. Then followed the theory, modelling and interpretation using analytic techniques, simulations and general modelling for spirals and ellipticals, starbursts and active galactic nuclei. Before the conference the author wrote down the three questions concerning pairs, groups and interacting galaxies that he hoped would be answered at the meeting: (1) How do they form, including the role of initial conditions, the importance of subclustering, the evolution of groups to compact groups, and the fate of compact groups; (2) How do they evolve, including issues such as relevant timescales, the role of halos and the problem of overmerging, the triggering and enhancement of star formation and activity in the galactic nuclei, and the relative importance of dwarf versus giant encounters; and (3) Are they important, including the frequency of pairs and interactions, whether merging and interactions are very important aspects of the life of a normal galaxy at formation, during its evolution, in forming bars, shells, rings, bulges, etc., and in the formation and evolution of active galaxies? Where possible he focuses on these three central issues in the summary.

  12. Three-phase Interstellar Medium in Galaxies Resolving Evolution with Star Formation and Supernova Feedback (TIGRESS): Algorithms, Fiducial Model, and Convergence

    NASA Astrophysics Data System (ADS)

    Kim, Chang-Goo; Ostriker, Eve C.

    2017-09-01

    We introduce TIGRESS, a novel framework for multi-physics numerical simulations of the star-forming interstellar medium (ISM) implemented in the Athena MHD code. The algorithms of TIGRESS are designed to spatially and temporally resolve key physical features, including: (1) the gravitational collapse and ongoing accretion of gas that leads to star formation in clusters; (2) the explosions of supernovae (SNe), both near their progenitor birth sites and from runaway OB stars, with time delays relative to star formation determined by population synthesis; (3) explicit evolution of SN remnants prior to the onset of cooling, which leads to the creation of the hot ISM; (4) photoelectric heating of the warm and cold phases of the ISM that tracks the time-dependent ambient FUV field from the young cluster population; (5) large-scale galactic differential rotation, which leads to epicyclic motion and shears out overdense structures, limiting large-scale gravitational collapse; (6) accurate evolution of magnetic fields, which can be important for vertical support of the ISM disk as well as angular momentum transport. We present tests of the newly implemented physics modules, and demonstrate application of TIGRESS in a fiducial model representing the solar neighborhood environment. We use a resolution study to demonstrate convergence and evaluate the minimum resolution {{Δ }}x required to correctly recover several ISM properties, including the star formation rate, wind mass-loss rate, disk scale height, turbulent and Alfvénic velocity dispersions, and volume fractions of warm and hot phases. For the solar neighborhood model, all these ISM properties are converged at {{Δ }}x≤slant 8 {pc}.

  13. Properties of Galaxies and Groups: Nature versus Nurture

    NASA Astrophysics Data System (ADS)

    Niemi, Sami-Matias

    2011-09-01

    Due to the inherently nonlinear nature of gravity cosmological N-body simulations have become an invaluable tool when the growth of structure is being studied and modelled closer to the present epoch. Large simulations with high dynamical range have made it possible to model the formation and growth of cosmic structure with unprecedented accuracy. Moreover, galaxies, the basic building blocks of the Universe, can also be modelled in cosmological context. However, despite all the simulations and successes in recent decades, there are still many unanswered questions in the field of galaxy formation and evolution. One of the longest standing issue being the significance of the formation place and thus initial conditions to a galaxy's evolution in respect to environment, often formulated simply as "nature versus nurture" like in human development and psychology. Unfortunately, our understanding of galaxy evolution in different environments is still limited, albeit, for example, the morphology-density relation has shown that the density of the galaxy's local environment can affect its properties. Consequently, the environment should play a role in galaxy evolution, however despite the efforts, the exact role of the galaxy's local environment to its evolution remains open. This thesis introduction discusses briefly the background cosmology, cosmological N-body simulations and semi-analytical models. The second part is reserved for groups of galaxies, whether they are gravitationally bound, and what this may imply for galaxy evolution. The third part of the thesis concentrates on describing results of a case study of isolated field elliptical galaxies. The final chapter discusses another case study of luminous infra-red galaxies.

  14. DFT Studies of Graphene-Functionalised Derivatives of Capecitabine

    NASA Astrophysics Data System (ADS)

    Aramideh, Mehdi; Mirzaei, Mahmoud; Khodarahmi, Ghadamali; Gülseren, Oğuz

    2017-11-01

    Cancer is one of the major problems for so many people around the world; therefore, dedicating efforts to explore efficient therapeutic methodologies is very important for researchers of life sciences. In this case, nanostructures are expected to be carriers of medicinal compounds for targeted drug design and delivery purposes. Within this work, the graphene (Gr)-functionalised derivatives of capecitabine (CAP), as a representative anticancer, have been studied based on density functional theory calculations. Two different sizes of Gr molecular models have been used for the functionalisation of CAP counterparts, CAP-Gr3 and CAP-Gr5, to explore the effects of Gr-functionalisation on the original properties of CAP. All singular and functionalised molecular models have been optimised and the molecular and atomic scale properties have been evaluated for the optimised structures. Higher formation favourability has been obtained for CAP-Gr5 in comparison with CAP-Gr3 and better structural stability has been obtained in the water-solvated system than the isolated gas-phase system for all models. The CAP-Gr5 model could play a better role of electron transferring in comparison with the CAP-Gr3 model. As a concluding remark, the molecular properties of CAP changed from singular to functionalised models whereas the atomic properties remained almost unchanged, which is expected for a carrier not to use significant perturbations to the original properties of the carried counterpart.

  15. Bacterial interactions and transport in geological formation of alumino-silica clays.

    PubMed

    Vu, Kien; Yang, Guang; Wang, Boya; Tawfiq, Kamal; Chen, Gang

    2015-01-01

    Bacterial transport in the subsurface is controlled by their interactions with the surrounding environment, which are determined by the surface properties of the geological formation and bacterial surfaces. In this research, surface thermodynamic properties of Escherichia coli and the geological formation of alumino-silica clays were characterized based on contact angle measurements, which were utilized to quantify the distance-dependent interactions between E. coli and the geological formation according to the traditional and extended Derjaguin, Landau, Verwey and Overbeek (DLVO) theory. E. coli attachment to alumino-silica clays was evaluated in laboratory columns under saturated and steady-state flow conditions. E. coli deposition coefficient and desorption coefficient were simulated using convection-dispersion transport models against E. coli breakthrough curves, which were then linked to interactions between E. coli and the geological formation. It was discovered that E. coli deposition was controlled by the long-ranged electrostatic interaction and E. coli desorption was attributed to the short-ranged Lifshitz-van der Waals and Lewis acid-base interactions. E. coli transport in three layers of different alumino-silica clays was further examined and the breakthrough curve was simulated using E. coli deposition coefficient and desorption coefficient obtained from their individual column experiments. The well-fitted simulation confirmed that E. coli transport observations were interaction-dependent phenomena between E. coli and the geological formation. Published by Elsevier B.V.

  16. Complex structures from patterned cell sheets

    PubMed Central

    Misra, M.; Audoly, B.; Shvartsman, S. Y.

    2017-01-01

    The formation of three-dimensional structures from patterned epithelial sheets plays a key role in tissue morphogenesis. An important class of morphogenetic mechanisms relies on the spatio-temporal control of apical cell contractility, which can result in the localized bending of cell sheets and in-plane cell rearrangements. We have recently proposed a modified vertex model that can be used to systematically explore the connection between the two-dimensional patterns of cell properties and the emerging three-dimensional structures. Here we review the proposed modelling framework and illustrate it through the computational analysis of the vertex model that captures the salient features of the formation of the dorsal appendages during Drosophila oogenesis. This article is part of the themed issue ‘Systems morphodynamics: understanding the development of tissue hardware’. PMID:28348251

  17. From atomistic interfaces to dendritic patterns

    NASA Astrophysics Data System (ADS)

    Galenko, P. K.; Alexandrov, D. V.

    2018-01-01

    Transport processes around phase interfaces, together with thermodynamic properties and kinetic phenomena, control the formation of dendritic patterns. Using the thermodynamic and kinetic data of phase interfaces obtained on the atomic scale, one can analyse the formation of a single dendrite and the growth of a dendritic ensemble. This is the result of recent progress in theoretical methods and computational algorithms calculated using powerful computer clusters. Great benefits can be attained from the development of micro-, meso- and macro-levels of analysis when investigating the dynamics of interfaces, interpreting experimental data and designing the macrostructure of samples. The review and research articles in this theme issue cover the spectrum of scales (from nano- to macro-length scales) in order to exhibit recently developing trends in the theoretical analysis and computational modelling of dendrite pattern formation. Atomistic modelling, the flow effect on interface dynamics, the transition from diffusion-limited to thermally controlled growth existing at a considerable driving force, two-phase (mushy) layer formation, the growth of eutectic dendrites, the formation of a secondary dendritic network due to coalescence, computational methods, including boundary integral and phase-field methods, and experimental tests for theoretical models-all these themes are highlighted in the present issue. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  18. A New Approach for Simulating Galaxy Cluster Properties

    NASA Astrophysics Data System (ADS)

    Arieli, Y.; Rephaeli, Y.; Norman, M. L.

    2008-08-01

    We describe a subgrid model for including galaxies into hydrodynamical cosmological simulations of galaxy cluster evolution. Each galaxy construct—or galcon—is modeled as a physically extended object within which star formation, galactic winds, and ram pressure stripping of gas are modeled analytically. Galcons are initialized at high redshift (z ~ 3) after galaxy dark matter halos have formed but before the cluster has virialized. Each galcon moves self-consistently within the evolving cluster potential and injects mass, metals, and energy into intracluster (IC) gas through a well-resolved spherical interface layer. We have implemented galcons into the Enzo adaptive mesh refinement code and carried out a simulation of cluster formation in a ΛCDM universe. With our approach, we are able to economically follow the impact of a large number of galaxies on IC gas. We compare the results of the galcon simulation with a second, more standard simulation where star formation and feedback are treated using a popular heuristic prescription. One advantage of the galcon approach is explicit control over the star formation history of cluster galaxies. Using a galactic SFR derived from the cosmic star formation density, we find the galcon simulation produces a lower stellar fraction, a larger gas core radius, a more isothermal temperature profile, and a flatter metallicity gradient than the standard simulation, in better agreement with observations.

  19. Sum rules for the uniform-background model of an atomic-sharp metal corner

    NASA Astrophysics Data System (ADS)

    Streitenberger, P.

    1994-04-01

    Analytical results are derived for the electrostatic potential of an atomic-sharp 90° metal corner in the uniform-background model. The electrostatic potential at a free jellium edge and the jellium corner, respectively, is determined exactly in terms of the energy per electron of the uniform electron gas integrated over the background density. The surface energy, the edge formation energy and the derivative of the corner formation energy with respect to the background density are given as integrals over the electrostatic potential. The present approach represents a novel approach to such sum rules, inclusive of the Budd-Vannimenus sum rules for a free jellium surface, based on general properties of linear response functions.

  20. Possible Imprints of Cold-mode Accretion on the Present-day Properties of Disk Galaxies

    NASA Astrophysics Data System (ADS)

    Noguchi, Masafumi

    2018-01-01

    Recent theoretical studies suggest that a significant part of the primordial gas accretes onto forming galaxies as narrow filaments of cold gas without building a shock and experiencing heating. Using a simple model of disk galaxy evolution that combines the growth of dark matter halos predicted by cosmological simulations with a hypothetical form of cold-mode accretion, we investigate how this cold-accretion mode affects the formation process of disk galaxies. It is found that the shock-heating and cold-accretion models produce compatible results for low-mass galaxies owing to the short cooling timescale in such galaxies. However, cold accretion significantly alters the evolution of disk galaxies more massive than the Milky Way and puts observable fingerprints on their present properties. For a galaxy with a virial mass {M}{vir}=2.5× {10}12 {M}ȯ , the scale length of the stellar disk is larger by 41% in the cold-accretion model than in the shock-heating model, with the former model reproducing the steep rise in the size–mass relation observed at the high-mass end. Furthermore, the stellar component of massive galaxies becomes significantly redder (0.66 in u ‑ r at {M}{vir}=2.5× {10}12 {M}ȯ ), and the observed color–mass relation in nearby galaxies is qualitatively reproduced. These results suggest that large disk galaxies with red optical colors may be the product of cold-mode accretion. The essential role of cold accretion is to promote disk formation in the intermediate-evolution phase (0.5< z< 1.5) by providing the primordial gas having large angular momentum and to terminate late-epoch accretion, quenching star formation and making massive galaxies red.

  1. Effects of Dissolved Organic Matter Properties on Formation and Composition of Mineral-Organic Co-Precipitates at the Nanometer Scale

    NASA Astrophysics Data System (ADS)

    Possinger, A. R.; Zachman, M.; Lehmann, J.

    2016-12-01

    An important, yet largely overlooked case of soil organic carbon (SOC) stabilization through mineral-organic associations is the co-precipitation of dissolved organic matter (DOM) into mineral precipitates as they form. The contribution of co-precipitated DOM to the mineral-stabilized SOC pool is expected to be greatest in soil environments with frequent mineral dissolution and precipitation processes. Compared to surface adsorption, properties of mineral-organic co-precipitates are expected to differ at both the particle scale (e.g., total carbon (C) content and composition) and the molecular scale (e.g., impurities in mineral structure), with potential implications for stability and C turnover; additionally, these properties vary across C sources, amounts, and forms. Consequently, high-resolution visualization and characterization combined with bulk chemical measurements is needed to provide a more complete understanding of co-precipitate formation processes and properties, especially as a function of C co-precipitant characteristics. In this study, we evaluate the effect of model C compound and DOM chemical properties (e.g., iron-binding affinity) on the formation, structure, and chemical properties of ferrihydrite (Fh) (Fe3+3O2 •0.5H2O) co-precipitates. Salicylic acid (SA), sucrose and water-extractable DOM from coniferous or deciduous-dominated organic soils were either adsorbed to pre-formed Fh or co-precipitated with Fh. At a C/Fe ratio 10, the amount of co-precipitated C differed among all organic compounds, and for DOM, was more than 2X greater for co-precipitation than adsorption, suggesting a greater capacity for C retention. To probe the molecular-scale C spatial distribution of Fh-SA particles, we obtained Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) maps at a nanometer-scale spatial pixel resolution. Additionally, we will present chemical characteristics of organic-Fh co-precipitates and adsorption complexes investigated in bulk using C Near-Edge X-ray Absorption Fine Structure (NEXAFS) and Fourier Transform Infrared (FT-IR) spectroscopy. Ultimately, these observations of model co-precipitation systems will be used to better interpret observations of putative co-precipitated OM in natural soils.

  2. Handsheet formation and mechanical testing via fiber-level simulations

    Treesearch

    Leonard H. Switzer; Daniel J. Klingenberg; C. Tim Scott

    2004-01-01

    A fiber model and simulation method are employed to investigate the mechanical response of planar fiber networks subjected to elongational deformation. The simulated responses agree qualitatively with numerous experimental observations. suggesting that such simulation methods may be useful for probing the relationships between fiber properties and interactions and the...

  3. Extragalactic Gravitational Collapse

    NASA Astrophysics Data System (ADS)

    Rees, Martin J.

    After some introductory "numerology", routes towards black hole formation are briefly reviewed; some properties of black holes relevant to theories for active galactic nuclei are then described. Applications are considered to specific models for energy generation and the production of relativistic beams. The paper concludes with a discussion of extragalactic sources of gravitational waves.

  4. Insights into the disparate action of osmolytes and macromolecular crowders on amyloid formation

    PubMed Central

    Sukenik, Shahar

    2012-01-01

    It is widely recognized that amyloid formation sensitively responds to conditions set by myriad cellular solutes. These cosolutes include two important classes: macromolecular crowders and compatible osmolytes. We have recently found that addition of macromolecular PEG only slightly affects fibril formation of a model peptide in vitro. Polyol osmolytes, in contrast, lengthen the lag time for aggregation, and lead to larger fibril mass at equilibrium. To further hypothesize on the molecular underpinnings of the disparate effect of the two cosolute classes, we have further analyzed the experiments using an available kinetic mechanism describing fibril aggregation. Model calculations suggest that all cosolutes similarly lengthen the time required for nucleation, possibly due to their excluded volume effect. However, PEGs may in addition promote fibril fragmentation, leading to lag times that are overall almost unvaried. Moreover, polyols effectively slow the monomer-fibril detachment rates, thereby favoring additional fibril formation. Our analysis provides first hints that cosolutes act not only by changing association or dissociation rates, but potentially also by directing the formation of fibrils of varied morphologies with different mechanical properties. Although additional experiments are needed to unambiguously resolve the action of excluded cosolutes on amyloid formation, it is becoming clear that these compounds are important to consider in the search for ways to modulate fibril formation. PMID:22453174

  5. Oleophobic properties of the step-and-terrace sapphire surface

    NASA Astrophysics Data System (ADS)

    Muslimov, A. E.; Butashin, A. V.; Kanevsky, V. M.

    2017-03-01

    Sapphire is widely used in production of optical windows for various devices due to its mechanical and optical properties. However, during operation the surface can be affected by fats, oils, and other organic contaminations. Therefore, it is important to improve the oleophobic properties of sapphire windows. In this study, we investigate the interaction of a supersmooth sapphire surface with oleic acid droplets, which imitate human finger printing. It is established that chemical-mechanical polishing with additional annealing in air, which leads to the formation of an atomically smooth sapphire surface, makes it possible to significantly improve the oleophobic properties of the surface. The results are analyzed using the Ventsel-Deryagin homogeneous wetting model.

  6. Oleophobic properties of the step-and-terrace sapphire surface

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Muslimov, A. E., E-mail: amuslimov@mail.ru; Butashin, A. V.; Kanevsky, V. M.

    Sapphire is widely used in production of optical windows for various devices due to its mechanical and optical properties. However, during operation the surface can be affected by fats, oils, and other organic contaminations. Therefore, it is important to improve the oleophobic properties of sapphire windows. In this study, we investigate the interaction of a supersmooth sapphire surface with oleic acid droplets, which imitate human finger printing. It is established that chemical–mechanical polishing with additional annealing in air, which leads to the formation of an atomically smooth sapphire surface, makes it possible to significantly improve the oleophobic properties of themore » surface. The results are analyzed using the Ventsel–Deryagin homogeneous wetting model.« less

  7. Synthesis, characterization and optical properties of gelatin doped with silver nanoparticles.

    PubMed

    Mahmoud, K H; Abbo, M

    2013-12-01

    In this study, silver nanoparticles were synthesized by chemical reduction of silver salt (AgNO3) solution. Formation of nanoparticles was confirmed by UV-visible spectrometry. The surface plasmon resonance peak is located at 430 nm. Doping of silver nanoparticles (Ag NPs) with gelatin biopolymer was studied. The silver content in the polymer matrix was in the range of 0.4-1 wt%. The formation of nanoparticles disappeared for silver content higher than 1 wt%. The morphology and interaction of gelatin doped with Ag NPs was examined by transmission electron microscopy and FTIR spectroscopy. The content of Ag NPs has a pronounced effect on optical and structural properties of gelatin. Optical parameters such as refractive index, complex dielectric constant were calculated. The dispersion of the refractive index was discussed in terms of the single--oscillator Wemple-DiDomenico model. Color properties of the prepared samples were discussed in the framework of CIE L(*)u(*)v(*) color space. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Fractional statistics and quantum scaling properties of the integrable Penson-Kolb-Hubbard chain

    NASA Astrophysics Data System (ADS)

    Vitoriano, Carlindo; Coutinho-Filho, M. D.

    2010-09-01

    We investigate the ground-state and low-temperature properties of the integrable version of the Penson-Kolb-Hubbard chain. The model obeys fractional statistical properties, which give rise to fractional elementary excitations and manifest differently in the four regions of the phase diagram U/t versus n , where U is the Coulomb coupling, t is the correlated hopping amplitude, and n is the particle density. In fact, we can find local pair formation, fractionalization of the average occupation number per orbital k , or U - and n -dependent average electric charge per orbital k . We also study the scaling behavior near the U -driven quantum phase transitions and characterize their universality classes. Finally, it is shown that in the regime of parameters where local pair formation is energetically more favorable, the ground state exhibits power-law superconductivity; we also stress that above half filling the pair-hopping term stabilizes local Cooper pairs in the repulsive- U regime for U

  9. Synthesis, characterization and optical properties of gelatin doped with silver nanoparticles

    NASA Astrophysics Data System (ADS)

    Mahmoud, K. H.; Abbo, M.

    2013-12-01

    In this study, silver nanoparticles were synthesized by chemical reduction of silver salt (AgNO3) solution. Formation of nanoparticles was confirmed by UV-visible spectrometry. The surface plasmon resonance peak is located at 430 nm. Doping of silver nanoparticles (Ag NPs) with gelatin biopolymer was studied. The silver content in the polymer matrix was in the range of 0.4-1 wt%. The formation of nanoparticles disappeared for silver content higher than 1 wt%. The morphology and interaction of gelatin doped with Ag NPs was examined by transmission electron microscopy and FTIR spectroscopy. The content of Ag NPs has a pronounced effect on optical and structural properties of gelatin. Optical parameters such as refractive index, complex dielectric constant were calculated. The dispersion of the refractive index was discussed in terms of the single - oscillator Wemple-DiDomenico model. Color properties of the prepared samples were discussed in the framework of CIE L*u*v* color space.

  10. Self-propagated combustion synthesis of few-layered graphene: an optical properties perspective.

    PubMed

    Mohandoss, Manonmani; Sen Gupta, Soujit; Kumar, Ramesh; Islam, Md Rabiul; Som, Anirban; Mohd, Azhardin Ganayee; Pradeep, T; Maliyekkal, Shihabudheen M

    2018-04-26

    This paper describes a labour efficient and cost-effective strategy to prepare few-layered of reduced graphene oxide like (RGOL) sheets from graphite. The self-propagated combustion route enables the bulk production of RGOL sheets. Microscopic and spectroscopic analyses confirmed the formation of few-layer graphene sheets of an average thickness of ∼3 nm and the presence of some oxygen functional groups with a C/O ratio of 8.74. A possible mechanistic pathway for the formation of RGOL sheets is proposed. The optical properties of the RGOL sample were studied in detail by means of Spectroscopic Ellipsometry (SE). The experimental abilities of SE in relating the optical properties with the number of oxygen functionalities present in the samples are explored. The data were analysed by a double-layered optical model along with the Drude-Lorentz oscillatory dispersion relation. The refractive index (n = 2.24), extinction coefficient (k = 2.03), and dielectric functions are obtained using point-by-point analysis and are also checked for Kramers-Kronig (KK) consistency.

  11. 2010 Atmospheric System Research (ASR) Science Team Meeting Summary

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dupont, DL

    This document contains the summaries of papers presented in poster format at the March 2010 Atmospheric System Research Science Team Meeting held in Bethesda, Maryland. More than 260 posters were presented during the Science Team Meeting. Posters were sorted into the following subject areas: aerosol-cloud-radiation interactions, aerosol properties, atmospheric state and surface, cloud properties, field campaigns, infrastructure and outreach, instruments, modeling, and radiation. To put these posters in context, the status of ASR at the time of the meeting is provided here.

  12. Opinion formation in time-varying social networks: The case of the naming game

    NASA Astrophysics Data System (ADS)

    Maity, Suman Kalyan; Manoj, T. Venkat; Mukherjee, Animesh

    2012-09-01

    We study the dynamics of the naming game as an opinion formation model on time-varying social networks. This agent-based model captures the essential features of the agreement dynamics by means of a memory-based negotiation process. Our study focuses on the impact of time-varying properties of the social network of the agents on the naming game dynamics. In particular, we perform a computational exploration of this model using simulations on top of real networks. We investigate the outcomes of the dynamics on two different types of time-varying data: (1) the networks vary on a day-to-day basis and (2) the networks vary within very short intervals of time (20 sec). In the first case, we find that networks with strong community structure hinder the system from reaching global agreement; the evolution of the naming game in these networks maintains clusters of coexisting opinions indefinitely leading to metastability. In the second case, we investigate the evolution of the naming game in perfect synchronization with the time evolution of the underlying social network shedding new light on the traditional emergent properties of the game that differ largely from what has been reported in the existing literature.

  13. The dark side of galaxy colour

    NASA Astrophysics Data System (ADS)

    Hearin, Andrew P.; Watson, Douglas F.

    2013-10-01

    We present age distribution matching, a theoretical formalism for predicting how galaxies of luminosity L and colour C occupy dark matter haloes. Our model supposes that there are just two fundamental properties of a halo that determine the colour and brightness of the galaxy it hosts: the maximum circular velocity Vmax and the redshift zstarve that correlates with the epoch at which the star formation in the galaxy ceases. The halo property zstarve is intended to encompass physical characteristics of halo mass assembly that may deprive the galaxy of its cold gas supply and, ultimately, quench its star formation. The new, defining feature of the model is that, at fixed luminosity, galaxy colour is in monotonic correspondence with zstarve, with the larger values of zstarve being assigned redder colours. We populate an N-body simulation with a mock galaxy catalogue based on age distribution matching and show that the resulting mock galaxy distribution accurately describes a variety of galaxy statistics. Our model suggests that halo and galaxy assembly are indeed correlated. We make publicly available our low-redshift, Sloan Digital Sky Survey Mr < -19 mock galaxy catalogue, and main progenitor histories of all z = 0 haloes, at http://logrus.uchicago.edu/~aphearin

  14. Injectable Polyurethane Composite Scaffolds Delay Wound Contraction and Support Cellular Infiltration and Remodeling in Rat Excisional Wounds

    PubMed Central

    Adolph, Elizabeth J.; Hafeman, Andrea E.; Davidson, Jeffrey M.; Nanney, Lillian B.; Guelcher, Scott A.

    2011-01-01

    Injectable scaffolds present compelling opportunities for wound repair and regeneration due to their ability to fill irregularly shaped defects and deliver biologics such as growth factors. In this study, we investigated the properties of injectable polyurethane biocomposite scaffolds and their application in cutaneous wound repair using a rat excisional model. The scaffolds have a minimal reaction exotherm and clinically relevant working and setting times. Moreover, the biocomposites have mechanical and thermal properties consistent with rubbery elastomers. In the rat excisional wound model, injection of settable biocomposite scaffolds stented the wounds at early time points, resulting in a regenerative rather than a scarring phenotype at later time points. Measurements of wound width and thickness revealed that the treated wounds were less contracted at day 7 compared to blank wounds. Analysis of cell proliferation and apoptosis showed that the scaffolds were biocompatible and supported tissue ingrowth. Myofibroblast formation and collagen fiber organization provided evidence that the scaffolds have a positive effect on extracellular matrix remodeling by disrupting the formation of an aligned matrix under elevated tension. In summary, we have developed an injectable biodegradable polyurethane biocomposite scaffold that enhances cutaneous wound healing in a rat model. PMID:22105887

  15. Spin vectors in the Koronis family: III. (832) Karin

    NASA Astrophysics Data System (ADS)

    Slivan, Stephen M.; Molnar, Lawrence A.

    2012-08-01

    Studies of asteroid families constrain models of asteroid collisions and evolution processes, and the Karin cluster within the Koronis family is among the youngest families known (Nesvorný, D., Bottke, Jr., W.F., Dones, L., Levison, H.F. [2002]. Nature 417, 720-722). (832) Karin itself is by far the largest member of the Karin cluster, thus knowledge of Karin's spin vector is important to constrain family formation and evolution models that include spin, and to test whether its spin properties are consistent with the Karin cluster being a very young family. We observed rotation lightcurves of Karin during its four consecutive apparitions in 2006-2009, and combined the new observations with previously published lightcurves to determine its spin vector orientation and preliminary model shape. Karin is a prograde rotator with a period of (18.352 ± 0.003) h, spin obliquity near (42 ± 5)°, and pole ecliptic longitude near either (52 ± 5)° or (230 ± 5)°. The spin vector and shape results for Karin will constrain models of family formation that include spin properties; in the meantime we briefly discuss Karin's own spin in the context of those of other members of the Karin cluster and the parent body's siblings in the Koronis family.

  16. Synthesis of Prebiotic Caramels Catalyzed by Ion-Exchange Resin Particles: Kinetic Model for the Formation of Di-d-fructose Dianhydrides.

    PubMed

    Ortiz Cerda, Imelda-Elizabeth; Thammavong, Phahath; Caqueret, Vincent; Porte, Catherine; Mabille, Isabelle; Garcia Fernandez, José Manuel; Moscosa Santillan, Mario; Havet, Jean-Louis

    2018-02-21

    Caramel enriched in di-d-fructose dianhydrides (DFAs, a family of prebiotic cyclic fructodisaccharides) is a functional food with beneficial properties for health. The aim of this work was to study the conversion of fructose into DFAs catalyzed by acid ion-exchange resin, in order to establish a simplified mechanism of the caramelization reaction and a kinetic model for DFA formation. Batch reactor experiments were carried out in a 250 mL spherical glass flask and afforded up to 50% DFA yields. The mechanism proposed entails order 2 reactions that describe fructose conversion on DFAs or formation of byproducts such as HMF or melanoidines. A third order 1 reaction defines DFA transformation into fructosyl-DFAs or fructo-oligosaccharides. The influence of fructose concentration, resin loading and temperature was studied to calculate the kinetic parameters necessary to scale up the process.

  17. The Growth of the Disk Galaxy UGC8802

    NASA Astrophysics Data System (ADS)

    Chang, R. X.; Shen, S. Y.; Hou, J. L.

    2012-07-01

    The disk galaxy UGC8802 has high neutral gas content and a flat profile of star formation rate compared to other disk galaxies with similar stellar mass. It also shows a steep metallicity gradient. We construct a chemical evolution model to explore its growth history by assuming its disk grows gradually from continuous gas infall, which is shaped by a free parameter—the infall-peak time. By adopting the recently observed molecular surface density related star formation law, we show that a late infall-peak time can naturally explain the observed high neutral gas content, while an inside-out disk formation scenario can fairly reproduce the steep oxygen abundance gradient. Our results show that most of the observed features of UGC8802 can be well reproduced by simply "turning the knob" on gas inflow with one single parameter, which implies that the observed properties of gas-rich galaxies could also be modeled in a similar way.

  18. Atomistic to continuum modeling of solidification microstructures

    DOE PAGES

    Karma, Alain; Tourret, Damien

    2015-09-26

    We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked tomore » experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.« less

  19. VizieR Online Data Catalog: Type 2 AGN host galaxies in Chandra-COSMOS (Suh+, 2017)

    NASA Astrophysics Data System (ADS)

    Suh, H.; Civano, F.; Hasinger, G.; Lusso, E.; Lanzuisi, G.; Marchesi, S.; Trakhtenbrot, B.; Allevato, V.; Cappelluti, N.; Capak, P. L.; Elvis, M.; Griffiths, R. E.; Laigle, C.; Lira, P.; Riguccini, L.; Rosario, D. J.; Salvato, M.; Schawinski, K.; Vignali, C.

    2018-01-01

    We investigate the star formation properties of a large sample of ~2300 X-ray-selected Type 2 Active Galactic Nuclei (AGNs) host galaxies out to z~3 in the Chandra COSMOS Legacy Survey in order to understand the connection between the star formation and nuclear activity. Making use of the existing multi-wavelength photometric data available in the COSMOS field, we perform a multi-component modeling from far-infrared to near-ultraviolet using a nuclear dust torus model, a stellar population model and a starburst model of the spectral energy distributions (SEDs). Through detailed analyses of SEDs, we derive the stellar masses and the star formation rates (SFRs) of Type 2 AGN host galaxies. The stellar mass of our sample is in the range of 93), and grow slowly through secular fueling processes hosting moderate-luminosity AGNs. (1 data file).

  20. A physiologically based pharmacokinetic model of vitamin D ...

    EPA Pesticide Factsheets

    See attached 1. Please explain the nature of the study that resulted in this paper or presentation. This study presents an application of PBPK modeling to describe the formation of Vitamin D3. Recently, there has been a surge of interest in the health benefits of Vitamin D3, from heart health to cancer. Despite its importance, a PBPK model for Vitamin D3 does not exist in the literature. Due to its anti-inflammatory properties, Vitamin D3 is being prescribed to patients suffering diverse chronic illnesses. Because of its importance in several conditions, we thought it was important to understand its metabolic formation from precursors and distribution in the body. Time course data from the literature following the effect of oral supplementation in healthy adults was used to develop the first PBPK model for Vitamin D formation. 2. Why was this study done? The goal of this paper was to develop a PBPK model describing the metabolic formation of Vitamin D (as Vitamin D3) when receiving oral supplementation. In the process of developing the PBPK model, several novel concepts were used. For example, due to the extreme lipophilic nature of this vitamin (derived from cholesterol), partition coefficients were varied as a function of dose and time. Also, the regulation of enzymatic metabolism by its product (Vitamin D) was also examined. The result was a very different approach used, and a PBPK model that describes an essential vitamin in the body. 3. What is t

  1. Predicting episodic memory formation for movie events

    PubMed Central

    Tang, Hanlin; Singer, Jed; Ison, Matias J.; Pivazyan, Gnel; Romaine, Melissa; Frias, Rosa; Meller, Elizabeth; Boulin, Adrianna; Carroll, James; Perron, Victoria; Dowcett, Sarah; Arellano, Marlise; Kreiman, Gabriel

    2016-01-01

    Episodic memories are long lasting and full of detail, yet imperfect and malleable. We quantitatively evaluated recollection of short audiovisual segments from movies as a proxy to real-life memory formation in 161 subjects at 15 minutes up to a year after encoding. Memories were reproducible within and across individuals, showed the typical decay with time elapsed between encoding and testing, were fallible yet accurate, and were insensitive to low-level stimulus manipulations but sensitive to high-level stimulus properties. Remarkably, memorability was also high for single movie frames, even one year post-encoding. To evaluate what determines the efficacy of long-term memory formation, we developed an extensive set of content annotations that included actions, emotional valence, visual cues and auditory cues. These annotations enabled us to document the content properties that showed a stronger correlation with recognition memory and to build a machine-learning computational model that accounted for episodic memory formation in single events for group averages and individual subjects with an accuracy of up to 80%. These results provide initial steps towards the development of a quantitative computational theory capable of explaining the subjective filtering steps that lead to how humans learn and consolidate memories. PMID:27686330

  2. Predicting episodic memory formation for movie events.

    PubMed

    Tang, Hanlin; Singer, Jed; Ison, Matias J; Pivazyan, Gnel; Romaine, Melissa; Frias, Rosa; Meller, Elizabeth; Boulin, Adrianna; Carroll, James; Perron, Victoria; Dowcett, Sarah; Arellano, Marlise; Kreiman, Gabriel

    2016-09-30

    Episodic memories are long lasting and full of detail, yet imperfect and malleable. We quantitatively evaluated recollection of short audiovisual segments from movies as a proxy to real-life memory formation in 161 subjects at 15 minutes up to a year after encoding. Memories were reproducible within and across individuals, showed the typical decay with time elapsed between encoding and testing, were fallible yet accurate, and were insensitive to low-level stimulus manipulations but sensitive to high-level stimulus properties. Remarkably, memorability was also high for single movie frames, even one year post-encoding. To evaluate what determines the efficacy of long-term memory formation, we developed an extensive set of content annotations that included actions, emotional valence, visual cues and auditory cues. These annotations enabled us to document the content properties that showed a stronger correlation with recognition memory and to build a machine-learning computational model that accounted for episodic memory formation in single events for group averages and individual subjects with an accuracy of up to 80%. These results provide initial steps towards the development of a quantitative computational theory capable of explaining the subjective filtering steps that lead to how humans learn and consolidate memories.

  3. Sclerostin and Dickkopf-1 as therapeutic targets in bone diseases.

    PubMed

    Ke, Hua Zhu; Richards, William G; Li, Xiaodong; Ominsky, Michael S

    2012-10-01

    The processes of bone growth, modeling, and remodeling determine the structure, mass, and biomechanical properties of the skeleton. Dysregulated bone resorption or bone formation may lead to metabolic bone diseases. The Wnt pathway plays an important role in bone formation and regeneration, and expression of two Wnt pathway inhibitors, sclerostin and Dickkopf-1 (DKK1), appears to be associated with changes in bone mass. Inactivation of sclerostin leads to substantially increased bone mass in humans and in genetically manipulated animals. Studies in various animal models of bone disease have shown that inhibition of sclerostin using a monoclonal antibody (Scl-Ab) increases bone formation, density, and strength. Additional studies show that Scl-Ab improves bone healing in models of bone repair. Inhibition of DKK1 by monoclonal antibody (DKK1-Ab) stimulates bone formation in younger animals and to a lesser extent in adult animals and enhances fracture healing. Thus, sclerostin and DKK1 are emerging as the leading new targets for anabolic therapies to treat bone diseases such as osteoporosis and for bone repair. Clinical trials are ongoing to evaluate the effects of Scl-Ab and DKK1-Ab in humans for the treatment of bone loss and for bone repair.

  4. Using SDO/AIA to Understand the Thermal Evolution of Solar Prominence Formation

    NASA Astrophysics Data System (ADS)

    Viall, Nicholeen; M.; Kucera, Therese T.; Karpen, Judith

    2016-10-01

    In this study, we investigate prominence formation using time series analysis of Solar Dynamics Observatory's Atmospheric Imaging Assembly (SDO/AIA) data. We investigate the thermal properties of forming prominences by analyzing observed light curves using the same technique that we have already successfully applied to active regions to diagnose heating and cooling cycles. This technique tracks the thermal evolution using emission formed at different temperatures, made possible by AIA's different wavebands and high time resolution. We also compute the predicted light curves in the same SDO/AIA channels of a hydrodynamic model of thermal nonequilibrium formation of prominence material, an evaporation-condensation model. In these models of prominence formation, heating at the foot-points of sheared coronal flux-tubes results in evaporation of material of a few MK into the corona followed by catastrophic cooling of the hot material to form cool ( 10,000 K) prominence material. We demonstrate that the SDO/AIA light curves for flux tubes undergoing thermal nonequilibrium vary at different locations along the flux tube, especially in the region where the condensate forms, and we compare the predicted light curves with those observed. Supported by NASA's Living with a Star program.

  5. Studies of Planet Formation using a Hybrid N-body + Planetesimal Code

    NASA Technical Reports Server (NTRS)

    Kenyon, Scott J.; Bromley, Benjamin C.; Salamon, Michael (Technical Monitor)

    2005-01-01

    The goal of our proposal was to use a hybrid multi-annulus planetesimal/n-body code to examine the planetesimal theory, one of the two main theories of planet formation. We developed this code to follow the evolution of numerous 1 m to 1 km planetesimals as they collide, merge, and grow into full-fledged planets. Our goal was to apply the code to several well-posed, topical problems in planet formation and to derive observational consequences of the models. We planned to construct detailed models to address two fundamental issues: 1) icy planets - models for icy planet formation will demonstrate how the physical properties of debris disks, including the Kuiper Belt in our solar system, depend on initial conditions and input physics; and 2) terrestrial planets - calculations following the evolution of 1-10 km planetesimals into Earth-mass planets and rings of dust will provide a better understanding of how terrestrial planets form and interact with their environment. During the past year, we made progress on each issue. Papers published in 2004 are summarized. Summaries of work to be completed during the first half of 2005 and work planned for the second half of 2005 are included.

  6. Modeling mechanical interactions between cancerous mammary acini

    NASA Astrophysics Data System (ADS)

    Wang, Jeffrey; Liphardt, Jan; Rycroft, Chris

    2015-03-01

    The rules and mechanical forces governing cell motility and interactions with the extracellular matrix of a tissue are often critical for understanding the mechanisms by which breast cancer is able to spread through the breast tissue and eventually metastasize. Ex vivo experimentation has demonstrated the the formation of long collagen fibers through collagen gels between the cancerous mammary acini responsible for milk production, providing a fiber scaffolding along which cancer cells can disorganize. We present a minimal mechanical model that serves as a potential explanation for the formation of these collagen fibers and the resultant motion. Our working hypothesis is that cancerous cells induce this fiber formation by pulling on the gel and taking advantage of the specific mechanical properties of collagen. To model this system, we employ a new Eulerian, fixed grid simulation method to model the collagen as a nonlinear viscoelastic material subject to various forces coupled with a multi-agent model to describe individual cancer cells. We find that these phenomena can be explained two simple ideas: cells pull collagen radially inwards and move towards the tension gradient of the collagen gel, while being exposed to standard adhesive and collision forces.

  7. SEMI-ANALYTIC GALAXY EVOLUTION (SAGE): MODEL CALIBRATION AND BASIC RESULTS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Croton, Darren J.; Stevens, Adam R. H.; Tonini, Chiara

    2016-02-15

    This paper describes a new publicly available codebase for modeling galaxy formation in a cosmological context, the “Semi-Analytic Galaxy Evolution” model, or sage for short.{sup 5} sage is a significant update to the 2006 model of Croton et al. and has been rebuilt to be modular and customizable. The model will run on any N-body simulation whose trees are organized in a supported format and contain a minimum set of basic halo properties. In this work, we present the baryonic prescriptions implemented in sage to describe the formation and evolution of galaxies, and their calibration for three N-body simulations: Millennium,more » Bolshoi, and GiggleZ. Updated physics include the following: gas accretion, ejection due to feedback, and reincorporation via the galactic fountain; a new gas cooling–radio mode active galactic nucleus (AGN) heating cycle; AGN feedback in the quasar mode; a new treatment of gas in satellite galaxies; and galaxy mergers, disruption, and the build-up of intra-cluster stars. Throughout, we show the results of a common default parameterization on each simulation, with a focus on the local galaxy population.« less

  8. Geomechanical Modeling of Deformation Banding in the Navajo Sandstone, San Rafael Monocline, Utah

    NASA Astrophysics Data System (ADS)

    Gutierrez, M.; Sundal, A.; Petrie, E. S.

    2017-12-01

    Deformation bands are ubiquitous geological features in many types of rocks. Depending on their micro-structure, they can act either as conduits or barriers to fluid flow. Given the significant roles deformation bands play in fluid flow and chemical transport in rocks, it is important to develop fundamental understanding of their origin, and their characteristics as they relate with the host rock properties and their depositional and structural-geological history. We present a forward-modeling technique based on the geomechanical Bifurcation Theory (BT) to predict the formation of deformation bands in sandstone. According to BT, the formation of deformation bands is a result of strain location, which in turn stems from instability in the stress-strain response of materials during loading. Due to bifurcation, a material which undergoes homogeneous deformation can reach a point at which the material experiences instability and deformation starts to become non-homogenous. We implemented BT in the commercially-available geomechanical code FLAC (Fast Langragian Analysis of Continua) and applied it in the field-scale modeling of deformation banding in the Navajo Sandstone in the San Rafael Monocline in Utah induced by fault propagation folding. The results show that geomechanical modeling using BT has a powerful potential to simulate the physical processes in the formation of deformation banding in rocks. Predicted deformation bands, specifically the pervasive bedding-parallel bands in the Navajo sandstone formation, normal faulting in the upper limb and reverse faulting in the lower limb, are generally in agreement with field observations. Predictions indicate that the pervasive bedding-parallel bands in the Navajo Sandstone are transitional compaction-shear bands with alternating zones of volumetric compaction and dilation. These predictions are consistent with petrographic analysis of thin sections of rock samples from the Navajo Sandstone. The most important parameter in the geomechanical modeling is the dilation angle in relation to the friction angle of the host rock. These parameters, as well the elastic properties, should evolve during the geologic history of a site, thus, the main challenge in the modeling is how to calibrate these parameters to yield consistent results.

  9. Imprints of dark energy on cosmic structure formation - I. Realistic quintessence models and the non-linear matter power spectrum

    NASA Astrophysics Data System (ADS)

    Alimi, J.-M.; Füzfa, A.; Boucher, V.; Rasera, Y.; Courtin, J.; Corasaniti, P.-S.

    2010-01-01

    Quintessence has been proposed to account for dark energy (DE) in the Universe. This component causes a typical modification of the background cosmic expansion, which, in addition to its clustering properties, can leave a potentially distinctive signature on large-scale structures. Many previous studies have investigated this topic, particularly in relation to the non-linear regime of structure formation. However, no careful pre-selection of viable quintessence models with high precision cosmological data was performed. Here we show that this has led to a misinterpretation (and underestimation) of the imprint of quintessence on the distribution of large-scale structures. To this purpose, we perform a likelihood analysis of the combined Supernova Ia UNION data set and Wilkinson Microwave Anisotropy Probe 5-yr data to identify realistic quintessence models. These are specified by different model parameter values, but still statistically indistinguishable from the vanilla Λ cold dark matter (ΛCDM). Differences are especially manifest in the predicted amplitude and shape of the linear matter power spectrum though these remain within the uncertainties of the Sloan Digital Sky Survey data. We use these models as a benchmark for studying the clustering properties of dark matter haloes by performing a series of high-resolution N-body simulations. In this first paper, we specifically focus on the non-linear matter power spectrum. We find that realistic quintessence models allow for relevant differences of the dark matter distribution with respect to the ΛCDM scenario well into the non-linear regime, with deviations of up to 40 per cent in the non-linear power spectrum. Such differences are shown to depend on the nature of DE, as well as the scale and epoch considered. At small scales (k ~ 1-5hMpc-1, depending on the redshift), the structure formation process is about 20 per cent more efficient than in ΛCDM. We show that these imprints are a specific record of the cosmic structure formation history in DE cosmologies and therefore cannot be accounted for in standard fitting functions of the non-linear matter power spectrum.

  10. Synthesis of GEMS from Shock-accelerated Crystalline Dust in Superbubbles: Model and Predictions

    NASA Technical Reports Server (NTRS)

    Westphal, Andrew J.; Bradley, John P.

    2005-01-01

    GEMS (Glass Embedded with Metals and Sulfides) are highly enigmatic yet common components of anhydrous IDPs. We have recently proposed a model of GEMS formation from shock-accelerated crystalline dust in superbubbles[1] which explains the three most perplexing properties of GEMS: pseudomorphism[2], their chemistry[3], and their size range. In this Abstract, we briefly review the main points of the model, and suggest tests that will either prove or rule out this hypothesis.

  11. Towards the Truly Predictive 3D Modeling of Recrystallization and Grain Growth in Advanced Technical Alloys

    DTIC Science & Technology

    2010-06-11

    MODELING WITH IMPLEMENTED GBI AND MD DATA (STEADY STATE GB MIGRATION) PAGE 48 5. FORMATION AND ANALYSIS OF GB PROPERTIES DATABASE PAGE 53 5.1...Relative GB energy for specified GBM averaged on possible GBIs PAGE 53 5.2. Database validation on available experimental data PAGE 56 5.3. Comparison...PAGE 70 Fig. 6.11. MC Potts Rex. and GG software: (a) modeling volume analysis; (b) searching for GB energy value within included database . PAGE

  12. The role of protein characteristics in the formation and fluorescence of Au nanoclusters

    NASA Astrophysics Data System (ADS)

    Xu, Yaolin; Sherwood, Jennifer; Qin, Ying; Crowley, Dorothy; Bonizzoni, Marco; Bao, Yuping

    2014-01-01

    Protein-encapsulated gold nanoclusters have shown many advantages over other gold nanocluster systems, including green synthesis, biocompatibility, high water solubility, and the ease of further conjugation. In this article, we systematically investigated the effects of the protein size and amino acid content on the formation and fluorescent properties of gold nanoclusters using four model proteins (bovine serum albumin, lysozyme, trypsin, and pepsin). We discovered that the balance of amine and tyrosine/tryptophan containing residues was critical for the nanocluster formation. Protein templates with low cysteine contents caused blue shifts in the fluorescent emissions and difference in fluorescent lifetimes of the gold nanoclusters. Furthermore, the protein size was found to be a critical factor for the photostability and long-term stability of gold nanoclusters. The size of the protein also affected the Au nanocluster behaviour after immobilization.Protein-encapsulated gold nanoclusters have shown many advantages over other gold nanocluster systems, including green synthesis, biocompatibility, high water solubility, and the ease of further conjugation. In this article, we systematically investigated the effects of the protein size and amino acid content on the formation and fluorescent properties of gold nanoclusters using four model proteins (bovine serum albumin, lysozyme, trypsin, and pepsin). We discovered that the balance of amine and tyrosine/tryptophan containing residues was critical for the nanocluster formation. Protein templates with low cysteine contents caused blue shifts in the fluorescent emissions and difference in fluorescent lifetimes of the gold nanoclusters. Furthermore, the protein size was found to be a critical factor for the photostability and long-term stability of gold nanoclusters. The size of the protein also affected the Au nanocluster behaviour after immobilization. Electronic supplementary information (ESI) available See DOI: 10.1039/c3nr06040c

  13. THE EFFECT OF WARM DARK MATTER ON GALAXY PROPERTIES: CONSTRAINTS FROM THE STELLAR MASS FUNCTION AND THE TULLY-FISHER RELATION

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kang, Xi; Maccio, Andrea V.; Dutton, Aaron A.

    2013-04-10

    In this paper, we combine high-resolution N-body simulations with a semi-analytical model of galaxy formation to study the effects of a possible warm dark matter (WDM) component on the observable properties of galaxies. We compare three WDM models with a dark matter (DM) mass of 0.5, 0.75, and 2.0 keV with the standard cold dark matter case. For a fixed set of parameters describing the baryonic physics, the WDM models predict fewer galaxies at low (stellar) masses, as expected due to the suppression of power on small scales, while no substantial difference is found at the high-mass end. However, thesemore » differences in the stellar mass function vanish when a different set of parameters is used to describe the (largely unknown) galaxy formation processes. We show that it is possible to break this degeneracy between DM properties and the parameterization of baryonic physics by combining observations on the stellar mass function with the Tully-Fisher relation (the relation between stellar mass and the rotation velocity at large galactic radii as probed by resolved H I rotation curves). WDM models with a too warm candidate (m{sub {nu}} < 0.75 keV) cannot simultaneously reproduce the stellar mass function and the Tully-Fisher relation. We conclude that accurate measurements of the galaxy stellar mass function and the link between galaxies and DM halos down to the very low mass end can give very tight constraints on the nature of DM candidates.« less

  14. Combining laboratory results, numerical modeling, and in situ measurements to investigate the relative contributions of homogeneous and heterogeneous nucleation to ice formation in the tropical tropopause layer

    NASA Astrophysics Data System (ADS)

    Jensen, E. J.; Karcher, B.; Ueyama, R.; Pfister, L.; Bui, T. V.; Diskin, G. S.; DiGangi, J. P.; Woods, S.; Lawson, P.; Froyd, K. D.; Murphy, D. M.

    2017-12-01

    Laboratory experiments over the past decade have advanced our understanding of the physical state and ice nucleation efficacy of aerosols with atmospherically-relevant compositions at low temperatures. We use these laboratory results along with measurements of upper-tropospheric aerosol composition to develop a parameterization if the ice nuclei number, and activity dependence on ice supersaturation and temperature in the cold tropical tropopause layer (TTL, 13-18 km). We show that leading candidates for aerosol types serving as effective ice nuclei are glassy organic-containing aerosols, crystalline ammonium sulfate, and mineral dust. We apply the low-temperature heterogeneous ice nucleation parameterization in a detailed model of TTL transport and cirrus formation. The model treats heterogeneous ice nucleation and homogeneous freezing of aqueous aerosols, deposition growth and sublimation of ice crystals, and sedimentation of ice crystals. The model is driven by meteorological fields with high-frequency waves superimposed, and simulated cirrus microphysical properties are statistically compared with recent measurements of TTL cirrus microphysical properties and ice supersaturation from recent high-altitude aircraft campaigns. We show that effective ice nuclei concentrations on the order of 50-100/L can dominate over homogeneous freezing production of TTL cirrus ice crystals. Glassy organic-containing aerosols or crystalline ammonium sulfate could conceivably provide more abundant sources of ice nuclei, but the simulations indicate that high concentrations of effective IN would prevent observed occurrence of large supersaturations and high ice concentrations. We will also show the impact of heterogeneous ice nuclei on TTL cirrus microphysical properties and occurrence frequencies.

  15. First-Principles Modeling of Hydrogen Storage in Metal Hydride Systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    J. Karl Johnson

    The objective of this project is to complement experimental efforts of MHoCE partners by using state-of-the-art theory and modeling to study the structure, thermodynamics, and kinetics of hydrogen storage materials. Specific goals include prediction of the heats of formation and other thermodynamic properties of alloys from first principles methods, identification of new alloys that can be tested experimentally, calculation of surface and energetic properties of nanoparticles, and calculation of kinetics involved with hydrogenation and dehydrogenation processes. Discovery of new metal hydrides with enhanced properties compared with existing materials is a critical need for the Metal Hydride Center of Excellence. Newmore » materials discovery can be aided by the use of first principles (ab initio) computational modeling in two ways: (1) The properties, including mechanisms, of existing materials can be better elucidated through a combined modeling/experimental approach. (2) The thermodynamic properties of novel materials that have not been made can, in many cases, be quickly screened with ab initio methods. We have used state-of-the-art computational techniques to explore millions of possible reaction conditions consisting of different element spaces, compositions, and temperatures. We have identified potentially promising single- and multi-step reactions that can be explored experimentally.« less

  16. Investigation of the Dynamics of Magnetic Vortices and Antivortices Using Micromagnetic Simulations

    NASA Astrophysics Data System (ADS)

    Asmat-Uceda, Martin Antonio

    This thesis is focused on investigating the dynamic properties of spin textures in patterned magnetic structures by using micromagnetic simulations. These textures become particularly relevant at sub-micron length scales where the interplay between magnetostatic and exchange energy leads to unique properties that are of great interest both from a fundamental perspective and for the development of new technologies. Two different systems, a magnetic antivortex (AV) stabilized in the intersection of perpendicular microwires, and three interacting vortices in an equilateral arrangement, were considered for this study. For the first system, the AV, the formation process and the excitation spectra were investigated. Since the AV is a metastable state, the design of a host structure capable of stabilizing it requires careful consideration and it is desirable to have general guidelines that could help to optimize the AV formation rate. The role of the shape anisotropy and the field dependence of the AV formation process is discussed in detail. Micromagnetic simulations along with magneto-optical Kerr effect and magnetic force microscopy measurements demonstrated that the asymmetry in the structure can be used to promote the formation of such AV's and that regions with lower shape anisotropy lead the reversal process, while simulations of the dynamic response show that when the system is excited with in-plane and out-of-plane external magnetic fields, normal modes with azimuthal and radial characteristics are found, respectively, in addition to the low frequency gyrotropic mode. The modes are influenced by the spin texture in the intersection, which offers additional possibilities for manipulating spin waves (SW). For the second system, three interacting vortices are simulated and compared with a simple analytical model that considers only dipolar interactions. It was found that when a fitting parameter is introduced to the model, the main features of the simulations are captured better than more complex models, which suggest that this simple framework can be used to accurately model more complex vortex networks.

  17. Scaling the Morphology of Sapping and Pressurized Groundwater Experiments to Martian Valleys

    NASA Astrophysics Data System (ADS)

    Marra, W. A.; Kleinhans, M. G.

    2013-12-01

    Various valleys exist on Mars, which shows the former existence of fluvial activity and thus liquid water at the surface. Although these valleys show similarities with some valleys on Earth, many morphological features are unique for Mars or are very rare on Earth. Therefore, we lack knowledge about the formative processes of these enigmatic valleys. In this study, we explored possible groundwater scenarios for the formation of these valleys using flume experiments, as there are no pure Earth analogues for these systems. We aim to infer their formative processes from morphological properties. A series of flume experiments were carried out in a 4x6x1 m experimental setup, where we observed the valley formation as result from seeping groundwater by both local and distal groundwater sources and by pressurized groundwater release. Time-lapse imagery and DEMs of the experiments show the morphological development, associated processes, and landscape evolution. Indicators of the processes where we particularly looked at were changes in valley slope, cross-sectional shape, the relations between valley dimensions, and regional landscape properties as drainage density and valley size distributions. Hydrological modelling assists in scaling the observed experimental features to real-world systems. Additionally, we looked at valleys on Earth in the Atacama Desert, at Box canyon in Idaho, valleys around Kohala on Hawaii and Apalachicola bluffs in Florida to test the applicability of our methods to real-world systems. In the seeping groundwater valleys, valleys develop due to a combination of mass-wasting failures, mudflows and fluvial flow. The latter two processes are expressed in the final morphology by a break in slope. The mass wasting processes result in U-shaped valleys, which are more pronounced in distal groundwater cases. However, in real-world cases of similar shaped valleys, the cross-sectional shape seems strongly influenced by the strength of the material as well. Groundwater flow piracy of multiple valleys within one system are characterized by equal ratios of width and length development, a property that is absent in case of a local groundwater source which does not induce flow piracy. In case of pressurized groundwater release, the sediment surface in the source area fractured and pits developed due to high groundwater pressure. The resulting valley head consisted of feather-shaped converging flow features. Scaling of the non-fluvial features that relate to groundwater pressure is possible by using hydrological modelling of groundwater pressure and geophysical modelling of the behaviour of the material under such pressures. Our results on sapping valley formation, combined with insights from multiple terrestrial sites of similar valleys contribute to the discussion of some enigmatic valleys on Mars. We provide several quantitative morphological measures, which directly relate to the formative process, which is valuable in linking morphology to the formative process. Our results on pressurized groundwater release prove a long-standing hypothesis on the formation on some of the largest valleys observed in our solar system. In both cases, the insights in the formative processes enable us to quantify the amount of water required for the formation of groundwater-induced Martian valleys.

  18. Modeling the formation and properties of traditional and non-traditional secondary organic aerosol: problem formulation and application to aircraft exhaust

    NASA Astrophysics Data System (ADS)

    Jathar, S. H.; Miracolo, M. A.; Presto, A. A.; Adams, P. J.; Robinson, A. L.

    2012-04-01

    We present a methodology to model secondary organic aerosol (SOA) formation from the photo-oxidation of low-volatility organics (semi-volatile and intermediate volatility organic compounds). The model is parameterized and tested using SOA data collected during two field campaigns that characterized the atmospheric evolution of dilute gas-turbine engine emissions using a smog chamber. Photo-oxidation formed a significant amount of SOA, much of which cannot be explained based on the emissions of traditional, speciated precursors; we refer to this as non-traditional SOA (NT-SOA). The NT-SOA can be explained by emissions of low-volatility organic vapors measured using sorbents. Since these vapors could not be speciated, we employ a volatility-based approach to model NT-SOA formation. We show that the method proposed by Robinson et al. (2007) is unable to explain the timing of NT-SOA formation because it assumes a very modest reduction in volatility of the precursors with every oxidation reaction. In contrast, a Hybrid method, similar to models of traditional SOA formation, assumes a larger reduction in volatility with each oxidation step and results in a better reproduction of NT-SOA formation. The NT-SOA yields estimated for the low-volatility organic vapor emissions are similar to literature data for large n-alkanes and other low-volatility organics. The yields vary with fuel composition (JP8 versus Fischer-Tropsch) and engine load (idle versus non-idle). These differences are consistent with the expected contribution of high (aromatics and n-alkanes) and low (branched alkanes and oxygenated species) SOA forming species to the exhaust.

  19. Modeling of time-lapse multi-scale seismic monitoring of CO2 injected into a fault zone to enhance the characterization of permeability in enhanced geothermal systems

    NASA Astrophysics Data System (ADS)

    Zhang, R.; Borgia, A.; Daley, T. M.; Oldenburg, C. M.; Jung, Y.; Lee, K. J.; Doughty, C.; Altundas, B.; Chugunov, N.; Ramakrishnan, T. S.

    2017-12-01

    Subsurface permeable faults and fracture networks play a critical role for enhanced geothermal systems (EGS) by providing conduits for fluid flow. Characterization of the permeable flow paths before and after stimulation is necessary to evaluate and optimize energy extraction. To provide insight into the feasibility of using CO2 as a contrast agent to enhance fault characterization by seismic methods, we model seismic monitoring of supercritical CO2 (scCO2) injected into a fault. During the CO2 injection, the original brine is replaced by scCO2, which leads to variations in geophysical properties of the formation. To explore the technical feasibility of the approach, we present modeling results for different time-lapse seismic methods including surface seismic, vertical seismic profiling (VSP), and a cross-well survey. We simulate the injection and production of CO2 into a normal fault in a system based on the Brady's geothermal field and model pressure and saturation variations in the fault zone using TOUGH2-ECO2N. The simulation results provide changing fluid properties during the injection, such as saturation and salinity changes, which allow us to estimate corresponding changes in seismic properties of the fault and the formation. We model the response of the system to active seismic monitoring in time-lapse mode using an anisotropic finite difference method with modifications for fracture compliance. Results to date show that even narrow fault and fracture zones filled with CO2 can be better detected using the VSP and cross-well survey geometry, while it would be difficult to image the CO2 plume by using surface seismic methods.

  20. Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS

    NASA Astrophysics Data System (ADS)

    Rudenko, A. N.; Stepanov, E. A.; Lichtenstein, A. I.; Katsnelson, M. I.

    2018-05-01

    Electron correlation effects are studied in ZrSiS using a combination of first-principles and model approaches. We show that basic electronic properties of ZrSiS can be described within a two-dimensional lattice model of two nested square lattices. A high degree of electron-hole symmetry characteristic for ZrSiS is one of the key features of this model. Having determined model parameters from first-principles calculations, we then explicitly take electron-electron interactions into account and show that, at moderately low temperatures, ZrSiS exhibits excitonic instability, leading to the formation of a pseudogap in the electronic spectrum. The results can be understood in terms of Coulomb-interaction-assisted pairing of electrons and holes reminiscent of that of an excitonic insulator. Our finding allows us to provide a physical interpretation of the unusual mass enhancement of charge carriers in ZrSiS recently observed experimentally.

  1. Factors affecting the formation of eutectic solid dispersions and their dissolution behavior.

    PubMed

    Vippagunta, Sudha R; Wang, Zeren; Hornung, Stefanie; Krill, Steven L

    2007-02-01

    The objective of this work was to obtain a fundamental understanding of the factors, specifically the properties of poorly water-soluble drugs and water-soluble carriers, which influence predominantly, the formation of eutectic or monotectic crystalline solid dispersion and their dissolution behavior. A theoretical model was applied on five poorly water-soluble drugs (fenofibrate, flurbiprofen, griseofulvin, naproxen, and ibuprofen) having diverse physicochemical properties and water-soluble carrier (polyethylene glycol (PEG) 8000) for the evaluation of these factors. Of these, two drugs, fenofibrate and flurbiprofen, and PEG of different molecular weights (3350, 8000, and 20000), were chosen as model drugs and carriers for further investigation. Experimental phase diagrams were constructed and dissolution testing was performed to assess the performance of the systems. The theoretical model predicted the formation of eutectic or monotectic solid dispersions of fenofibrate, griseofulvin, ibuprofen, and naproxen with PEG, holding the contribution of specific intermolecular interactions between compound and carrier to zero. In the case of the flurbiprofen-PEG eutectic system, intermolecular interactions between drug and polymer needed to be taken into consideration to predict the experimental phase diagram. The results of the current work suggest that the thermodynamic function of melting point and heat of fusion (as a measure of crystal energy of drug) plays a significant role in the formation of a eutectic system. Lipophilicity of the compound (as represented by cLog P) was also demonstrated to have an effect. Specific interactions between drug and carrier play a significant role in influencing the eutectic composition. Molar volume of the drug did not seem to have an impact on eutectic formation. The polymer molecular weight appeared to have an impact on the eutectic composition for flurbiprofen, which exhibits specific interactions with PEG, whereas no such impact of polymer molecular weight on eutectic composition was observed for fenofibrate, which does not exhibit specific interactions with PEG. The impact of polymer molecular weight on dissolution of systems where specific drug-polymer interactions are exhibited was also observed. The current work provides valuable insight into factors affecting formation and dissolution of eutectic systems, which can facilitate the rational selection of suitable water-soluble carriers. Copyright (c) 2006 Wiley-Liss, Inc.

  2. Discrete model of the olivo-cerebellar system: structure and dynamics

    NASA Astrophysics Data System (ADS)

    Maslennikov, O. V.; Nekorkin, V. I.

    2012-08-01

    We propose a discrete model of the olivo-cerebellar system. The model consists of three layers of interacting elements, namely, inferior olive neurons, Purkinje cells, and deep cerebellar nuclear neurons combined into a structure by axonal connections. Each element of the structure is described by a two-dimensional map with an individual set of parameters for each type of neurons. Dynamic properties of different types of neurons are described and spontaneous and stimulusinduced dynamics of the system is explored. Unlike the previously proposed models, this study takes into account the axonal interaction of neurons of different layers, as well as the interaction of the inferior olive neurons through electrical synapses with the property of plasticity. It is shown that the inclusion of these factors plays a significant role in the formation of spatio-temporal activity of the inferior olive neurons.

  3. Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method.

    PubMed

    Leyde, Brian P; Klein, Sanford A; Nellis, Gregory F; Skye, Harrison

    2017-03-01

    This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model.

  4. Altered basaltic glass - A terrestrial analog to the soil of Mars

    NASA Technical Reports Server (NTRS)

    Allen, C. C.; Jercinovic, M.; Keil, K.; Gooding, J. L.

    1981-01-01

    In order to understand the nature of weathering processes and the formation of clay-like substances on Mars, analogous terrestrial processes and materials have been examined including sideromelane and palagonite. It is shown that palagonite is a good analog to the soil of Mars to the level of precision available from Viking and ground-based telescopic spectral measurements. Points of resemblance between the two materials include bulk chemical composition, particle size, reflectance spectra, and magnetic properties. A mechanism for the formation of Martian soil, based on a palagonite model, is proposed.

  5. Coronal Magnetism and Forward Solarsoft Idl Package

    NASA Astrophysics Data System (ADS)

    Gibson, S. E.

    2014-12-01

    The FORWARD suite of Solar Soft IDL codes is a community resource for model-data comparison, with a particular emphasis on analyzing coronal magnetic fields. FORWARD may be used both to synthesize a broad range of coronal observables, and to access and compare to existing data. FORWARD works with numerical model datacubes, interfaces with the web-served Predictive Science Inc MAS simulation datacubes and the Solar Soft IDL Potential Field Source Surface (PFSS) package, and also includes several analytic models (more can be added). It connects to the Virtual Solar Observatory and other web-served observations to download data in a format directly comparable to model predictions. It utilizes the CHIANTI database in modeling UV/EUV lines, and links to the CLE polarimetry synthesis code for forbidden coronal lines. FORWARD enables "forward-fitting" of specific observations, and helps to build intuition into how the physical properties of coronal magnetic structures translate to observable properties.

  6. Modelling high-resolution ALMA observations of strongly lensed highly star-forming galaxies detected by Herschel

    NASA Astrophysics Data System (ADS)

    Dye, S.; Furlanetto, C.; Dunne, L.; Eales, S. A.; Negrello, M.; Nayyeri, H.; van der Werf, P. P.; Serjeant, S.; Farrah, D.; Michałowski, M. J.; Baes, M.; Marchetti, L.; Cooray, A.; Riechers, D. A.; Amvrosiadis, A.

    2018-06-01

    We have modelled ˜0.1 arcsec resolution Atacama Large Millimetre/submillimeter Array imaging of six strong gravitationally lensed galaxies detected by the Herschel Space Observatory. Our modelling recovers mass properties of the lensing galaxies and, by determining magnification factors, intrinsic properties of the lensed submillimetre sources. We find that the lensed galaxies all have high ratios of star formation rate to dust mass, consistent with or higher than the mean ratio for high-redshift submillimetre galaxies and low-redshift ultra-luminous infrared galaxies. Source reconstruction reveals that most galaxies exhibit disturbed morphologies. Both the cleaned image plane data and the directly observed interferometric visibilities have been modelled, enabling comparison of both approaches. In the majority of cases, the recovered lens models are consistent between methods, all six having mass density profiles that are close to isothermal. However, one system with poor signal to noise shows mildly significant differences.

  7. Flat (0 0 1) surfaces of II-VI semiconductors: a lattice gas model

    NASA Astrophysics Data System (ADS)

    Ahr, Martin; Biehl, Michael

    2002-05-01

    We present a two-dimensional lattice gas with anisotropic interactions which model the known properties of the surface reconstructions of CdTe and ZnSe. In contrast to an earlier publication [M. Biehl, M. Ahr, W. Kinzel, M. Sokolowski, T. Volkmann, Europhys. Lett. 53 (2001) 169] the formation of anion dimers is considered. This alters the behaviour of the model considerably. We determine the phase diagram of this model by means of transfer matrix calculations and Monte Carlo simulations. We find qualitative agreement with the results of various experimental investigations.

  8. The history of the dark and luminous side of Milky Way-like progenitors

    NASA Astrophysics Data System (ADS)

    Graziani, L.; de Bennassuti, M.; Schneider, R.; Kawata, D.; Salvadori, S.

    2017-07-01

    Here we investigate the evolution of a Milky Way (MW)-like galaxy with the aim of predicting the properties of its progenitors all the way from z ∼ 20 to z = 0. We apply gamesh to a high-resolution N-body simulation following the formation of a MW-type halo and we investigate its properties at z ∼ 0 and its progenitors in 0 < z < 4. Our model predicts the observed galaxy main sequence, the mass-metallicity and the Fundamental Plane of metallicity relations in 0 < z < 4. It also reproduces the stellar mass evolution of candidate MW progenitors in 0 ≲ z ≲ 2.5, although the star formation rate and gas fraction of the simulated galaxies follow a shallower redshift dependence. We find that while the MW star formation and chemical enrichment are dominated by the contribution of galaxies hosted in Lyman α cooling haloes, at z > 6 the contribution of star-forming minihaloes is comparable to the star formation rate along the MW merger tree. These systems might then provide an important contribution in the early phases of reionization. A large number of minihaloes with old stellar populations, possibly Population III stars, are dragged into the MW or survive in the Local Group. At low redshift dynamical effects, such as halo mergers, tidal stripping and halo disruption redistribute the baryonic properties among halo families. These results are critically discussed in light of future improvements including a more sophisticated treatment of radiative feedback and inhomogeneous metal enrichment.

  9. Formate binding near the redox-active tyrosineD in photosystem II: consequences on the properties of tyrD.

    PubMed

    Hienerwadel, Rainer; Gourion-Arsiquaud, Samuel; Ballottari, Matteo; Bassi, Roberto; Diner, Bruce A; Berthomieu, Catherine

    2005-06-01

    Formate and phosphate affect substantially the rate of tyrosine D (TyrD) oxidation and the stability of the radical TyrD* in Photosystem II [Hienerwadel R, Boussac A, Breton J and Berthomieu C (1996) Biochemistry 35: 15447-15460]. This observation prompted us to analyze the influence of formate and phosphate on the environment of TyrD using FTIR spectroscopy. The nu (CO) IR mode of TyrD* at 1503 cm-1 remains unchanged whatever the buffer used at pH 6 and whether formate is present or not in the sample. Similarly, the main IR mode of reduced TyrD remains at approximately 1250 cm-1 in all tested conditions. We thus conclude that formate does not modify the hydrogen-bonded interactions of TyrD and TyrD* with neighbouring D2His189 and D2Gln164. In the TyrD-state, an IR mode of formate significantly different from that observed in solution, is detected using 13C-formate, showing that formate forms a strong electrostatic interaction within PS II. The presence of formate affects also IR bands that may be assigned to an arginine side chain. Upon TyrD* formation, formate does not protonate but its binding interaction weakens. A proton uptake by Mes or phosphate buffer is detected, which is not observed when BisTris is used as a buffer. In these latter conditions, IR bands characteristic of the protonation of a carboxylate group of the protein are detected instead. The present IR data and the recent structural model of the TyrD environment proposed by Ferreira KN, Iverson TM, Maghlaoui K, Barber J and Iwata S [(2004) Science 303: 1831-1838], suggest that the proton released upon TyrD* formation is shared within a hydrogen bonding network including D2Arg294, and CP47Glu364 and that perturbation of this network by formate - possibly binding near D2Arg294 - substantially affects the properties of TyrD.

  10. Reflectance and fluorescence spectroscopies in photodynamic therapy

    NASA Astrophysics Data System (ADS)

    Finlay, Jarod C.

    In vivo fluorescence spectroscopy during photodynamic therapy (PDT) has the potential to provide information on the distribution and degradation of sensitizers, the formation of fluorescent photoproducts and changes in tissue autofluorescence induced by photodynamic treatment. Reflectance spectroscopy allows quantification of light absorption and scattering in tissue. We present the results of several related studies of fluorescence and reflectance spectroscopy and their applications to photodynamic dosimetry. First, we develop and test an empirical method for the correction of the distortions imposed on fluorescence spectra by absorption and scattering in turbid media. We characterize the irradiance dependence of the in vivo photobleaching of three sensitizers, protoporphyrin IX (PpIX), Photofrin and mTHPC, in a rat skin model. The photobleaching and photoproduct formation of PpIX exhibit irradiance dependence consistent with singlet oxygen (1O2)-mediated bleaching. The bleaching of mTHPC occurs in two phases, only one of which is consistent with a 1O 2-mediated mechanism. Photofrin's bleaching is independent of irradiance, although its photoproduct formation is not. This can be explained by a mixed-mechanism bleaching model. Second, we develop an algorithm for the determination of tissue optical properties using diffuse reflectance spectra measured at a single source-detector separation and demonstrate the recovery of the hemoglobin oxygen dissociation curve from tissue-simulating phantoms containing human erythrocytes. This method is then used to investigate the heterogeneity of oxygenation response in murine tumors induced by carbogen inhalation. We find that while the response varies among animals and within each tumor, the majority of tumors exhibit an increase in blood oxygenation during carbogen breathing. We present a forward-adjoint model of fluorescence propagation that uses the optical property information acquired from reflectance spectroscopy to obtain the undistorted fluorescence spectrum over a wide range of optical properties. Finally, we investigate the ability of the forward-adjoint theory to extract undistorted fluorescence and optical property information simultaneously from a single measured fluorescence spectrum. This method can recover the hemoglobin oxygen dissociation curve in tissue-simulating phantoms with an accuracy comparable to that of reflectance-based methods while correcting distortions in the fluorescence over a wide range of absorption and scattering coefficients.

  11. A discontinuous finite element approach to cracking in coupled poro-elastic fluid flow models

    NASA Astrophysics Data System (ADS)

    Wilson, C. R.; Spiegelman, M. W.; Evans, O.; Ulven, O. I.; Sun, W.

    2016-12-01

    Reaction-driven cracking is a coupled process whereby fluid-induced reactions drive large volume changes in the host rock which produce stresses leading to crack propagation and failure. This in turn generates new surface area and fluid-flow pathways for subsequent reaction in a potentially self-sustaining system. This mechanism has has been proposed for the pervasive serpentinization and carbonation of peridotite, as well as applications to mineral carbon sequestration and hydrocarbon extraction. The key computational issue in this problem is implementing algorithms that adequately model the formation of discrete fractures. Here we present models using a discontinuous finite element method for modeling fracture formation (Radovitsky et al., 2011). Cracks are introduced along facets of the mesh by the relaxation of penalty parameters once a failure criterion is met. It is fully described in the weak form of the equations, requiring no modification of the underlying mesh structure and allowing fluid properties to be easily adjusted along cracked facets. To develop and test the method, we start by implementing the algorithm for the simplified Biot equations for poro-elasticity using the finite element model assembler TerraFERMA. We consider hydro-fracking around a borehole (Grassl et al., 2015), where elevated fluid pressure in the poro-elastic solid causes it to fail radially in tension. We investigate the effects of varying the Biot coefficient and adjusting the fluid transport properties in the vicinity of the crack and compare our results to related dual-graph models (Ulven & Sun, submitted). We discuss issues arising from this method, including the formation of null spaces and appropriate preconditioning and solution strategies. Initial results suggest that this method provides a promising way to incorporate cracking into our reactive fluid flow models and future work aims to integrate the mechanical and chemical aspects of this process.

  12. 3D view on Virgo and field dwarf elliptical galaxies: late-type origin and environmental transformations

    NASA Astrophysics Data System (ADS)

    Ryś, Agnieszka; Falcón-Barroso, Jesús; van de Ven, Glenn

    2015-03-01

    In our contribution we show the effects of environmental evolution on cluster and field dwarf elliptical galaxies (dEs), presenting the first large-scale integral-field spectroscopic data for this galaxy class. Our sample con sists of 12 galaxies and no two of them are alike. We find that the level of rotation is not tied to flattening; we observe kinematic twists; we discover large-scale kinematically-decoupled components; we see varying gradient s in line-strength maps: from nearly flat to strongly peaked in the center. The great variety of morphological, kinematic, and stellar population parameters seen in our data supports the claim that dEs are defunct dwarf spiral/irregular galaxies and points to a formation scenario that allows for a stochastic shaping of galaxy properties. The combined influence of ram-pressure stripping and harassment fulfills these requirements, still, the exact impact of the two is not yet understood. We further investigate the properties of our sample by performing a detailed comprehensive analysis of its kinematic, dynamical, and stellar population parameters. The combined knowledge of the dynamical properties and star-formation histories, together with model predictions for different formation mechanisms, will be used to quant itatively determine the actual transformation paths for these galaxies.

  13. Measurement Properties of Two Innovative Item Formats in a Computer-Based Test

    ERIC Educational Resources Information Center

    Wan, Lei; Henly, George A.

    2012-01-01

    Many innovative item formats have been proposed over the past decade, but little empirical research has been conducted on their measurement properties. This study examines the reliability, efficiency, and construct validity of two innovative item formats--the figural response (FR) and constructed response (CR) formats used in a K-12 computerized…

  14. Evaluation of Lithofacies Up-Scaling Methods for Probabilistic Prediction of Carbon Dioxide Behavior

    NASA Astrophysics Data System (ADS)

    Park, J. Y.; Lee, S.; Lee, Y. I.; Kihm, J. H.; Kim, J. M.

    2017-12-01

    Behavior of carbon dioxide injected into target reservoir (storage) formations is highly dependent on heterogeneities of geologic lithofacies and properties. These heterogeneous lithofacies and properties basically have probabilistic characteristics. Thus, their probabilistic evaluation has to be implemented properly into predicting behavior of injected carbon dioxide in heterogeneous storage formations. In this study, a series of three-dimensional geologic modeling is performed first using SKUA-GOCAD (ASGA and Paradigm) to establish lithofacies models of the Janggi Conglomerate in the Janggi Basin, Korea within a modeling domain. The Janggi Conglomerate is composed of mudstone, sandstone, and conglomerate, and it has been identified as a potential reservoir rock (clastic saline formation) for geologic carbon dioxide storage. Its lithofacies information are obtained from four boreholes and used in lithofacies modeling. Three different up-scaling methods (i.e., nearest to cell center, largest proportion, and random) are applied, and lithofacies modeling is performed 100 times for each up-scaling method. The lithofacies models are then compared and analyzed with the borehole data to evaluate the relative suitability of the three up-scaling methods. Finally, the lithofacies models are converted into coarser lithofacies models within the same modeling domain with larger grid blocks using the three up-scaling methods, and a series of multiphase thermo-hydrological numerical simulation is performed using TOUGH2-MP (Zhang et al., 2008) to predict probabilistically behavior of injected carbon dioxide. The coarser lithofacies models are also compared and analyzed with the borehole data and finer lithofacies models to evaluate the relative suitability of the three up-scaling methods. Three-dimensional geologic modeling, up-scaling, and multiphase thermo-hydrological numerical simulation as linked methodologies presented in this study can be utilized as a practical probabilistic evaluation tool to predict behavior of injected carbon dioxide and even to analyze its leakage risk. This work was supported by the Korea CCS 2020 Project of the Korea Carbon Capture and Sequestration R&D Center (KCRC) funded by the National Research Foundation (NRF), Ministry of Science and ICT (MSIT), Korea.

  15. Planet Formation

    NASA Astrophysics Data System (ADS)

    Klahr, Hubert; Brandner, Wolfgang

    2011-02-01

    1. Historical notes on planet formation Bodenheimer; 2. The formation and evolution of planetary systems Bouwman et al.; 3. Destruction of protoplanetary disks by photoevaporation Richling, Hollenbach and Yorke; 4. Turbulence in protoplanetary accretion disks Klahr, Rozyczka, Dziourkevitch, Wunsch and Johansen; 5. The origin of solids in the early solar system Trieloff and Palme; 6. Experiments on planetesimal formation Wurm and Blum; 7. Dust coagulation in protoplanetary disks Henning, Dullemond, Wolf and Dominik; 8. The accretion of giant planet cores Thommes and Duncan; 9. Planetary transits: direct vision of extrasolar planets Lecavelier des Etangs and Vidal-Madjar; 10. The core accretion - gas capture model Hubickyj; 11. Properties of exoplanets Marcy, Fischer, Butler and Vogt; 12. Giant planet formation: theories meet observations Boss; 13. From hot Jupiters to hot Neptures … and below Lovis, Mayor and Udry; 14. Disk-planet interaction and migration Masset and Kley; 15. The Brown Dwarf - planet relation Bate; 16. From astronomy to astrobiology Brandner; 17. Overview and prospective Lin.

  16. Pharmacological studies on Buchanania lanzan Spreng.-A focus on wound healing with particular reference to anti-biofilm properties

    PubMed Central

    Pattnaik, Ashok; Sarkar, Ratul; Sharma, Amrita; Yadav, Kirendra Kumar; Kumar, Alekh; Roy, Paramita; Mazumder, Avijit; Karmakar, Sanmoy; Sen, Tuhinadri

    2013-01-01

    Objective To evaluate the wound healing activity of the methanolic root extract of Buchanania lanzan Spreng. (B. lanzan), with a focus on antimicrobial and anti-biofilm properties. Methods The extract was evaluated for its wound healing properties (excision and incision models) as evident from the analysis of tensile strength and wound contraction. The extract was also screened for antibacterial properties against different Gram positive and Gram negative bacterial strains. B. lanzan was also studied for its effect on biofilm formation and disruption of preformed biofilms. The synergistic effect of B. lanzan was determined in combination with gentamicin. Results Topical application of B. lanzan (10% w/w ointment) significantly increased (40.84%) the tensile strength in the incision wound model. B. lanzan also showed significant wound healing activity in excision model and such significant activity was observed from the 9th day. Whereas Soframycin displayed significant wound healing activity from the 6th day. It was found that root extracts of B. lanzan revealed significant inhibition against all tested pathogens. B. lanzan displayed antimicrobial activity against Gram positive (MIC 0.625 mg/mL) and Gram negative (MIC 0.625–1.25 mg/mL). B. lanzan was able to reduce biofilm formation and also caused disruption of preformed biofilms in a manner similar to ciprofloxacin. However, gentamicin was found to be ineffective against biofilms formed by Gram negative organism. According to the fractional inhibitory concentration index, B. lanzan displayed synergistic activity when it was combined with gentamicin. Conclusions From this study it may be concluded that the root extract of B. lanzan revealed significant wound healing potential, which was supported and well correlated with pronounced antibacterial activity of the tested plant parts. PMID:24093788

  17. The interstellar medium and star formation of galactic disks. I. Interstellar medium and giant molecular cloud properties with diffuse far-ultraviolet and cosmic-ray backgrounds

    NASA Astrophysics Data System (ADS)

    Li, Qi; Tan, Jonathan C.; Christie, Duncan; Bisbas, Thomas G.; Wu, Benjamin

    2018-05-01

    We present a series of adaptive mesh refinement hydrodynamic simulations of flat rotation curve galactic gas disks, with a detailed treatment of the interstellar medium (ISM) physics of the atomic to molecular phase transition under the influence of diffuse far-ultraviolet (FUV) radiation fields and cosmic-ray backgrounds. We explore the effects of different FUV intensities, including a model with a radial gradient designed to mimic the Milky Way. The effects of cosmic rays, including radial gradients in their heating and ionization rates, are also explored. The final simulations in this series achieve 4 pc resolution across the ˜20 kpc global disk diameter, with heating and cooling followed down to temperatures of ˜10 K. The disks are evolved for 300 Myr, which is enough time for the ISM to achieve a quasi-statistical equilibrium. In particular, the mass fraction of molecular gas is stabilized by ˜200 Myr. Additional global ISM properties are analyzed. Giant molecular clouds (GMCs) are also identified and the statistical properties of their populations are examined. GMCs are tracked as the disks evolve. GMC collisions, which may be a means of triggering star cluster formation, are counted and their rates are compared with analytic models. Relatively frequent GMC collision rates are seen in these simulations, and their implications for understanding GMC properties, including the driving of internal turbulence, are discussed.

  18. Hole pairing and thermodynamic properties of the two dimensional frustrated t-J model

    NASA Astrophysics Data System (ADS)

    Roy, K.; Pal, P.; Nath, S.; Ghosh, N. K.

    2018-04-01

    The frustrated t-J model is investigated by using the exact-diagonalization (ED) method on an 8-site cluster. The effect on next-nearest-neighbor (NNN) exchange interaction J' (frustration) on the hole pairing and the thermodynamic properties of the system is considered. Two holes initially remain unbound at smaller value of J'/t, but tend to bind at larger value. The maximum possibility of pair formation has been observed to be at NNN sites. Entropy calculation shows that the system goes to more disordered state with J'. The specific heat curves show a single peak structure. A decrease in effective exchange energy is observed due to the frustration.

  19. Models of the Earth's Core.

    PubMed

    Stevenson, D J

    1981-11-06

    Combined inferences from seismology, high-pressure experiment and theory, geomagnetism, fluid dynamics, and current views of terrestrial planetary evolution lead to models of the earth's core with the following properties. Core formation was contemporaneous with earth accretion; the core is not in chemical equilibrium with the mantle; the outer core is a fluid iron alloy containing significant quantities of lighter elements and is probably almost adiabatic and compositionally uniform; the more iron-rich inner solid core is a consequence of partial freezing of the outer core, and the energy release from this process sustains the earth's magnetic field; and the thermodynamic properties of the core are well constrained by the application of liquid-state theory to seismic and laboratory data.

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Castro, Ricardo

    The report describes in details the achievements of the project addressing the performance of nanomaterials in radioactive environments. The project addresses the fundamentals of the role of interface features on the defect dynamics during irradiation and present models to predict behavior based on thermodynamic properties. Papers and products, including formation of students in this strategic area, are presented in details as well.

  1. Social adaptation in multi-agent model of linguistic categorization is affected by network information flow.

    PubMed

    Zubek, Julian; Denkiewicz, Michał; Barański, Juliusz; Wróblewski, Przemysław; Rączaszek-Leonardi, Joanna; Plewczynski, Dariusz

    2017-01-01

    This paper explores how information flow properties of a network affect the formation of categories shared between individuals, who are communicating through that network. Our work is based on the established multi-agent model of the emergence of linguistic categories grounded in external environment. We study how network information propagation efficiency and the direction of information flow affect categorization by performing simulations with idealized network topologies optimizing certain network centrality measures. We measure dynamic social adaptation when either network topology or environment is subject to change during the experiment, and the system has to adapt to new conditions. We find that both decentralized network topology efficient in information propagation and the presence of central authority (information flow from the center to peripheries) are beneficial for the formation of global agreement between agents. Systems with central authority cope well with network topology change, but are less robust in the case of environment change. These findings help to understand which network properties affect processes of social adaptation. They are important to inform the debate on the advantages and disadvantages of centralized systems.

  2. Social adaptation in multi-agent model of linguistic categorization is affected by network information flow

    PubMed Central

    Denkiewicz, Michał; Barański, Juliusz; Wróblewski, Przemysław; Rączaszek-Leonardi, Joanna; Plewczynski, Dariusz

    2017-01-01

    This paper explores how information flow properties of a network affect the formation of categories shared between individuals, who are communicating through that network. Our work is based on the established multi-agent model of the emergence of linguistic categories grounded in external environment. We study how network information propagation efficiency and the direction of information flow affect categorization by performing simulations with idealized network topologies optimizing certain network centrality measures. We measure dynamic social adaptation when either network topology or environment is subject to change during the experiment, and the system has to adapt to new conditions. We find that both decentralized network topology efficient in information propagation and the presence of central authority (information flow from the center to peripheries) are beneficial for the formation of global agreement between agents. Systems with central authority cope well with network topology change, but are less robust in the case of environment change. These findings help to understand which network properties affect processes of social adaptation. They are important to inform the debate on the advantages and disadvantages of centralized systems. PMID:28809957

  3. THE TYPE Ia SUPERNOVA RATE IN RADIO AND INFRARED GALAXIES FROM THE CANADA-FRANCE-HAWAII TELESCOPE SUPERNOVA LEGACY SURVEY

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Graham, M. L.; Pritchet, C. J.; Balam, D.

    2010-02-15

    We have combined the large SN Ia database of the Canada-France-Hawaii Telescope Supernova Legacy Survey and catalogs of galaxies with photometric redshifts, Very Large Array 1.4 GHz radio sources, and Spitzer infrared sources. We present eight SNe Ia in early-type host galaxies which have counterparts in the radio and infrared source catalogs. We find the SN Ia rate in subsets of radio and infrared early-type galaxies is {approx}1-5 times the rate in all early-type galaxies, and that any enhancement is always {approx}<2{sigma}. Rates in these subsets are consistent with predictions of the two-component 'A+B' SN Ia rate model. Since infraredmore » properties of radio SN Ia hosts indicate dust-obscured star formation, we incorporate infrared star formation rates into the 'A+B' model. We also show the properties of SNe Ia in radio and infrared galaxies suggest the hosts contain dust and support a continuum of delay time distributions (DTDs) for SNe Ia, although other DTDs cannot be ruled out based on our data.« less

  4. Metallicity Distribution of Disk Stars and the Formation History of the Milky Way

    NASA Astrophysics Data System (ADS)

    Toyouchi, Daisuke; Chiba, Masashi

    2018-03-01

    We investigate the formation history of the stellar disk component in the Milky Way (MW) based on our new chemical evolution model. Our model considers several fundamental baryonic processes, including gas infall, reaccretion of outflowing gas, and radial migration of disk stars. Each of these baryonic processes in the disk evolution is characterized by model parameters that are determined by fitting to various observational data of the stellar disk in the MW, including the radial dependence of the metallicity distribution function (MDF) of the disk stars, which has recently been derived in the APOGEE survey. We succeeded to obtain the best set of model parameters that well reproduces the observed radial dependences of the mean, standard deviation, skewness, and kurtosis of the MDFs for the disk stars. We analyze the basic properties of our model results in detail to gain new insights into the important baryonic processes in the formation history of the MW. One of the remarkable findings is that outflowing gas, containing many heavy elements, preferentially reaccretes onto the outer disk parts, and this recycling process of metal-enriched gas is a key ingredient for reproducing the observed narrower MDFs at larger radii. Moreover, important implications for the radial dependence of gas infall and the influence of radial migration on the MDFs are also inferred from our model calculation. Thus, the MDF of disk stars is a useful clue for studying the formation history of the MW.

  5. Predictions from star formation in the multiverse

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bousso, Raphael; Leichenauer, Stefan

    2010-03-15

    We compute trivariate probability distributions in the landscape, scanning simultaneously over the cosmological constant, the primordial density contrast, and spatial curvature. We consider two different measures for regulating the divergences of eternal inflation, and three different models for observers. In one model, observers are assumed to arise in proportion to the entropy produced by stars; in the others, they arise at a fixed time (5 or 10x10{sup 9} years) after star formation. The star formation rate, which underlies all our observer models, depends sensitively on the three scanning parameters. We employ a recently developed model of star formation in themore » multiverse, a considerable refinement over previous treatments of the astrophysical and cosmological properties of different pocket universes. For each combination of observer model and measure, we display all single and bivariate probability distributions, both with the remaining parameter(s) held fixed and marginalized. Our results depend only weakly on the observer model but more strongly on the measure. Using the causal diamond measure, the observed parameter values (or bounds) lie within the central 2{sigma} of nearly all probability distributions we compute, and always within 3{sigma}. This success is encouraging and rather nontrivial, considering the large size and dimension of the parameter space. The causal patch measure gives similar results as long as curvature is negligible. If curvature dominates, the causal patch leads to a novel runaway: it prefers a negative value of the cosmological constant, with the smallest magnitude available in the landscape.« less

  6. Charged particle measurements on a 30-CM diameter mercury ion engine thrust beam

    NASA Technical Reports Server (NTRS)

    Sellen, J. M., Jr.; Komatsu, G. K.; Hoffmaster, D. K.; Kemp, R. F.

    1974-01-01

    Measurements of both thrust ions and charge exchange ions were made in the beam of a 30 centimeter diameter electron bombardment mercury ion thruster. A qualitative model is presented which describes magnitudes of charge exchange ion formation and motions of these ions in the weak electric field structure of the neutralized thrust beam plasma. Areas of agreement and discrepancy between observed and modeled charge exchange properties are discussed.

  7. Stress field sensitivity analysis within Mesozoic successions in the Swiss Alpine foreland using 3-D-geomechanical-numerical models

    NASA Astrophysics Data System (ADS)

    Reiter, Karsten; Hergert, Tobias; Heidbach, Oliver

    2016-04-01

    The in situ stress conditions are of key importance for the evaluation of radioactive waste repositories. In stage two of the Swiss site selection program, the three siting areas of high-level radioactive waste are located in the Alpine foreland in northern Switzerland. The sedimentary succession overlays the basement, consisting of variscan crystalline rocks as well as partly preserved Permo-Carboniferous deposits in graben structures. The Mesozoic sequence represents nearly the complete era and is covered by Cenozoic Molasse deposits as well as Quaternary sediments, mainly in the valleys. The target horizon (designated host rock) is an >100 m thick argillaceous Jurassic deposit (Opalinus Clay). To enlighten the impact of site-specific features on the state of stress within the sedimentary succession, 3-D-geomechanical-numerical models with elasto-plastic rock properties are set up for three potential siting areas. The lateral extent of the models ranges between 12 and 20 km, the vertical extent is up to a depth of 2.5 or 5 km below sea level. The sedimentary sequence plus the basement are separated into 10 to 14 rock mechanical units. The Mesozoic succession is intersected by regional fault zones; two or three of them are present in each model. The numerical problem is solved with the finite element method with a resolution of 100-150 m laterally and 10-30 m vertically. An initial stress state is established for all models taking into account the depth-dependent overconsolidation ratio in Opalinus Clay in northern Switzerland. The influence of topography, rock properties, friction on the faults as well as the impact of tectonic shortening on the state of stress is investigated. The tectonic stress is implemented with lateral displacement boundary conditions, calibrated on stress data that are compiled in Northern Switzerland. The model results indicate that the stress perturbation by the topography is significant to depths greater than the relief contrast. The impact of fault geometry and frictional properties is observed within a distance of <1 km. The major impact on the stress state is caused by the variability of the geomechanical stratigraphy. The stress anisotropy increases when tectonic shortening is applied to the models. Stress magnitudes and anisotropy are largest within the stiff formations such as limestone. These stiff formations carry the load due to far field tectonic forces, whereas weak formations, like the argillaceous target horizon for the waste disposal, exhibits smaller stress magnitudes. Using the fracture potential as a more unambiguous indicator, the stiff overburden rocks are closer to failure than the target horizon for the repository, whereas stiff formations below the target rocks are far from failure.

  8. Intrinsic Membrane Properties of Pre-oromotor Neurons in the Intermediate Zone of the Medullary Reticular Formation

    PubMed Central

    Venugopal, Sharmila; Boulant, Jack A.; Chen, Zhixiong; Travers, Joseph B.

    2010-01-01

    Neurons in the lower brainstem that control consummatory behavior are widely distributed in the reticular formation (RF) of the pons and medulla. The intrinsic membrane properties of neurons within this distributed system shape complex excitatory and inhibitory inputs from both orosensory and central structures implicated in homeostatic control to produce coordinated oromotor patterns. The current study explored the intrinsic membrane properties of neurons in the intermediate subdivision of the medullary reticular formation (IRt). Neurons in the IRt receive input from the overlying (gustatory) nucleus of the solitary tract and project to the oromotor nuclei. Recent behavioral pharmacology studies as well as computational modeling suggest that inhibition in the IRt plays an important role in the transition from a taste-initiated oromotor pattern of ingestion to one of rejection. The present study explored the impact of hyperpolarization on membrane properties. In response to depolarization, neurons responded with either a tonic discharge, an irregular/burst pattern or were spike-adaptive. A hyperpolarizing pre-pulse modulated the excitability of most (82%) IRt neurons to subsequent depolarization. Instances of both increased (30%) and decreased (52%) excitability were observed. Currents induced by the hyperpolarization included an outward 4-AP sensitive K+ current that suppressed excitability and an inward cation current that increased excitability. These currents are also present in other subpopulations of RF neurons that influence the oromotor nuclei and we discuss how these currents could alter ring characteristics to impact pattern generation. PMID:20338224

  9. Representing environment-induced helix-coil transitions in a coarse grained peptide model

    NASA Astrophysics Data System (ADS)

    Dalgicdir, Cahit; Globisch, Christoph; Sayar, Mehmet; Peter, Christine

    2016-10-01

    Coarse grained (CG) models are widely used in studying peptide self-assembly and nanostructure formation. One of the recurrent challenges in CG modeling is the problem of limited transferability, for example to different thermodynamic state points and system compositions. Understanding transferability is generally a prerequisite to knowing for which problems a model can be reliably used and predictive. For peptides, one crucial transferability question is whether a model reproduces the molecule's conformational response to a change in its molecular environment. This is of particular importance since CG peptide models often have to resort to auxiliary interactions that aid secondary structure formation. Such interactions take care of properties of the real system that are per se lost in the coarse graining process such as dihedral-angle correlations along the backbone or backbone hydrogen bonding. These auxiliary interactions may then easily overstabilize certain conformational propensities and therefore destroy the ability of the model to respond to stimuli and environment changes, i.e. they impede transferability. In the present paper we have investigated a short peptide with amphiphilic EALA repeats which undergoes conformational transitions between a disordered and a helical state upon a change in pH value or due to the presence of a soft apolar/polar interface. We designed a base CG peptide model that does not carry a specific (backbone) bias towards a secondary structure. This base model was combined with two typical approaches of ensuring secondary structure formation, namely a C α -C α -C α -C α pseudodihedral angle potential or a virtual site interaction that mimics hydrogen bonding. We have investigated the ability of the two resulting CG models to represent the environment-induced conformational changes in the helix-coil equilibrium of EALA. We show that with both approaches a CG peptide model can be obtained that is environment-transferable and that correctly represents the peptide's conformational response to different stimuli compared to atomistic reference simulations. The two types of auxiliary interactions lead to different kinetic behavior as well as to different structural properties for fully formed helices and folding intermediates, and we discuss the advantages and disadvantages of these approaches.

  10. ON THE STAR FORMATION LAW FOR SPIRAL AND IRREGULAR GALAXIES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Elmegreen, Bruce G., E-mail: bge@us.ibm.com

    2015-12-01

    A dynamical model for star formation on a galactic scale is proposed in which the interstellar medium is constantly condensing to star-forming clouds on the dynamical time of the average midplane density, and the clouds are constantly being disrupted on the dynamical timescale appropriate for their higher density. In this model, the areal star formation rate scales with the 1.5 power of the total gas column density throughout the main regions of spiral galaxies, and with a steeper power, 2, in the far outer regions and in dwarf irregular galaxies because of the flaring disks. At the same time, theremore » is a molecular star formation law that is linear in the main and outer parts of disks and in dIrrs because the duration of individual structures in the molecular phase is also the dynamical timescale, canceling the additional 0.5 power of surface density. The total gas consumption time scales directly with the midplane dynamical time, quenching star formation in the inner regions if there is no accretion, and sustaining star formation for ∼100 Gyr or more in the outer regions with no qualitative change in gas stability or molecular cloud properties. The ULIRG track follows from high densities in galaxy collisions.« less

  11. Rock.XML - Towards a library of rock physics models

    NASA Astrophysics Data System (ADS)

    Jensen, Erling Hugo; Hauge, Ragnar; Ulvmoen, Marit; Johansen, Tor Arne; Drottning, Åsmund

    2016-08-01

    Rock physics modelling provides tools for correlating physical properties of rocks and their constituents to the geophysical observations we measure on a larger scale. Many different theoretical and empirical models exist, to cover the range of different types of rocks. However, upon reviewing these, we see that they are all built around a few main concepts. Based on this observation, we propose a format for digitally storing the specifications for rock physics models which we have named Rock.XML. It does not only contain data about the various constituents, but also the theories and how they are used to combine these building blocks to make a representative model for a particular rock. The format is based on the Extensible Markup Language XML, making it flexible enough to handle complex models as well as scalable towards extending it with new theories and models. This technology has great advantages as far as documenting and exchanging models in an unambiguous way between people and between software. Rock.XML can become a platform for creating a library of rock physics models; making them more accessible to everyone.

  12. Quantifying structural states of soft mudrocks

    NASA Astrophysics Data System (ADS)

    Li, B.; Wong, R. C. K.

    2016-05-01

    In this paper, a cm model is proposed to quantify structural states of soft mudrocks, which are dependent on clay fractions and porosities. Physical properties of natural and reconstituted soft mudrock samples are used to derive two parameters in the cm model. With the cm model, a simplified homogenization approach is proposed to estimate geomechanical properties and fabric orientation distributions of soft mudrocks based on the mixture theory. Soft mudrocks are treated as a mixture of nonclay minerals and clay-water composites. Nonclay minerals have a high stiffness and serve as a structural framework of mudrocks when they have a high volume fraction. Clay-water composites occupy the void space among nonclay minerals and serve as an in-fill matrix. With the increase of volume fraction of clay-water composites, there is a transition in the structural state from the state of framework supported to the state of matrix supported. The decreases in shear strength and pore size as well as increases in compressibility and anisotropy in fabric are quantitatively related to such transition. The new homogenization approach based on the proposed cm model yields better performance evaluation than common effective medium modeling approaches because the interactions among nonclay minerals and clay-water composites are considered. With wireline logging data, the cm model is applied to quantify the structural states of Colorado shale formations at different depths in the Cold Lake area, Alberta, Canada. Key geomechancial parameters are estimated based on the proposed homogenization approach and the critical intervals with low strength shale formations are identified.

  13. Fuzzy inference system for identification of geological stratigraphy off Prydz Bay, East Antarctica

    NASA Astrophysics Data System (ADS)

    Singh, Upendra K.

    2011-12-01

    The analysis of well logging data plays key role in the exploration and development of hydrocarbon reservoirs. Various well log parameters such as porosity, gamma ray, density, transit time and resistivity, help in classification of strata and estimation of the physical, electrical and acoustical properties of the subsurface lithology. Strong and conspicuous changes in some of the log parameters associated with any particular geological stratigraphy formation are function of its composition, physical properties that help in classification. However some substrata show moderate values in respective log parameters and make difficult to identify the kind of strata, if we go by the standard variability ranges of any log parameters and visual inspection. The complexity increases further with more number of sensors involved. An attempt is made to identify the kinds of stratigraphy from well logs over Prydz bay basin, East Antarctica using fuzzy inference system. A model is built based on few data sets of known stratigraphy and further the network model is used as test model to infer the lithology of a borehole from their geophysical logs, not used in simulation. Initially the fuzzy based algorithm is trained, validated and tested on well log data and finally identifies the formation lithology of a hydrocarbon reservoir system of study area. The effectiveness of this technique is demonstrated by the analysis of the results for actual lithologs and coring data of ODP Leg 188. The fuzzy results show that the training performance equals to 82.95% while the prediction ability is 87.69%. The fuzzy results are very encouraging and the model is able to decipher even thin layer seams and other strata from geophysical logs. The result provides the significant sand formation of depth range 316.0- 341.0 m, where core recovery is incomplete.

  14. An analysis of electrical conductivity model in saturated porous media

    NASA Astrophysics Data System (ADS)

    Cai, J.; Wei, W.; Qin, X.; Hu, X.

    2017-12-01

    Electrical conductivity of saturated porous media has numerous applications in many fields. In recent years, the number of theoretical methods to model electrical conductivity of complex porous media has dramatically increased. Nevertheless, the process of modeling the spatial conductivity distributed function continues to present challenges when these models used in reservoirs, particularly in porous media with strongly heterogeneous pore-space distributions. Many experiments show a more complex distribution of electrical conductivity data than the predictions derived from the experiential model. Studies have observed anomalously-high electrical conductivity of some low-porosity (tight) formations compared to more- porous reservoir rocks, which indicates current flow in porous media is complex and difficult to predict. Moreover, the change of electrical conductivity depends not only on the pore volume fraction but also on several geometric properties of the more extensive pore network, including pore interconnection and tortuosity. In our understanding of electrical conductivity models in porous media, we study the applicability of several well-known methods/theories to electrical characteristics of porous rocks as a function of pore volume, tortuosity and interconnection, to estimate electrical conductivity based on the micro-geometrical properties of rocks. We analyze the state of the art of scientific knowledge and practice for modeling porous structural systems, with the purpose of identifying current limitations and defining a blueprint for future modeling advances. We compare conceptual descriptions of electrical current flow processes in pore space considering several distinct modeling approaches. Approaches to obtaining more reasonable electrical conductivity models are discussed. Experiments suggest more complex relationships between electrical conductivity and porosity than experiential models, particularly in low-porosity formations. However, the available theoretical models combined with simulations do provide insight to how microscale physics affects macroscale electrical conductivity in porous media.

  15. Toward Molecular Engineering of Polymer Glasses

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Freed, Karl F.; Xu, Wen-Sheng; Dudowicz, Jacek B.

    Glass formation has been central to fabrication technologies since the dawn of civilization. Glasses not only encompass window panes, the insulation in our homes, the optical fibers supplying our cable TV, and vessels for eating and drinking, but they also include a vast array of ‘‘plastic’’ polymeric materials. Glasses find applications in high technology (e.g., producing microelectronic materials, etc., amorphous semiconductors), and recent advances have created ‘‘plastic metallic glasses’’ that are promising for fabricating everyday structural materials. Many commercially relevant systems, such as microemulsions and colloidal suspensions, have complex molecular structures and thus solidify by glass formation. Despite the importancemore » of understanding the fundamental nature of glass formation for the synthesis of new materials, a predictive molecular theory has been lacking. Much of our understanding of glass formation derives from the analysis of experimental data, a process that has uncovered a number of interesting universal behaviors, namely, relations between properties that are independent of molecular details. However, these empirically derived relations and their limitations remain to be understood on the basis of theories, and, more importantly, there is strong need for theories of the explicit variation with molecular system to enable the rational design and tailoring of new materials. We have recently developed the generalized entropy theory, the only analytic, theory that enables describing the dependence of the properties of glass-formation on monomer molecular structures. These properties include the two central quantities of glass formation, the glass transition temperature and the glass fragility parameter, material dependent properties that govern how a material may be processed (e.g., by extrusion, ink jet, molding, etc.) Our recent works, which are further described below, extend the studies of glass formation in polymer systems to test the theory by directly comparing between the predictions of our generalized entropy theory with experiment and with simulations and to expand the vistas of the theory to describe a wider range of important systems (e.g. glass formation in binary blends and systems with specific interactions) and phenomena that are describable by the generalized entropy theory. In addition, we have addressed longstanding fundamental problems associated with the validity of the Adam-Gibbs theory, one of the underpinnings of the general entropy theory. Theoretical advances to enable describing the properties of glass-formation over a wider class of important polymeric systems, included semi-flexible systems, the more general situation of specific interactions, and more. Our recent work removes the simplest approximation uses the simplest model in which the interaction is approximated by a single, monomer average. Thus, the theory has been extended to allow some variations of the energy parameters between the atoms within the monomers. The theory has also been extended to include all the contributions from chain semi-flexibility. Both projects are extremely difficult, but the payback is that the process of solving the problems developed strong theoretical skills in Dr. Xu, who has recently begun a postdoc position at ORNL. The theory has also been extended to describe glass formation in partially miscible blends, with good general agreement with experiment. Again, the development of the theory presented an extremely difficult problem, but the payback is the development of a theory for a very important class of systems. Another project provides an extremely simple approximation for certain properties of glass formation in polymer melts and should make the theory more accessible to everyone.« less

  16. Microstructural, optical and dielectric properties of La{sub 0.8}Ba{sub 0.2}FeO{sub 3} nanostructures synthesized by sol-gel combustion method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ali, S. Asad, E-mail: asadsyyed@gmail.com; Naseem, Swaleha; Khan, Wasi

    2015-06-24

    Barium doped lanthanum ferrite (LaFeO{sub 3}) nanoparticles (NPs) were prepared by gel combustion method and calcinated at 700°C. Microstructural studies were carried by XRD and SEM techniques. The results of structural characterization show the formation of all samples in single phase without any impurity. Optical properties were studied by UV- visible technique. The energy band gap was calculated and obtained 3.01 eV. Dielectric properties characterized by LCR meter and have been observed appreciable changes. The observed behavior of the dielectric properties can be attributed on the basis of Koop’s theory based on Maxwell-Wagner two layer models in studied nanoparticles.

  17. Atomistic Modeling of Surface and Bulk Properties of Cu, Pd and the Cu-Pd System

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Garces, Jorge E.; Noebe, Ronald D.; Abel, Phillip; Mosca, Hugo O.; Gray, Hugh R. (Technical Monitor)

    2002-01-01

    The BFS (Bozzolo-Ferrante-Smith) method for alloys is applied to the study of the Cu-Pd system. A variety of issues are analyzed and discussed, including the properties of pure Cu or Pd crystals (surface energies, surface relaxations), Pd/Cu and Cu/Pd surface alloys, segregation of Pd (or Cu) in Cu (or Pd), concentration dependence of the lattice parameter of the high temperature fcc CuPd solid solution, the formation and properties of low temperature ordered phases, and order-disorder transition temperatures. Emphasis is made on the ability of the method to describe these properties on the basis of a minimum set of BFS universal parameters that uniquely characterize the Cu-Pd system.

  18. Testing galaxy quenching theories with scatter in the stellar-to-halo mass relation

    NASA Astrophysics Data System (ADS)

    Tinker, Jeremy L.

    2017-05-01

    We use the scatter in the stellar-to-halo mass relation to constrain galaxy evolution models. If the efficiency of converting accreted baryons into stars varies with time, haloes of the same present-day mass but different formation histories will have different z = 0 galaxy stellar mass. This is one of the sources of scatter in stellar mass at fixed halo mass, σlog M*. For massive haloes that undergo rapid quenching of star formation at z ˜ 2, different mechanisms that trigger this quenching yield different values of σlog M*. We use this framework to test various models in which quenching begins after a galaxy crosses a threshold in one of the following physical quantities: redshift, halo mass, stellar mass and stellar-to-halo mass ratio. Our model is highly idealized, with other sources of scatter likely to arise as more physics is included. Thus, our test is whether a model can produce scatter lower than observational bounds, leaving room for other sources. Recent measurements find σlog M* = 0.16 dex for 1011 M⊙ galaxies. Under the assumption that the threshold is constant with time, such a low value of σlog M* rules out all of these models with the exception of quenching by a stellar mass threshold. Most physical quantities, such as metallicity, will increase scatter if they are uncorrelated with halo formation history. Thus, to decrease the scatter of a given model, galaxy properties would correlate tightly with formation history, creating testable predictions for their clustering. Understanding why σlog M* is so small may be key to understanding the physics of galaxy formation.

  19. Hygroscopic properties of internally mixed particles composed of NaCl and water-soluble organic acids.

    PubMed

    Ghorai, Suman; Wang, Bingbing; Tivanski, Alexei; Laskin, Alexander

    2014-02-18

    Atmospheric aging of naturally emitted marine aerosol often leads to formation of internally mixed particles composed of sea salts and water-soluble organic compounds of anthropogenic origin. Mixing of sea salt and organic components has profound effects on the evolving chemical composition and hygroscopic properties of the resulted particles, which are poorly understood. Here, we have studied chemical composition and hygroscopic properties of laboratory generated NaCl particles mixed with malonic acid (MA) and glutaric acid (GA) at different molar ratios using micro-FTIR spectroscopy, atomic force microscopy, and X-ray elemental microanalysis. Hygroscopic properties of internally mixed NaCl and organic acid particles were distinctly different from pure components and varied significantly with the type and amount of organic compound present. Experimental results were in a good agreement with the AIM modeling calculations of gas/liquid/solid partitioning in studied systems. X-ray elemental microanalysis of particles showed that Cl/Na ratio decreased with increasing organic acid component in the particles with MA yielding lower ratios relative to GA. We attribute the depletion of chloride to the formation of sodium malonate and sodium glutarate salts resulted by HCl evaporation from dehydrating particles.

  20. Hygroscopic Properties of Internally Mixed Particles Composed of NaCl and Water-Soluble Organic Acids

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ghorai, Suman; Wang, Bingbing; Tivanski, Alexei V.

    Atmospheric aging of naturally emitted marine aerosol often leads to formation of internally mixed particles composed of sea salts and water soluble organic compounds of anthropogenic origin. Mixing of sea salt and organic components has profound effects on the evolving chemical composition and hygroscopic properties of the resulted particles, which are poorly understood. Here, we have studied chemical composition and hygroscopic properties of laboratory generated NaCl particles mixed with malonic acid (MA) and glutaric acid (GA) at different molar ratios using micro-FTIR spectroscopy and X-ray elemental microanalysis.Hygroscopic properties of inte rnally mixed NaCl and organic acid particles were distinctly differentmore » from pure components and varied significantly with the type and amount of organic compound present. Experimental results were in a good agreement with the AIM modeling calculations of gas/liquid/solid partitioning in studied systems. X-ray elemental microanalysis of particles showed that Cl/Na ratio decreased with increasing organic acid component in the particles with MA yielding lower ratios relative to GA. We attribute the depletion of chloride to the formation of Na-malonate and Na-glutarate salts resulted by HCl evaporation from dehydrating particles.« less

  1. Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3

    NASA Astrophysics Data System (ADS)

    Buckeridge, J.; Taylor, F. H.; Catlow, C. R. A.

    2016-04-01

    Complex perovskite oxides are promising materials for cathode layers in solid oxide fuel cells. Such materials have intricate electronic, magnetic, and crystalline structures that prove challenging to model accurately. We analyze a wide range of standard density functional theory approaches to modeling a highly promising system, the perovskite LaCoO3, focusing on optimizing the Hubbard U parameter to treat the self-interaction of the B-site cation's d states, in order to determine the most appropriate method to study defect formation and the effect of spin on local structure. By calculating structural and electronic properties for different magnetic states we determine that U =4 eV for Co in LaCoO3 agrees best with available experiments. We demonstrate that the generalized gradient approximation (PBEsol +U ) is most appropriate for studying structure versus spin state, while the local density approximation (LDA +U ) is most appropriate for determining accurate energetics for defect properties.

  2. Computer simulation of surface and film processes

    NASA Technical Reports Server (NTRS)

    Tiller, W. A.; Halicioglu, M. T.

    1984-01-01

    All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

  3. Emergence of organized structure in co-culture spheroids: Experiments and Theory

    NASA Astrophysics Data System (ADS)

    Sanford, Roland; Kolbman, Dan; Song, Wei; Wu, Mingming; Ma, Minglin; Das, Moumita

    During tissue morphogenesis, from formation of embryos to tumor progression, cells often live and migrate in a heterogeneous environment consisting of many types of cells. To understand how differences in cell mechanobiological properties impact cellular self-organization and migration, we study a co-culture model composed of two distinct cell types confined in a three-dimensional spherical capsule. The cells are modeled as deformable, interacting, self-propelled particles that proliferate at specified timescales. A disordered potential is introduced to mimic the effect of the extracellular matrix (ECM). By varying the mechano-adhesive properties of each type, we investigate how differences in cell stiffness, cell-cell adhesion, and cell-ECM interaction influence collective properties of the binary cell population, such as self-assembly and migration. The predictions of the model are compared to experimental results on co-cutures of breast cancer cells and non-tumorigenic breast epithelial cells. This work was partially supported by a Cottrell College Science Award from the Research Corporation for Science Advancement.

  4. Fire Whirls

    NASA Astrophysics Data System (ADS)

    Tohidi, Ali; Gollner, Michael J.; Xiao, Huahua

    2018-01-01

    Fire whirls present a powerful intensification of combustion, long studied in the fire research community because of the dangers they present during large urban and wildland fires. However, their destructive power has hidden many features of their formation, growth, and propagation. Therefore, most of what is known about fire whirls comes from scale modeling experiments in the laboratory. Both the methods of formation, which are dominated by wind and geometry, and the inner structure of the whirl, including velocity and temperature fields, have been studied at this scale. Quasi-steady fire whirls directly over a fuel source form the bulk of current experimental knowledge, although many other cases exist in nature. The structure of fire whirls has yet to be reliably measured at large scales; however, scaling laws have been relatively successful in modeling the conditions for formation from small to large scales. This review surveys the state of knowledge concerning the fluid dynamics of fire whirls, including the conditions for their formation, their structure, and the mechanisms that control their unique state. We highlight recent discoveries and survey potential avenues for future research, including using the properties of fire whirls for efficient remediation and energy generation.

  5. Scheduling double round-robin tournaments with divisional play using constraint programming

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Carlsson, Mats; Johansson, Mikael; Larson, Jeffrey

    We study a tournament format that extends a traditional double round-robin format with divisional single round-robin tournaments. Elitserien, the top Swedish handball league, uses such a format for its league schedule. We present a constraint programming model that characterizes the general double round-robin plus divisional single round-robin format. This integrated model allows scheduling to be performed in a single step, as opposed to common multistep approaches that decompose scheduling into smaller problems and possibly miss optimal solutions. In addition to general constraints, we introduce Elitserien-specific requirements for its tournament. These general and league-specific constraints allow us to identify implicit andmore » symmetry-breaking properties that reduce the time to solution from hours to seconds. A scalability study of the number of teams shows that our approach is reasonably fast for even larger league sizes. The experimental evaluation of the integrated approach takes considerably less computational effort to schedule Elitserien than does the previous decomposed approach. (C) 2016 Elsevier B.V. All rights reserved« less

  6. QSPR for predicting chloroform formation in drinking water disinfection.

    PubMed

    Luilo, G B; Cabaniss, S E

    2011-01-01

    Chlorination is the most widely used technique for water disinfection, but may lead to the formation of chloroform (trichloromethane; TCM) and other by-products. This article reports the first quantitative structure-property relationship (QSPR) for predicting the formation of TCM in chlorinated drinking water. Model compounds (n = 117) drawn from 10 literature sources were divided into training data (n = 90, analysed by five-way leave-many-out internal cross-validation) and external validation data (n = 27). QSPR internal cross-validation had Q² = 0.94 and root mean square error (RMSE) of 0.09 moles TCM per mole compound, consistent with external validation Q2 of 0.94 and RMSE of 0.08 moles TCM per mole compound, and met criteria for high predictive power and robustness. In contrast, log TCM QSPR performed poorly and did not meet the criteria for predictive power. The QSPR predictions were consistent with experimental values for TCM formation from tannic acid and for model fulvic acid structures. The descriptors used are consistent with a relatively small number of important TCM precursor structures based upon 1,3-dicarbonyls or 1,3-diphenols.

  7. The fraction of quiescent massive galaxies in the early Universe

    NASA Astrophysics Data System (ADS)

    Fontana, A.; Santini, P.; Grazian, A.; Pentericci, L.; Fiore, F.; Castellano, M.; Giallongo, E.; Menci, N.; Salimbeni, S.; Cristiani, S.; Nonino, M.; Vanzella, E.

    2009-07-01

    Aims: We attempt to compile a complete, mass-selected sample of galaxies with low specific star-formation rates, and compare their properties with theoretical model predictions. Methods: We use the f(24 μ m})/f(K) flux ratio and the SED fitting to the 0.35-8.0 μm spectral distribution, to select quiescent galaxies from z≃ 0.4 to z≃ 4 in the GOODS-MUSIC sample. Our observational selection can be translated into thresholds in specific star-formation rate dot{M}/M_*, which can be compared with theoretical predictions. Results: In the framework of the well-known global decline in quiescent galaxy fraction with redshift, we find that a non-negligible fraction {≃ 15-20% of massive galaxies with low specific star-formation rate exists up to z≃ 4, including a tail of “red and dead” galaxies with dot{M}/M_*<10-11 yr-1. Theoretical models vary to a large extent in their predictions for the fraction of galaxies with low specific star-formation rates, but are unable to provide a global match to our data.

  8. The Formation of a Milky Way-sized Disk Galaxy. I. A Comparison of Numerical Methods

    NASA Astrophysics Data System (ADS)

    Zhu, Qirong; Li, Yuexing

    2016-11-01

    The long-standing challenge of creating a Milky Way- (MW-) like disk galaxy from cosmological simulations has motivated significant developments in both numerical methods and physical models. We investigate these two fundamental aspects in a new comparison project using a set of cosmological hydrodynamic simulations of an MW-sized galaxy. In this study, we focus on the comparison of two particle-based hydrodynamics methods: an improved smoothed particle hydrodynamics (SPH) code Gadget, and a Lagrangian Meshless Finite-Mass (MFM) code Gizmo. All the simulations in this paper use the same initial conditions and physical models, which include star formation, “energy-driven” outflows, metal-dependent cooling, stellar evolution, and metal enrichment. We find that both numerical schemes produce a late-type galaxy with extended gaseous and stellar disks. However, notable differences are present in a wide range of galaxy properties and their evolution, including star-formation history, gas content, disk structure, and kinematics. Compared to Gizmo, the Gadget simulation produced a larger fraction of cold, dense gas at high redshift which fuels rapid star formation and results in a higher stellar mass by 20% and a lower gas fraction by 10% at z = 0, and the resulting gas disk is smoother and more coherent in rotation due to damping of turbulent motion by the numerical viscosity in SPH, in contrast to the Gizmo simulation, which shows a more prominent spiral structure. Given its better convergence properties and lower computational cost, we argue that the MFM method is a promising alternative to SPH in cosmological hydrodynamic simulations.

  9. THE FORMATION OF A MILKY WAY-SIZED DISK GALAXY. I. A COMPARISON OF NUMERICAL METHODS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Qirong; Li, Yuexing, E-mail: qxz125@psu.edu

    The long-standing challenge of creating a Milky Way- (MW-) like disk galaxy from cosmological simulations has motivated significant developments in both numerical methods and physical models. We investigate these two fundamental aspects in a new comparison project using a set of cosmological hydrodynamic simulations of an MW-sized galaxy. In this study, we focus on the comparison of two particle-based hydrodynamics methods: an improved smoothed particle hydrodynamics (SPH) code Gadget, and a Lagrangian Meshless Finite-Mass (MFM) code Gizmo. All the simulations in this paper use the same initial conditions and physical models, which include star formation, “energy-driven” outflows, metal-dependent cooling, stellarmore » evolution, and metal enrichment. We find that both numerical schemes produce a late-type galaxy with extended gaseous and stellar disks. However, notable differences are present in a wide range of galaxy properties and their evolution, including star-formation history, gas content, disk structure, and kinematics. Compared to Gizmo, the Gadget simulation produced a larger fraction of cold, dense gas at high redshift which fuels rapid star formation and results in a higher stellar mass by 20% and a lower gas fraction by 10% at z = 0, and the resulting gas disk is smoother and more coherent in rotation due to damping of turbulent motion by the numerical viscosity in SPH, in contrast to the Gizmo simulation, which shows a more prominent spiral structure. Given its better convergence properties and lower computational cost, we argue that the MFM method is a promising alternative to SPH in cosmological hydrodynamic simulations.« less

  10. Modeling the stepping mechanism in negative lightning leaders

    NASA Astrophysics Data System (ADS)

    Iudin, Dmitry; Syssoev, Artem; Davydenko, Stanislav; Rakov, Vladimir

    2017-04-01

    It is well-known that the negative leaders develop in a step manner using a mechanism of the so-called space leaders in contrary to positive ones, which propagate continuously. Despite this fact has been known for about a hundred years till now no one had developed any plausible model explaining this asymmetry. In this study we suggest a model of the stepped development of the negative lightning leader which for the first time allows carrying out the numerical simulation of its evolution. The model is based on the probability approach and description of temporal evolution of the discharge channels. One of the key features of our model is accounting for the presence of so called space streamers/leaders which play a fundamental role in the formation of negative leader's steps. Their appearance becomes possible due to the accounting of potential influence of the space charge injected into the discharge gap by the streamer corona. The model takes into account an asymmetry of properties of negative and positive streamers which is based on well-known from numerous laboratory measurements fact that positive streamers need about twice weaker electric field to appear and propagate as compared to negative ones. An extinction of the conducting channel as a possible way of its evolution is also taken into account. This allows us to describe the leader channel's sheath formation. To verify the morphology and characteristics of the model discharge, we use the results of the high-speed video observations of natural negative stepped leaders. We can conclude that the key properties of the model and natural negative leaders are very similar.

  11. A model of habitability within the Milky Way galaxy.

    PubMed

    Gowanlock, M G; Patton, D R; McConnell, S M

    2011-11-01

    We present a model of the galactic habitable zone (GHZ), described in terms of the spatial and temporal dimensions of the Galaxy that may favor the development of complex life. The Milky Way galaxy was modeled using a computational approach by populating stars and their planetary systems on an individual basis by employing Monte Carlo methods. We began with well-established properties of the disk of the Milky Way, such as the stellar number density distribution, the initial mass function, the star formation history, and the metallicity gradient as a function of radial position and time. We varied some of these properties and created four models to test the sensitivity of our assumptions. To assess habitability on the galactic scale, we modeled supernova rates, planet formation, and the time required for complex life to evolve. Our study has improved on other literature on the GHZ by populating stars on an individual basis and modeling Type II supernova (SNII) and Type Ia supernova (SNIa) sterilizations by selecting their progenitors from within this preexisting stellar population. Furthermore, we considered habitability on tidally locked and non-tidally locked planets separately and studied habitability as a function of height above and below the galactic midplane. In the model that most accurately reproduces the properties of the Galaxy, the results indicate that an individual SNIa is ∼5.6× more lethal than an individual SNII on average. In addition, we predict that ∼1.2% of all stars host a planet that may have been capable of supporting complex life at some point in the history of the Galaxy. Of those stars with a habitable planet, ∼75% of planets are predicted to be in a tidally locked configuration with their host star. The majority of these planets that may support complex life are found toward the inner Galaxy, distributed within, and significantly above and below, the galactic midplane.

  12. A Mechanomodulatory Device to Minimize Incisional Scar Formation

    PubMed Central

    Wong, Victor W.; Beasley, Bill; Zepeda, John; Dauskardt, Reinhold H.; Yock, Paul G.; Longaker, Michael T.; Gurtner, Geoffrey C.

    2013-01-01

    Objective To mechanically control the wound environment and prevent cutaneous scar formation. Approach We subjected various material substrates to biomechanical testing to investigate their ability to modulate skin behavior. Combinations of elastomeric materials, adhesives, and strain applicators were evaluated to develop topical stress-shielding devices. Noninvasive imaging modalities were utilized to characterize anatomic site-specific differences in skin biomechanical properties in humans. The devices were tested in a validated large animal model of hypertrophic scarring. Phase I within-patient controlled clinical trials were conducted to confirm their safety and efficacy in scar reduction in patients undergoing abdominoplasty surgery. Results Among the tested materials and device applicators, a polymer device was developed that effectively off-loaded high tension wounds and blocked pro-fibrotic pathways and excess scar formation in red Duroc swine. In humans, different anatomic sites exhibit unique biomechanical properties that may correlate with the propensity to form scars. In the clinical trial, utilization of this device significantly reduced incisional scar formation and improved scar appearance for up to 12 months compared with control incisions that underwent routine postoperative care. Innovation This is the first device that is able to precisely control the mechanical environment of incisional wounds and has been demonstrated in multiple clinical trials to significantly reduce scar formation after surgery. Conclusion Mechanomodulatory strategies to control the incisional wound environment can significantly reduce pathologic scarring and fibrosis after surgery. PMID:24527342

  13. Past and future star formation in disk galaxies

    NASA Astrophysics Data System (ADS)

    Kennicutt, Robert C., Jr.; Tamblyn, Peter; Congdon, Charles E.

    1994-11-01

    We have combined H-alpha and UBV measurements of 210 nearby Sa-Irr galaxies with new photometric synthesis models to reanalyze the past and future star formation timescales in disks. The integrated photoionization rates and colors of disks are best fitted by a stellar initial mass function (IMF) which is enriched in massive stars by a factor of 2-3 relative to the Scalo solar neighborhood IMF. We have used published surface photometry of spiral galaxies to analyze the star formation histories of disks independent of their bulge properties. The ratio of the current star formation rate (SFR) to the average past rate increases from of order 0.01 in Sa galaxies to 1 in Sc-Irr disks. This confirms that the pronounced change in the photometric properties of spiral galaxies along the Hubble sequence is predominantly due to changes in the star formation histories of disks, and only secondarily to changes in the bulge/disk ratio. A comparison of current SFRs and gas masses of the sample yields median timescales for gas consumption of approximately 3 Gyr, in the absence of stellar recycling. However, a proper time-dependent treatment of the gas return from stars shows that recycling extends the gas lifetimes of disks by factors of 1.5-4 for typical disk parameters. Consequently the current SFRs in many (but not all) disks can be sustained for periods comparable to the Hubble time.

  14. Cenosphere formation from heavy fuel oil: a numerical analysis accounting for the balance between porous shells and internal pressure

    NASA Astrophysics Data System (ADS)

    Reddy, Vanteru M.; Rahman, Mustafa M.; Gandi, Appala N.; Elbaz, Ayman M.; Schrecengost, Robert A.; Roberts, William L.

    2016-01-01

    Heavy fuel oil (HFO) as a fuel in industrial and power generation plants ensures the availability of energy at economy. Coke and cenosphere emissions from HFO combustion need to be controlled by particulate control equipment such as electrostatic precipitators, and collection effectiveness is impacted by the properties of these particulates. The cenosphere formation is a function of HFO composition, which varies depending on the source of the HFO. Numerical modelling of the cenosphere formation mechanism presented in this paper is an economical method of characterising cenosphere formation potential for HFO in comparison to experimental analysis of individual HFO samples, leading to better control and collection. In the present work, a novel numerical model is developed for understanding the global cenosphere formation mechanism. The critical diameter of the cenosphere is modelled based on the balance between two pressures developed in an HFO droplet. First is the pressure (Prpf) developed at the interface of the liquid surface and the inner surface of the accumulated coke due to the flow restriction of volatile components from the interior of the droplet. Second is the pressure due to the outer shell strength (PrC) gained from van der Walls energy of the coke layers and surface energy. In this present study it is considered that when PrC ≥ Prpf the outer shell starts to harden. The internal motion in the shell layer ceases and the outer diameter (DSOut) of the shell is then fixed. The entire process of cenosphere formation in this study is analysed in three phases: regression, shell formation and hardening, and post shell hardening. Variations in pressures during shell formation are analysed. Shell (cenosphere) dimensions are evaluated at the completion of droplet evaporation. The rate of fuel evaporation, rate of coke formation and coke accumulation are analysed. The model predicts shell outer diameters of 650, 860 and 1040 µm, and inner diameters are 360, 410 and 430 µm respectively, for 700, 900 and 1100 µm HFO droplets. The present numerical model is validated with experimental results available from the literature. Total variation between computational and experimental results is in the range of 3-7%.

  15. Photochemical aerosol formation in planetary atmospheres: A comparison between Pluto and Titan

    NASA Astrophysics Data System (ADS)

    Lavvas, Panayotis; Strobel, Darrell F.; Lellouch, Emmanuel; Gurwell, Mark A.; Cheng, Andrew F.; Summers, Michael; Gladstone, Randy

    2016-10-01

    The New Horizons mission observations have revealed us that Pluto's atmosphere is rich in photochemical hazes that extend to high altitudes above its surface [1], apparently similar to those observed in Titan's atmosphere [2].We use detailed models combining photochemistry and microphysics in order to simulate the aerosol formation and growth in Pluto's atmosphere, as performed for Titan's atmosphere [3]. Here we discuss the possible mechanisms leading to the formation of haze particles in Pluto's atmosphere, and we evaluate the contribution of different growth processes (e.g. coagulation vs. condensation) to the resulting particle properties.Moreover we investigate the role of these particles in the radiative balance of Pluto's atmosphere and we compare the resulting particle properties, with those retrieved for Titan's upper atmosphere based on Cassini observations [4]. We discuss the similarities and difference between Pluto's and Titan's aerosols.[1] Gladstone et al., 2016, Science, 351, 6271[2] West et al., 2015, Titan's Haze, in Titan, Interior, Surface, Atmosphere and Space environment, Cambridge University Press[3] Lavvas et al., 2013, PNAS, pnas.1217059110[4] Lavvas et al., 2015, DPS47, id.205.08

  16. A thermo-mechanical correlation with driving forces for hcp martensite and twin formations in the Fe–Mn–C system exhibiting multicomposition sets

    PubMed Central

    Nakano, Jinichiro

    2013-01-01

    The thermodynamic properties of the Fe–Mn–C system were investigated by using an analytical model constructed by a CALPHAD approach. The stacking fault energy (SFE) of the fcc structure with respect to the hcp phase was always constant at T0, independent of the composition and temperature when other related parameters were assumed to be constant. Experimental limits for the thermal hcp formation and the mechanical (deformation-induced) hcp formation were separated by the SFE at T0. The driving force for the fcc to hcp transition, defined as a dimensionless value –dGm/(RT), was determined in the presence of Fe-rich and Mn-rich composition sets in each phase. Carbon tended to partition to the Mn-rich phase rather than to the Fe-rich phase for the compositions studied. The results obtained revealed a thermo-mechanical correlation with empirical yield strength, maximum true stress and maximum true strain. The proportionality between thermodynamics and mechanical properties is discussed. PMID:27877555

  17. A thermo-mechanical correlation with driving forces for hcp martensite and twin formations in the Fe–Mn–C system exhibiting multicomposition sets

    DOE PAGES

    Nakano, Jinichiro

    2013-03-15

    Thermodynamic properties of the Fe-Mn-C system were investigated by using an analytical model constructed by a CALPHAD approach. Stacking fault energy (SFE) of the fcc structure with respect to the hcp phase was always constant at T 0, independent of composition and temperature when the other related parameters were assumed to be constant. Experimental limits for the thermal hcp formation and the mechanical (deformation-induced) hcp formation were separated by the SFE at T 0. The driving force for the fcc to hcp transition, defined as a dimensionless value –dG m/(RT), was determined in the presence of Fe-rich and Mn-rich compositionmore » sets in each phase. Carbon tended to partition to the Mn-rich phase rather than to the Fe-rich phase for the studied compositions. The obtained results revealed a thermo-mechanical correlation with empirical yield strength, maximum true stress and maximum true strain. The proportionality between thermodynamics and mechanical properties is discussed.« less

  18. Control of the shell structural properties and cavity diameter of hollow magnesium fluoride particles.

    PubMed

    Nandiyanto, Asep Bayu Dani; Ogi, Takashi; Okuyama, Kikuo

    2014-03-26

    Control of the shell structural properties [i.e., thickness (8-25 nm) and morphology (dense and raspberry)] and cavity diameter (100-350 nm) of hollow particles was investigated experimentally, and the results were qualitatively explained based on the available theory. We found that the selective deposition size and formation of the shell component on the surface of a core template played important roles in controlling the structure of the resulting shell. To achieve the selective deposition size and formation of the shell component, various process parameters (i.e., reaction temperature and charge, size, and composition of the core template and shell components) were tested. Magnesium fluoride (MgF2) and polystyrene spheres were used as models for shell and core components, respectively. MgF2 was selected because, to the best of our knowledge, the current reported approaches to date were limited to synthesis of MgF2 in film and particle forms only. Therefore, understanding how to control the formation of MgF2 with various structures (both the thickness and morphology) is a prospective for advanced lens synthesis and applications.

  19. The Potosi Reservoir Model 2013c, Property Modeling Update

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Adushita, Yasmin; Smith, Valerie; Leetaru, Hannes

    2014-09-30

    As part of a larger project co-funded by the United States Department of Energy (US DOE) to evaluate the potential of formations within the Cambro-Ordovician strata above the Mt. Simon as potential targets for carbon sequestration in the Illinois and Michigan Basins, the Illinois Clean Coal Institute (ICCI) requested Schlumberger to evaluate the potential injectivity and carbon dioxide (CO2) plume size of the Cambrian Potosi Formation. The evaluation of this formation was accomplished using wireline data, core data, pressure data, and seismic data from this project as well as two other separately funded projects: the US DOE-funded Illinois Basin–Decatur Projectmore » (IBDP) being conducted by the Midwest Geological Sequestration Consortium (MGSC) in Macon County, Illinois, and the Illinois Industrial Carbon Capture and Sequestration (ICCS) project funded through the American Recovery and Reinvestment Act. In 2010, technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the Verification Well #1 (VW1) and the Injection Well (CCS1), structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. The intention was for 2.2 million tons per annum (2 million tonnes per annum [MTPA]) of CO2 to be injected for 20 years. In the Task Error! Reference source not found., the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010") was re-run using a new injection scenario of 3.5 million tons per annum (3.2 MTPA) for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. The models size was insufficient to accommodate the evolution of the plume. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 by 30 mi (48 by 48 km), while preserving all property modeling workflows and layering. This model was retained as the base case. In the preceding Task [1], the Potosi reservoir model was updated to take into account the new data from the Verification Well #2 (VW2) which was drilled in 2012. The porosity and permeability modeling was revised to take into account the log data from the new well. Revisions of the 2010 modeling assumptions were also done on relative permeability, capillary pressures, formation water salinity, and the maximum allowable well bottomhole pressure. Dynamic simulations were run using the injection target of 3.5 million tons per annum (3.2 MTPA) for 30 years. This dynamic model was named Potosi Dynamic Model 2013b. In this Task, a new property modeling workflow was applied, where seismic inversion data guided the porosity mapping and geobody extraction. The static reservoir model was fully guided by PorosityCube interpretations and derivations coupled with petrophysical logs from three wells. The two main assumptions are: porosity features in the PorosityCube that correlate with lost circulation zones represent vugular zones, and that these vugular zones are laterally continuous. Extrapolation was done carefully to populate the vugular facies and their corresponding properties outside the seismic footprint up to the boundary of the 30 by 30 mi (48 by 48 km) model. Dynamic simulations were also run using the injection target of 3.5 million tons per annum (3.2 MTPA) for 30 years. This new dynamic model was named Potosi Dynamic Model 2013c. Reservoir simulation with the latest model gives a cumulative injection of 43 million tons (39 MT) in 30 years with a single well, which corresponds to 40% of the injection target. The injection rate is approx. 3.2 MTPA in the first six months as the well is injecting into the surrounding vugs, and declines rapidly to 1.8 million tons per annum (1.6 MTPA) in year 3 once the surrounding vugs are full and the CO2 start to reach the matrix. After, the injection rate declines gradually to 1.2 million tons per annum (1.1 MTPA) in year 18 and stays constant. This implies that a minimum of three (3) wells could be required in the Potosi to reach the injection target. The injectivity evaluated in this Task was higher compared to the preceding Task, since the current facies modeling (guided by the porosity map from the seismic inversion) indicated a higher density of vugs within the vugular zones. 5 As the CO2 follows the paths where vugs interconnection exists, a reasonably large and irregular plume extent was created. After 30 years of injection, the plume extends 13.7 mi (22 km) in E-W and 9.7 mi (16 km) in N-S directions. After injection finishes, the plume continues to migrate laterally, mainly driven by the remaining pressure gradient. After 60 years post-injection, the plume extends 14.2 mi (22.8 km) in E-W and 10 mi (16 km) in N-S directions, and remains constant as the remaining pressure gradient has become very low. Should the targeted cumulative injection of 106 million tons (96 MT) be achieved; a much larger plume extent could be expected. The increase of reservoir pressure at the end of injection is approximately 1,200 psia (8,274 kPa) around the injector and gradually decreases away from the well. The reservoir pressure increase is less than 10 psia (69 kPa) beyond 14 mi (23 km) away from injector. Should the targeted cumulative injection of 106 million tons (96 MT) be achieved; a much larger areal pressure increase could be expected. The reservoir pressure declines rapidly during the first 30 years post injection and the initial reservoir pressure is nearly restored after 100 years post-injection. The present evaluation is mainly associated with uncertainty on the vugs permeability and interconnectivity. The use of porosity mapping from seismic inversion might have reduced the uncertainty on the lateral vugs body distributions. However, major uncertainties on the Potosi vugs permeability remains. Therefore, injection test and pressure interference test among the wells could be considered to evaluate the local vugs permeability, extent, and interconnectivity. Facies modeling within the Potosi has yet to be thoroughly addressed. The carbonates during the time of deposition are believed to be regionally extensive. However, it may be worth delineating the reservoir with other regional wells or modern day analogues to understand the extent of the Potosi. More specifically, the model could incorporate lateral changes or trends if deemed necessary to represent facies transition. Data acquisitions to characterize the fracture pressure gradient, the formation water properties, the relative permeability, and the capillary pressure could also be considered in order to allow a more rigorous evaluation of the Potosi storage performance. A simulation using several injectors could also be considered to determine the required number of wells and appropriate spacing to achieve the injection target while taking into account the pressure interference.« less

  20. Assessment of the physical, mechanical, and moisture-retention properties of pullulan-based ternary co-blended films.

    PubMed

    Pan, Hongyang; Jiang, Bo; Chen, Jie; Jin, Zhengyu

    2014-11-04

    Multi-component substances made through direct blending or blending with co-drying can form films on the surfaces of intermediate moisture foods (IMFs), which help retain moisture and protect food texture and flavor. An IMF film system based on pullulan, with glycerol serving as the plasticizer, was studied using alginate and four different types of polysaccharides (propyleneglycol alginate, pectin, carrageenan, and aloe polysaccharide) as the blend-modified substances. The physical, mechanical, color, transparency, and moisture-retention properties of the co-blended films with the polysaccharides were assessed. A new formula was established for the average moisture retention property, water barrier, tensile strength, elongation at break, and oxygen barrier property of the ternary co-blended films using the Design Expert software. The new model established for moisture content measurement used an indirect method of film formation on food surfaces by humectants, which should expedite model validation and allow a better comprehension of moisture transfer through edible films. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Comparison of stellar population model predictions using optical and infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Baldwin, C.; McDermid, R. M.; Kuntschner, H.; Maraston, C.; Conroy, C.

    2018-02-01

    We present Gemini/GNIRS cross-dispersed near-infrared spectra of 12 nearby early-type galaxies, with the aim of testing commonly used stellar population synthesis models. We select a subset of galaxies from the ATLAS3D sample which span a wide range of ages (single stellar population equivalent ages of 1-15 Gyr) at approximately solar metallicity. We derive star formation histories using four different stellar population synthesis models, namely those of Bruzual & Charlot, Conroy, Gunn & White, Maraston & Strömbäck and Vazdekis et al. We compare star formation histories derived from near-infrared spectra with those derived from optical spectra using the same models. We find that while all models agree in the optical, the derived star formation histories vary dramatically from model to model in the near-infrared. We find that this variation is largely driven by the choice of stellar spectral library, such that models including high-quality spectral libraries provide the best fits to the data, and are the most self-consistent when comparing optically derived properties with near-infrared ones. We also find the impact of age variation in the near-infrared to be subtle, and largely encoded in the shape of the continuum, meaning that the common approach of removing continuum information with a high-order polynomial greatly reduces our ability to constrain ages in the near-infrared.

  2. On the modeling of the bottom particles segregation with non-linear diffusion equations: application to the marine sand ripples

    NASA Astrophysics Data System (ADS)

    Tiguercha, Djlalli; Bennis, Anne-claire; Ezersky, Alexander

    2015-04-01

    The elliptical motion in surface waves causes an oscillating motion of the sand grains leading to the formation of ripple patterns on the bottom. Investigation how the grains with different properties are distributed inside the ripples is a difficult task because of the segration of particle. The work of Fernandez et al. (2003) was extended from one-dimensional to two-dimensional case. A new numerical model, based on these non-linear diffusion equations, was developed to simulate the grain distribution inside the marine sand ripples. The one and two-dimensional models are validated on several test cases where segregation appears. Starting from an homogeneous mixture of grains, the two-dimensional simulations demonstrate different segregation patterns: a) formation of zones with high concentration of light and heavy particles, b) formation of «cat's eye» patterns, c) appearance of inverse Brazil nut effect. Comparisons of numerical results with the new set of field data and wave flume experiments show that the two-dimensional non-linear diffusion equations allow us to reproduce qualitatively experimental results on particles segregation.

  3. Thermodynamic properties and atomic structure of Ca-based liquid alloys

    NASA Astrophysics Data System (ADS)

    Poizeau, Sophie

    To identify the most promising positive electrodes for Ca-based liquid metal batteries, the thermodynamic properties of diverse Ca-based liquid alloys were investigated. The thermodynamic properties of Ca-Sb alloys were determined by emf measurements. It was found that Sb as positive electrode would provide the highest voltage for Ca-based liquid metal batteries (1 V). The price of such a battery would be competitive for the grid-scale energy storage market. The impact of Pb, a natural impurity of Sb, was predicted successfully and confirmed via electrochemical measurements. It was shown that the impact on the open circuit voltage would be minor. Indeed, the interaction between Ca and Sb was demonstrated to be much stronger than between Ca and Pb using thermodynamic modeling, which explains why the partial thermodynamic properties of Ca would not vary much with the addition of Pb to Sb. However, the usage of the positive electrode would be reduced, which would limit the interest of a Pb-Sb positive electrode. Throughout this work, the molecular interaction volume model (MIVM) was used for the first time for alloys with thermodynamic properties showing strong negative deviation from ideality. This model showed that systems such as Ca-Sb have strong short-range order: Ca is most stable when its first nearest neighbors are Sb. This is consistent with what the more traditional thermodynamic model, the regular association model, would predict. The advantages of the MIVM are the absence of assumption regarding the composition of an associate, and the reduced number of fitting parameters (2 instead of 5). Based on the parameters derived from the thermodynamic modeling using the MIVM, a new potential of mixing for liquid alloys was defined to compare the strength of interaction in different Ca-based alloys. Comparing this trend with the strength of interaction in the solid state of these systems (assessed by the energy of formation of the intermetallics), the systems with the most stable intermetallics were found to have the strongest interaction in the liquid state. Eventually, a new criteria was formulated to select electrode materials for liquid metal batteries. Systems with the most stable intermetallics, which can be evaluated by the enthalpy of formation of these systems, will yield the highest voltage when assembled as positive and negative electrodes in a liquid metal battery. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs@mit.edu)

  4. Gene family evolution: an in-depth theoretical and simulation analysis of non-linear birth-death-innovation models.

    PubMed

    Karev, Georgy P; Wolf, Yuri I; Berezovskaya, Faina S; Koonin, Eugene V

    2004-09-09

    The size distribution of gene families in a broad range of genomes is well approximated by a generalized Pareto function. Evolution of ensembles of gene families can be described with Birth, Death, and Innovation Models (BDIMs). Analysis of the properties of different versions of BDIMs has the potential of revealing important features of genome evolution. In this work, we extend our previous analysis of stochastic BDIMs. In addition to the previously examined rational BDIMs, we introduce potentially more realistic logistic BDIMs, in which birth/death rates are limited for the largest families, and show that their properties are similar to those of models that include no such limitation. We show that the mean time required for the formation of the largest gene families detected in eukaryotic genomes is limited by the mean number of duplications per gene and does not increase indefinitely with the model degree. Instead, this time reaches a minimum value, which corresponds to a non-linear rational BDIM with the degree of approximately 2.7. Even for this BDIM, the mean time of the largest family formation is orders of magnitude greater than any realistic estimates based on the timescale of life's evolution. We employed the embedding chains technique to estimate the expected number of elementary evolutionary events (gene duplications and deletions) preceding the formation of gene families of the observed size and found that the mean number of events exceeds the family size by orders of magnitude, suggesting a highly dynamic process of genome evolution. The variance of the time required for the formation of the largest families was found to be extremely large, with the coefficient of variation > 1. This indicates that some gene families might grow much faster than the mean rate such that the minimal time required for family formation is more relevant for a realistic representation of genome evolution than the mean time. We determined this minimal time using Monte Carlo simulations of family growth from an ensemble of simultaneously evolving singletons. In these simulations, the time elapsed before the formation of the largest family was much shorter than the estimated mean time and was compatible with the timescale of evolution of eukaryotes. The analysis of stochastic BDIMs presented here shows that non-linear versions of such models can well approximate not only the size distribution of gene families but also the dynamics of their formation during genome evolution. The fact that only higher degree BDIMs are compatible with the observed characteristics of genome evolution suggests that the growth of gene families is self-accelerating, which might reflect differential selective pressure acting on different genes.

  5. A New Dual-Pore Formation Factor Model: A Percolation Network Study and Comparison to Experimental Data

    NASA Astrophysics Data System (ADS)

    Tang, Y. B.; Li, M.; Bernabe, Y.

    2014-12-01

    We modeled the electrical transport behavior of dual-pore carbonate rocks in this paper. Based on experimental data of a carbonate reservoir in China, we simply considered the low porosity samples equivalent to the matrix (micro-pore system) of the high porosity samples. For modeling the bimodal porous media, we considered that the matrix is homogeneous and interconnected. The connectivity and the pore size distribution of macro-pore system are varied randomly. Both pore systems are supposed to act electrically in parallel, connected at the nodes, where the fluid exchange takes place, an approach previously used by Bauer et al. (2012). Then, the effect of the properties of matrix, the pore size distribution and connectivity of macro-pore system on petrophysical properties of carbonates can be investigated. We simulated electrical current through networks in three-dimensional simple cubic (SC) and body-center cubic (BCC) with different coordination numbers and different pipe radius distributions of macro-pore system. Based on the simulation results, we found that the formation factor obeys a "universal" scaling relationship (i.e. independent of lattice type), 1/F∝eγz, where γ is a function of the normalized standard deviation of the pore radius distribution of macro-pore system and z is the coordination number of macro-pore system. This relationship is different from the classic "universal power law" in percolation theory. A formation factor model was inferred on the basis of the scaling relationship mentioned above and several scale-invariant quantities (such as hydraulic radius rH and throat length l of macro-pore). Several methods were developed to estimate corresponding parameters of the new model with conventional core analyses. It was satisfactorily tested against experimental data, including some published experimental data. Furthermore, the relationship between water saturation and resistivity in dual-pore carbonates was discussed based on the new model.

  6. Warm dark matter effects in a spherical collapse model with shear and angular momentum

    NASA Astrophysics Data System (ADS)

    Marciu, Mihai

    2016-03-01

    This paper investigates the nonlinear structure formation in a spherical top-hat collapse model based on the pseudo-Newtonian approximation. The system is composed of warm dark matter and dark energy and the dynamical properties of the collapsing region are analyzed for various parametrizations of the dark matter equation of state which are in agreement with current observations. Concerning dark energy, observational constraints of the Chevallier-Polarski-Linder model and the Jassal-Bagla-Padmanabhan equation of state have been considered. During the collapse, the positive dark matter pressure leads to an increase of growth for dark matter and dark energy perturbations and an accelerated expansion for the spherical region. Hence, in the warm dark matter hypothesis, the structure formation is accelerated and the inconsistencies of the Λ CDM model at the galactic scales could be solved. The results obtained are applicable only to adiabatic warm dark matter physical models which are compatible with the pseudo-Newtonian approach.

  7. Effect of Hydrothermal Alteration on Rock Properties in Active Geothermal Setting

    NASA Astrophysics Data System (ADS)

    Mikisek, P.; Bignall, G.; Sepulveda, F.; Sass, I.

    2012-04-01

    Hydrothermal alteration records the physical-chemical changes of rock and mineral phases caused by the interaction of hot fluids and wall rock, which can impact effective permeability, porosity, thermal parameters, rock strength and other rock properties. In this project, an experimental approach has been used to investigate the effects of hydrothermal alteration on rock properties. A rock property database of contrastingly altered rock types and intensities has been established. The database details horizontal and vertical permeability, porosity, density, thermal conductivity and thermal heat capacity for ~300 drill core samples from wells THM12, THM13, THM14, THM17, THM18, THM22 and TH18 in the Wairakei-Tauhara geothermal system (New Zealand), which has been compared with observed hydrothermal alteration type, rank and intensity obtained from XRD analysis and optical microscopy. Samples were selected from clay-altered tuff and intercalated siltstones of the Huka Falls Formation, which acts as a cap rock at Wairakei-Tauhara, and tuffaceous sandstones of the Waiora Formation, which is a primary reservoir-hosting unit for lateral and vertical fluid flows in the geothermal system. The Huka Falls Formation exhibits argillic-type alteration of varying intensity, while underlying Waiora Formations exhibits argillic- and propylithic-type alteration. We plan to use a tempered triaxial test cell at hydrothermal temperatures (up to 200°C) and pressures typical of geothermal conditions, to simulate hot (thermal) fluid percolation through the rock matrix of an inferred "reservoir". Compressibility data will be obtained under a range of operating (simulation reservoir) conditions, in a series of multiple week to month-long experiments that will monitor change in permeability and rock strength accompanying advancing hydrothermal alteration intensity caused by the hot brine interacting with the rock matrix. We suggest, our work will provide new baseline information concerning fluid-rock interaction processes in geothermal reservoirs, and their effects on rock properties, that will aid improved understanding of the evolution of high-temperature geothermal systems, provide constraints to parameterization of reservoir models and assist future well planning and design through prediction of rock properties in the context of drilling strategies.

  8. Measuring the radiative properties of astrophysical matter using the Z X-ray source

    NASA Astrophysics Data System (ADS)

    Bailey, James; ZAPP Team

    2017-06-01

    The Z Astrophysical Plasma Properties (ZAPP) collaboration is staging Z experiments that simultaneously investigate multiple topics in radiative properties of hot dense matter. The four astrophysics questions presently guiding this research are: 1) Why can’t we predict the location of the convection zone base in the Sun?; 2) How does radiation transport affect spectrum formation in accretion-powered objects?; 3) Why doesn’t spectral fitting provide the correct properties for White Dwarfs?; and 4) Why can’t we predict the heating and charge state distribution in photoionized plasmas? Recent progress using Z, the most energetic x-ray source on earth, to address these questions will be described. We emphasize the first two topics. Opacity models are an essential ingredient of stellar models and are highly sophisticated, but laboratory opacity tests have only now become possible at the conditions existing inside stars. Our opacity research emphasizes measuring iron at conditions relevant to the base of the solar convection zone, where the electron temperature and density are believed to be 190 eV and 9x1022 e/cc, respectively. The results exhibit large disagreements between iron opacity measurements and models and ongoing research is aimed at testing hypotheses for this discrepancy. The second project is motivated by the fact that emission lines from L-shell ions are not observed from iron in black hole accretion disks, but are observed from silicon in x-ray binaries. These disparate observations may be explained by differences in the radiation transport within the plasmas, but models for the spectral line formation and transport in photoionized plasmas have never been tested. We investigate photoionized silicon plasmas using absorption spectroscopy to infer the plasma conditions and emission spectroscopy to determine the dependence of spectral emission on plasma column density.++Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000.

  9. Patho-physiological evaluation of Duranta erecta for the treatment of urolithiasis.

    PubMed

    Agawane, Sachin B; Gupta, Vidya S; Kulkarni, Mahesh J; Bhattacharya, Asish K; Koratkar, Santosh S; Rao, Vamkudoth Koteswara

    2018-04-07

    Urolithiasis is the third common disorder of the urinary system affecting 10-15% of the general population. In recent years, search for new antilithiatic drugs from natural sources has assumed greater importance. This study was performed to investigate the anti-urolithiatic activity of methanolic extract of Duranta erecta leaves by in vitro and in vivo analysis. The study was designed to determine presence of phytochemicals in D. erecta, its yield in percentage, antioxidant activity against 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and anti-microbial property against few bacteria. In vitro analysis was carried out study anti-urolithiatic property of D. erecta by nucleation assay and synthetic urine assay for inhibition of calcium oxalate and calcium oxalate monohydrate crystals formation. An in vivo experiment was performed on Wistar rats for confirmation of anti-urolithiatic property of D. erecta in animal model. D. erecta has the presence of primary and secondary metabolites like glycoside, saponins, sterols, flavonoids, phenols, tannins, alkaloids, carbohydrates and proteins. Methanolic extract of D. erecta gave a very good yield (60%). D. erecta proved its antioxidant potential by 93.51% inhibition of DPPH radical at a concentration of 1000 μg/mL where ascorbic showed 94.71% of DPPH radical at the same concentration. In vitro tests like nucleation assay and synthetic urine assay showed that D. erecta inhibits formation of calcium oxalate and calcium oxalate monohydrate crystals. It also showed the anti-microbial property by formation of zone of inhibition against few bacteria. An in vivo experiment on Wistar rat animal model confirmed the anti-urolithiatic property of D. erecta L. leaves extract. Based on the results, we reported that D. erecta may treat calcium oxalate crystal deposition in the kidney by preventing hyperoxaluria-induced peroxidative damage to the renal tubular membrane surface (lipid peroxidation). It has anti-microbial potential so it may also inhibit the secondary bacterial infection in kidney. Based on the data, it can be concluded that this herb can be used as a potential anti-urolithiasis agent for kidney stone removal. Copyright © 2017 Transdisciplinary University, Bangalore and World Ayurveda Foundation. Published by Elsevier B.V. All rights reserved.

  10. Quenching of Star-formation Activity of High-redshift Galaxies in Clusters and Field

    NASA Astrophysics Data System (ADS)

    Lee, Seong-Kook; Im, Myungshin; Kim, Jae-Woo; Lotz, Jennifer; McPartland, Conor; Peth, Michael; Koekemoer, Anton

    At local, galaxy properties are well known to be clearly different in different environments. However, it is still an open question how this environment-dependent trend has been shaped. We present the results of our investigation about the evolution of star-formation properties of galaxies over a wide redshift range, from z ~ 2 to z ~ 0.5, focusing its dependence on their stellar mass and environment (Lee et al. 2015). In the UKIDSS/UDS region, covering ~2800 square arcmin, we estimated photometric redshifts and stellar population properties, such as stellar masses and star-formation rates, using the deep optical and near-infrared data available in this field. Then, we identified galaxy cluster candidates within the given redshift range. Through the analysis and comparison of star-formation (SF) properties of galaxies in clusters and in field, we found interesting results regarding the evolution of SF properties of galaxies: (1) regardless of redshifts, stellar mass is a key parameter controlling quenching of star formation in galaxies; (2) At z < 1, environmental effects become important at quenching star formation regardless of stellar mass of galaxies; and (3) However, the result of the environmental quenching is prominent only for low mass galaxies (M* < 1010 M⊙) since the star formation in most of high mass galaxies are already quenched at z > 1.

  11. Faulting, fracturing and in situ stress prediction in the Ahnet Basin, Algeria — a finite element approach

    NASA Astrophysics Data System (ADS)

    Beekman, Fred; Badsi, Madjid; van Wees, Jan-Diederik

    2000-05-01

    Many low-efficiency hydrocarbon reservoirs are productive largely because effective reservoir permeability is controlled by faults and natural fractures. Accurate and low-cost information on basic fault and fracture properties, orientation in particular, is critical in reducing well costs and increasing well recoveries. This paper describes how we used an advanced numerical modelling technique, the finite element method (FEM), to compute site-specific in situ stresses and rock deformation and to predict fracture attributes as a function of material properties, structural position and tectonic stress. Presented are the numerical results of two-dimensional, plane-strain end-member FEM models of a hydrocarbon-bearing fault-propagation-fold structure. Interpretation of the modelling results remains qualitative because of the intrinsic limitations of numerical modelling; however, it still allows comparisons with (the little available) geological and geophysical data. In all models, the weak mechanical strength and flow properties of a thick shale layer (the main seal) leads to a decoupling of the structural deformation of the shallower sediments from the underlying sediments and basement, and results in flexural slip across the shale layer. All models predict rock fracturing to initiate at the surface and to expand with depth under increasing horizontal tectonic compression. The stress regime for the formation of new fractures changes from compressional to shear with depth. If pre-existing fractures exist, only (sub)horizontal fractures are predicted to open, thus defining the principal orientation of effective reservoir permeability. In models that do not include a blind thrust fault in the basement, flexural amplification of the initial fold structure generates additional fracturing in the crest of the anticline controlled by the material properties of the rocks. The folding-induced fracturing expands laterally along the stratigraphic boundaries under enhanced tectonic loading. Models incorporating a blind thrust fault correctly predict the formation of secondary syn- and anti-thetic mesoscale faults in the basement and sediments of the hanging wall. Some of these faults cut reservoir and/or seal layers, and thus may influence effective reservoir permeability and affect seal integrity. The predicted faults divide the sediments across the anticline in several compartments with different stress levels and different rock failure (and proximity to failure). These numerical model outcomes can assist classic interpretation of seismic and well bore data in search of fractured and overpressured hydrocarbon reservoirs.

  12. Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Jianbao; Ma, Zhongjun, E-mail: mzj1234402@163.com; Chen, Guanrong

    All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding ormore » deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.« less

  13. Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

    NASA Astrophysics Data System (ADS)

    Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong

    2014-06-01

    All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

  14. Probing Quark-Gluon-Plasma properties with a Bayesian model-to-data comparison

    NASA Astrophysics Data System (ADS)

    Cai, Tianji; Bernhard, Jonah; Ke, Weiyao; Bass, Steffen; Duke QCD Group Team

    2016-09-01

    Experiments at RHIC and LHC study a special state of matter called the Quark Gluon Plasma (QGP), where quarks and gluons roam freely, by colliding relativistic heavy-ions. Given the transitory nature of the QGP, its properties can only be explored by comparing computational models of its formation and evolution to experimental data. The models fall, roughly speaking, under two categories-those solely using relativistic viscous hydrodynamics (pure hydro model) and those that in addition couple to a microscopic Boltzmann transport for the later evolution of the hadronic decay products (hybrid model). Each of these models has multiple parameters that encode the physical properties we want to probe and that need to be calibrated to experimental data, a task which is computationally expensive, but necessary for the knowledge extraction and determination of the models' quality. Our group has developed an analysis technique based on Bayesian Statistics to perform the model calibration and to extract probability distributions for each model parameter. Following the previous work that applies the technique to the hybrid model, we now perform a similar analysis on a pure-hydro model and display the posterior distributions for the same set of model parameters. We also develop a set of criteria to assess the quality of the two models with respect to their ability to describe current experimental data. Funded by Duke University Goldman Sachs Research Fellowship.

  15. Evaluation of a ureteral catheter coating by means of a BioEncrustation in vitro model.

    PubMed

    Frant, M; Dayyoub, E; Bakowsky, U; Liefeith, K

    2018-05-09

    Biomaterials for applications in the urinary tract are challenged with both biofilm formation and encrustation, two highly interconnected processes. While great effort has been achieved developing promising materials there is only a limited choice of sophisticated in vitro models that are available to analyse the performance of biomaterials prior to performing delicate and expensive in vivo studies. In this study we present a complex BioEncrustation model that imitates both the processes of multi-species biofilm formation and encrustation in vitro. The resulting crystalline biofilms are compared to the deposits found on explanted ureteral stent surfaces (in vivo situation) and to deposits formed in an experimental set up that does not contain bacteria (Encrustator ® ). Further focus of this study is dedicated to employing the developed BioEncrustation model to evaluate the effect multifunctional coatings impose on the processes of biofilm formation and encrustation under in vitro conditions. The investigated TANP coating combines unspecific and broad band specific antibacterial properties with a degrading polymer matrix that is intended to inhibit crystal formation. The coating was prepared on both polyurethane and silicone tubes and the subsequent results of the in vitro BioEncrustation analyses reveal a promising potential for employing the coating to render ureteral stent surfaces more biocompatible. Copyright © 2018 Elsevier B.V. All rights reserved.

  16. A β-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils

    NASA Astrophysics Data System (ADS)

    Louros, Nikolaos N.; Baltoumas, Fotis A.; Hamodrakas, Stavros J.; Iconomidou, Vassiliki A.

    2016-02-01

    Pmel17 is a multidomain protein involved in biosynthesis of melanin. This process is facilitated by the formation of Pmel17 amyloid fibrils that serve as a scaffold, important for pigment deposition in melanosomes. A specific luminal domain of human Pmel17, containing 10 tandem imperfect repeats, designated as repeat domain (RPT), forms amyloid fibrils in a pH-controlled mechanism in vitro and has been proposed to be essential for the formation of the fibrillar matrix. Currently, no three-dimensional structure has been resolved for the RPT domain of Pmel17. Here, we examine the structure of the RPT domain by performing sequence threading. The resulting model was subjected to energy minimization and validated through extensive molecular dynamics simulations. Structural analysis indicated that the RPT model exhibits several distinct properties of β-solenoid structures, which have been proposed to be polymerizing components of amyloid fibrils. The derived model is stabilized by an extensive network of hydrogen bonds generated by stacking of highly conserved polar residues of the RPT domain. Furthermore, the key role of invariant glutamate residues is proposed, supporting a pH-dependent mechanism for RPT domain assembly. Conclusively, our work attempts to provide structural insights into the RPT domain structure and to elucidate its contribution to Pmel17 amyloid fibril formation.

  17. Diffusion Dominant Solute Transport Modelling In Deep Repository Under The Effect of Emplacement Media Degradation - 13285

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kwong, S.; Jivkov, A.P.

    2013-07-01

    Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier systemmore » will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive transport model) to examine the long term behaviour of deep geological repositories with media property change under complex geochemical conditions. (authors)« less

  18. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lu, Yu; Benson, Andrew; Mao, Yao -Yuan

    Many properties of the Milky Way's (MW) dark matter halo, including its mass-assembly history, concentration, and subhalo population, remain poorly constrained. We explore the connection between these properties of the MW and its satellite galaxy population, especially the implication of the presence of the Magellanic Clouds for the properties of the MW halo. Using a suite of high-resolution N-body simulations of MW-mass halos with a fixed finalmore » $${M}_{\\mathrm{vir}}\\sim {10}^{12.1}\\,{M}_{\\odot }$$, we find that the presence of Magellanic Cloud-like satellites strongly correlates with the assembly history, concentration, and subhalo population of the host halo, such that MW-mass systems with Magellanic Clouds have lower concentration, more rapid recent accretion, and more massive subhalos than typical halos of the same mass. Using a flexible semi-analytic galaxy formation model that is tuned to reproduce the stellar mass function of the classical dwarf galaxies of the MW with Markov-Chain Monte-Carlo, we show that adopting host halos with different mass-assembly histories and concentrations can lead to different best-fit models for galaxy-formation physics, especially for the strength of feedback. These biases arise because the presence of the Magellanic Clouds boosts the overall population of high-mass subhalos, thus requiring a different stellar-mass-to-halo-mass ratio to match the data. These biases also lead to significant differences in the mass–metallicity relation, the kinematics of low-mass satellites, the number counts of small satellites associated with the Magellanic Clouds, and the stellar mass of MW itself. Finally, observations of these galaxy properties can thus provide useful constraints on the properties of the MW halo.« less

  19. The connection between the host halo and the satellite galaxies of the Milky Way

    DOE PAGES

    Lu, Yu; Benson, Andrew; Mao, Yao -Yuan; ...

    2016-10-11

    Many properties of the Milky Way's (MW) dark matter halo, including its mass-assembly history, concentration, and subhalo population, remain poorly constrained. We explore the connection between these properties of the MW and its satellite galaxy population, especially the implication of the presence of the Magellanic Clouds for the properties of the MW halo. Using a suite of high-resolution N-body simulations of MW-mass halos with a fixed finalmore » $${M}_{\\mathrm{vir}}\\sim {10}^{12.1}\\,{M}_{\\odot }$$, we find that the presence of Magellanic Cloud-like satellites strongly correlates with the assembly history, concentration, and subhalo population of the host halo, such that MW-mass systems with Magellanic Clouds have lower concentration, more rapid recent accretion, and more massive subhalos than typical halos of the same mass. Using a flexible semi-analytic galaxy formation model that is tuned to reproduce the stellar mass function of the classical dwarf galaxies of the MW with Markov-Chain Monte-Carlo, we show that adopting host halos with different mass-assembly histories and concentrations can lead to different best-fit models for galaxy-formation physics, especially for the strength of feedback. These biases arise because the presence of the Magellanic Clouds boosts the overall population of high-mass subhalos, thus requiring a different stellar-mass-to-halo-mass ratio to match the data. These biases also lead to significant differences in the mass–metallicity relation, the kinematics of low-mass satellites, the number counts of small satellites associated with the Magellanic Clouds, and the stellar mass of MW itself. Finally, observations of these galaxy properties can thus provide useful constraints on the properties of the MW halo.« less

  20. Effect of oxiplex* films (PEO/CMC) on adhesion formation and reformation in rabbit models and on peritoneal infection in a rat model.

    PubMed

    Rodgers, K E; Schwartz, H E; Roda, N; Thornton, M; Kobak, W; diZerega, G S

    2000-04-01

    To assess the efficacy of Oxiplex (FzioMed, Inc., San Luis Obispo, CA) barriers. Film of polyethylene oxide and carboxymethylcellulose (Oxiplex) were tested for strength and tissue adherence. Films were selected for evaluation in models for biocompatability and adherence. Three films were selected for evaluation in efficacy studies, and one was evaluated for effects on bacterial peritonitis. Handling characteristics of Oxiplex film were evaluated via laparoscopy. University laboratory. Rabbits, rats, pigs. Placement of Oxiplex prototypes at the site of injury. Mechanical properties, biocompatibility, tissue adherence, adhesion development, infection potentiation, and device handling. Mechanical tests indicated that tensile strength and elongation were inversely correlated. All films tested had excellent tissue adherence properties. Selected films, based on residence time and biocompatibility, prevented adhesion formation in all animals and were highly efficacious in preventing adhesion reformation. The optimal Oxiplex prototype prevented adhesion reformation in 91% of the animals. This Oxiplex film, dyed to allow visualization, prevented adhesion reformation and did not affect bacterial peritonitis. In a laparoscopic model, the Oxiplex film, delivered in FilmSert forceps, via a 5.0-mm trocar, rapidly unfurled and could be easily applied to tissue with strong adherence. These data show development of an adhesion prevention material that is tissue adherent, can be placed via laparoscopy, and does not affect host resistance.

  1. Toward Measuring Galactic Dense Molecular Gas Properties and 3D Distribution with Hi-GAL

    NASA Astrophysics Data System (ADS)

    Zetterlund, Erika; Glenn, Jason; Maloney, Phil

    2016-01-01

    The Herschel Space Observatory's submillimeter dust continuum survey Hi-GAL provides a powerful new dataset for characterizing the structure of the dense interstellar medium of the Milky Way. Hi-GAL observed a 2° wide strip covering the entire 360° of the Galactic plane in broad bands centered at 70, 160, 250, 350, and 500 μm, with angular resolution ranging from 10 to 40 arcseconds. We are adapting a molecular cloud clump-finding algorithm and a distance probability density function distance-determination method developed for the Bolocam Galactic Plane Survey (BGPS) to the Hi-GAL data. Using these methods we expect to generate a database of 105 cloud clumps, derive distance information for roughly half the clumps, and derive precise distances for approximately 20% of them. With five-color photometry and distances, we will measure the cloud clump properties, such as luminosities, physical sizes, and masses, and construct a three-dimensional map of the Milky Way's dense molecular gas distribution.The cloud clump properties and the dense gas distribution will provide critical ground truths for comparison to theoretical models of molecular cloud structure formation and galaxy evolution models that seek to emulate spiral galaxies. For example, such models cannot resolve star formation and use prescriptive recipes, such as converting a fixed fraction of interstellar gas to stars at a specified interstellar medium density threshold. The models should be compared to observed dense molecular gas properties and galactic distributions.As a pilot survey to refine the clump-finding and distance measurement algorithms developed for BGPS, we have identified molecular cloud clumps in six 2° × 2° patches of the Galactic plane, including one in the inner Galaxy along the line of sight through the Molecular Ring and the termination of the Galactic bar and one toward the outer Galaxy. Distances have been derived for the inner Galaxy clumps and compared to Bolocam Galactic Plane Survey results. We present the pilot survey clump catalog, distances, clump properties, and a comparison to BGPS.

  2. Analysis of the Glass-Forming Ability of Fe-Er Alloys, Based on Thermodynamic Modeling

    NASA Astrophysics Data System (ADS)

    Arutyunyan, N. A.; Zaitsev, A. I.; Dunaev, S. F.; Kalmykov, K. B.; El'nyakov, D. D.; Shaposhnikov, N. G.

    2018-05-01

    The Fe-Er phase diagram and thermodynamic properties of all its phases are assessed by means of self-consistent analysis. To refine the data on phase equilibria in the Fe-Er system, an investigation is performed in the 10-40 at % range of Er concentrations. The temperature-concentration dependences of the thermodynamic properties of a melt are presented using the model of ideal associated solutions. Thermodynamic parameters of each phase are obtained, and the calculated results are in agreement with available experimental data. The correlation between the thermodynamic properties of liquid Fe-Er alloys and their tendency toward amorphization are studied. It is shown that compositions of amorphous alloys prepared by melt quenching coincide with the ranges of concentration with the predominance of Fe3Er and FeEr2 associative groups that have large negative entropies of formation.

  3. BIASES IN PHYSICAL PARAMETER ESTIMATES THROUGH DIFFERENTIAL LENSING MAGNIFICATION

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Er Xinzhong; Ge Junqiang; Mao Shude, E-mail: xer@nao.cas.cn

    2013-06-20

    We study the lensing magnification effect on background galaxies. Differential magnification due to different magnifications of different source regions of a galaxy will change the lensed composite spectra. The derived properties of the background galaxies are therefore biased. For simplicity, we model galaxies as a superposition of an axis-symmetric bulge and a face-on disk in order to study the differential magnification effect on the composite spectra. We find that some properties derived from the spectra (e.g., velocity dispersion, star formation rate, and metallicity) are modified. Depending on the relative positions of the source and the lens, the inferred results canmore » be either over- or underestimates of the true values. In general, for an extended source at strong lensing regions with high magnifications, the inferred physical parameters (e.g., metallicity) can be strongly biased. Therefore, detailed lens modeling is necessary to obtain the true properties of the lensed galaxies.« less

  4. A Drosophila model for alcohol reward

    PubMed Central

    Kaun, K.R.; Azanchi, R.; Maung, Z.; Hirsh, J.; Heberlein, U.

    2014-01-01

    The rewarding properties of drugs contribute to the development of abuse and addiction. Here we present a new assay to investigate the motivational properties of ethanol in the genetically tractable model, Drosophila melanogaster. Flies learn to associate cues with ethanol intoxication and, although transiently aversive, the experience leads to a long-lasting attraction for the ethanol-paired cue, implying that intoxication is rewarding. Temporally blocking transmission in dopaminergic neurons revealed that flies require activation of these neurons to express, but not develop, conditioned preference for ethanol-associated cues. Moreover, flies acquire, consolidate, and retrieve these rewarding memories using distinct sets of neurons of the mushroom body. Finally, mutations in scabrous, encoding a fibrinogen-related peptide that regulates Notch signaling, disrupt the formation of memories for ethanol reward. Our results thus establish that Drosophila can be useful in understanding the molecular, genetic and neural mechanisms underling the rewarding properties of ethanol. PMID:21499254

  5. Brownian dynamics simulation of sickle hemoglobin bundle formation

    NASA Astrophysics Data System (ADS)

    Liu, Ya; Gunton, James; Chakrabarti, Amit

    2010-03-01

    The physical properties of biopolymer fibers, such as their stability and degree of aggregation, are implicated in many diseases, including sickle cell anemia. The natural chirality of protofilaments plays a crucial role in the formation of sickle hemoglobin fiber which leads to the permanent blockage of microvessels. We use Brownian dynamics to investigate the kinetics of fiber aggregation. The geometrical helical structure and chirality of the filaments are modeled by anisotropic patch-like interactions. We present the kinetics of fiber formation and study the possibility of a finite critical fiber bundle size. We compare our results with various experimental and theoretical results. This work is supported by grants from the NSF and the G. Harold and Leila Y. Mathers Foundation.

  6. Hybrid network modeling and the effect of image resolution on digitally-obtained petrophysical and two-phase flow properties

    NASA Astrophysics Data System (ADS)

    Aghaei, A.

    2017-12-01

    Digital imaging and modeling of rocks and subsequent simulation of physical phenomena in digitally-constructed rock models are becoming an integral part of core analysis workflows. One of the inherent limitations of image-based analysis, at any given scale, is image resolution. This limitation becomes more evident when the rock has multiple scales of porosity such as in carbonates and tight sandstones. Multi-scale imaging and constructions of hybrid models that encompass images acquired at multiple scales and resolutions are proposed as a solution to this problem. In this study, we investigate the effect of image resolution and unresolved porosity on petrophysical and two-phase flow properties calculated based on images. A helical X-ray micro-CT scanner with a high cone-angle is used to acquire digital rock images that are free of geometric distortion. To remove subjectivity from the analyses, a semi-automated image processing technique is used to process and segment the acquired data into multiple phases. Direct and pore network based models are used to simulate physical phenomena and obtain absolute permeability, formation factor and two-phase flow properties such as relative permeability and capillary pressure. The effect of image resolution on each property is investigated. Finally a hybrid network model incorporating images at multiple resolutions is built and used for simulations. The results from the hybrid model are compared against results from the model built at the highest resolution and those from laboratory tests.

  7. Borehole measurement of the hydraulic properties of low-permeability rock

    NASA Astrophysics Data System (ADS)

    Novakowski, Kentner S.; Bickerton, Gregory S.

    1997-11-01

    Hydraulic tests conducted in low-permeability media are subject to numerous influences and processes, many of which manifest in a nonunique fashion. To explore the accuracy and meaning of the interpretation of hydraulic tests conducted under such conditions, two semianalytical models are developed in which variable well bore storage, variable temperature, and test method are considered. The formation is assumed to be of uniform permeability and uniform storativity in both models. To investigate uncertainty in the use of these models, a comparison is conducted to similar models that account for nonuniform formation properties such as finite skin, double porosity, and fractional flow. Using the models for a finite skin and double porosity as baseline cases, results show that the interpretation of slug tests are normally nonunique when tests are conducted in material of low permeability. Provided that a lower bound is defined for storativity, the uncertainty in a given interpretation conducted with the model for a uniform medium can be established by comparison with a fit to the data obtained using the model incorporating finite skin. It was also found that the degree of uncertainty can be diminished by conducting the test using an open hole period followed by a shut-in period (similar to a drill stem test). Determination of the degree of uncertainty was found to be case specific and must be defined by using at least a comparison between the model for uniform media and that for finite skin. To illustrate the use of the slug test model and determine the degree of uncertainty that will accrue with the use of that model, a field example, potentially influenced by variable well bore storage, is presented and interpreted.

  8. A model for the infrared emission from an OB star cluster environment

    NASA Technical Reports Server (NTRS)

    Leisawitz, D.

    1991-01-01

    A model for the infrared emission from the neighborhood of an OB star cluster is described. The distribution of gas and dust around the stars, properties of the dust, and the cluster and interstellar radiation fields are variable. The model can be applied to regions around clusters embedded to various degrees in their parental molecular clouds (i.e., compact H II regions, blister-type H II regions, and the tenuous H II regions ionized by naked O stars). The model is used to simulate IRAS observations of a typical blister H II region. Infrared surface brightness and spectral energy distributions are predicted and the impact of limited spatial resolution is illustrated. The model results are shown to be consistent with observations of the exemplary outer Galaxy OB cluster NGC 7380. It is planned to use the model as a diagnostic tool to probe the physical conditions and dust properties in star-formation regions and, ultimately, in an interpretation of the spectral energy distributions of spiral galaxies.

  9. A structural model of the VEGF signalling pathway: emergence of robustness and redundancy properties.

    PubMed

    Lignet, Floriane; Calvez, Vincent; Grenier, Emmanuel; Ribba, Benjamin

    2013-02-01

    The vascular endothelial growth factor (VEGF) is known as one of the main promoter of angiogenesis - the process of blood vessel formation. Angiogenesis has been recognized as a key stage for cancer development and metastasis. In this paper, we propose a structural model of the main molecular pathways involved in the endothelial cells response to VEGF stimuli. The model, built on qualitative information from knowledge databases, is composed of 38 ordinary differential equations with 78 parameters and focuses on the signalling driving endothelial cell proliferation, migration and resistance to apoptosis. Following a VEGF stimulus, the model predicts an increase of proliferation and migration capability, and a decrease in the apoptosis activity. Model simulations and sensitivity analysis highlight the emergence of robustness and redundancy properties of the pathway. If further calibrated and validated, this model could serve as tool to analyse and formulate new hypothesis on th e VEGF signalling cascade and its role in cancer development and treatment.

  10. Brown Dwarf Companion Frequencies and Dynamical Interactions

    NASA Astrophysics Data System (ADS)

    Sterzik, Michael F.; Durisen, Richard H.

    2003-06-01

    Numerical simulations are used to explore how gravitational interactions within young multiple star systems may determine the binary properties of brown dwarfs. We compare different scenarios for cluster formation and decay and find that brown dwarf binaries, although possible, generally have a low frequency. We also discuss the frequencies of brown dwarf companions to normal stars expected from these models.

  11. NMR properties of 3He-A in biaxially anisotropic aerogel

    NASA Astrophysics Data System (ADS)

    Dmitriev, V. V.; Krasnikhin, D. A.; Senin, A. A.; Yudin, A. N.

    2012-12-01

    Theoretical model of G.E. Volovik for A-like phase of 3He in aerogel suggests formation of Larkin-Imry-Ma state of Anderson-Brinkmann-Morel order parameter. Most of results of NMR studies of A-like phase are in a good agreement with this model in assumption of uniaxial anisotropy, except for some of experiments in weakly anisotropic aerogel samples. We demonstrate that these results can be described in frames of the same model in assumption of biaxial anisotropy. Parameters of anisotropy in these experiments can be determined from the NMR data.

  12. The NASTRAN user's manual (level 17.0)

    NASA Technical Reports Server (NTRS)

    1979-01-01

    NASTRAN embodies a lumped element approach, wherein the distributed physical properties of a structure are represented by a model consisting of a finite number of idealized substructures or elements that are interconnected at a finite of grid points, to which loads are applied. All input and output data pertain to the idealized structural model. The general procedures for defining structural models are described and instructions are given for each of the bulk data cards and case control cards. Additional information on the case control cards and use of parameters is included for each rigid format.

  13. Star cluster formation in a turbulent molecular cloud self-regulated by photoionization feedback

    NASA Astrophysics Data System (ADS)

    Gavagnin, Elena; Bleuler, Andreas; Rosdahl, Joakim; Teyssier, Romain

    2017-12-01

    Most stars in the Galaxy are believed to be formed within star clusters from collapsing molecular clouds. However, the complete process of star formation, from the parent cloud to a gas-free star cluster, is still poorly understood. We perform radiation-hydrodynamical simulations of the collapse of a turbulent molecular cloud using the RAMSES-RT code. Stars are modelled using sink particles, from which we self-consistently follow the propagation of the ionizing radiation. We study how different feedback models affect the gas expulsion from the cloud and how they shape the final properties of the emerging star cluster. We find that the star formation efficiency is lower for stronger feedback models. Feedback also changes the high-mass end of the stellar mass function. Stronger feedback also allows the establishment of a lower density star cluster, which can maintain a virial or sub-virial state. In the absence of feedback, the star formation efficiency is very high, as well as the final stellar density. As a result, high-energy close encounters make the cluster evaporate quickly. Other indicators, such as mass segregation, statistics of multiple systems and escaping stars confirm this picture. Observations of young star clusters are in best agreement with our strong feedback simulation.

  14. Galaxy formation in the Planck cosmology - IV. Mass and environmental quenching, conformity and clustering

    NASA Astrophysics Data System (ADS)

    Henriques, Bruno M. B.; White, Simon D. M.; Thomas, Peter A.; Angulo, Raul E.; Guo, Qi; Lemson, Gerard; Wang, Wenting

    2017-08-01

    We study the quenching of star formation as a function of redshift, environment and stellar mass in the galaxy formation simulations of Henriques et al. (2015), which implement an updated version of the Munich semi-analytic model (L-GALAXIES) on the two Millennium Simulations after scaling to a Planck cosmology. In this model, massive galaxies are quenched by active galactic nucleus (AGN) feedback depending on both black hole and hot gas mass, and hence indirectly on stellar mass. In addition, satellite galaxies of any mass can be quenched by ram-pressure or tidal stripping of gas and through the suppression of gaseous infall. This combination of processes produces quenching efficiencies which depend on stellar mass, host halo mass, environment density, distance to group centre and group central galaxy properties in ways which agree qualitatively with observation. Some discrepancies remain in dense regions and close to group centres, where quenching still seems too efficient. In addition, although the mean stellar age of massive galaxies agrees with observation, the assumed AGN feedback model allows too much ongoing star formation at late times. The fact that both AGN feedback and environmental effects are stronger in higher density environments leads to a correlation between the quenching of central and satellite galaxies which roughly reproduces observed conformity trends inside haloes.

  15. Spiral-arm instability: giant clump formation via fragmentation of a galactic spiral arm

    NASA Astrophysics Data System (ADS)

    Inoue, Shigeki; Yoshida, Naoki

    2018-03-01

    Fragmentation of a spiral arm is thought to drive the formation of giant clumps in galaxies. Using linear perturbation analysis for self-gravitating spiral arms, we derive an instability parameter and define the conditions for clump formation. We extend our analysis to multicomponent systems that consist of gas and stars in an external potential. We then perform numerical simulations of isolated disc galaxies with isothermal gas, and compare the results with the prediction of our analytic model. Our model describes accurately the evolution of the spiral arms in our simulations, even when spiral arms dynamically interact with one another. We show that most of the giant clumps formed in the simulated disc galaxies satisfy the instability condition. The clump masses predicted by our model are in agreement with the simulation results, but the growth time-scale of unstable perturbations is overestimated by a factor of a few. We also apply our instability analysis to derive scaling relations of clump properties. The expected scaling relation between the clump size, velocity dispersion, and circular velocity is slightly different from that given by the Toomre instability analyses, but neither is inconsistent with currently available observations. We argue that the spiral-arm instability is a viable formation mechanism of giant clumps in gas-rich disc galaxies.

  16. Numerical modelling of powder caking at REV scale by using DEM

    NASA Astrophysics Data System (ADS)

    Guessasma, Mohamed; Silva Tavares, Homayra; Afrassiabian, Zahra; Saleh, Khashayar

    2017-06-01

    This work deals with numerical simulation of powder caking process caused by capillary condensation phenomenon. Caking consists in unwanted agglomeration of powder particles. This process is often irreversible and not easy to predict. To reproduce mechanism involved by caking phenomenon we have used the Discrete Elements Method (DEM). In the present work, we mainly focus on the role of capillary condensation and subsequent liquid bridge formation within a granular medium exposed to fluctuations of ambient relative humidity. Such bridges cause an attractive force between particles, leading to the formation of a cake with intrinsic physicochemical and mechanical properties. By considering a Representative Elementary Volume (REV), the DEM is then performed by means of a MULTICOR-3D software tacking into account the properties of the cake (degree of saturation) in order to establish relationships between the microscopic parameters and the macroscopic behaviour (tensile strength).

  17. Low-temperature nanodoping of protonated LiNbO3 crystals by univalent ions

    NASA Astrophysics Data System (ADS)

    Borodin, Yu. V.

    2015-01-01

    In the nanocomposite model developed here, crystals are treated as subordinate aggregate of pro- ton-selected structural elements, their blocks, and proton-containing quantum sublattices with preferred transport effects separating them. The formation of stratified reversible hexagonal structures is accompanied with protonation and formation of a dense network of H-bonds ensuring the nanocomposite properties. Nanodoping with H+ ions occurs during processing of crystals and glasses in melts as well as in aqueous solutions of Ag, Tl, Rb, and Cs salts. The isotope exchange H+ ↔ D+ and ion exchange H+ ↔ M+ lead to nanodoping of protonated materials with D+ and M+ ions. This is manifested especially clearly in Li-depleted nonequilibrium LiNbO3 and LiTaO3 crystals. Low-temperature proton-ion nanodoping over superlattices is a basically new approach to analysis of the structure and properties of extremely nonequilibrium materials.

  18. Physical Properties of Massive, Star-Forming Galaxies When the Universe Was Only Two Billion Years Old

    NASA Astrophysics Data System (ADS)

    Fu, Nicole Christina

    Due to the finite speed of light and a vast, expanding universe, telescopes are just now receiving the light emitted by galaxies as they were forming in the very early universe. The light from these galaxies has been redshifted (stretched to longer, redder wavelengths) as a result of its journey through expanding space. Using sophisticated techniques and exceptional multi-wavelength optical and infrared data, we isolate a population of 378 galaxies in the process of formation when the Universe was only two billion years old. By matching the distinctive properties of the light spectra of these galaxies to models, the redshift, age, dust content, star formation rate and total stellar mass of each galaxy are determined. Comparing our results to similar surveys of galaxy populations at other redshifts, a picture emerges of the growth and evolution of massive, star-forming galaxies over the course of billions of years.

  19. Expansion and internal friction in unfolded protein chain.

    PubMed

    Yasin, U Mahammad; Sashi, Pulikallu; Bhuyan, Abani K

    2013-10-10

    Similarities in global properties of homopolymers and unfolded proteins provide approaches to mechanistic description of protein folding. Here, hydrodynamic properties and relaxation rates of the unfolded state of carbonmonoxide-liganded cytochrome c (cyt-CO) have been measured using nuclear magnetic resonance and laser photolysis methods. Hydrodynamic radius of the unfolded chain gradually increases as the solvent turns increasingly better, consistent with theory. Curiously, however, the rate of intrachain contact formation also increases with an increasing denaturant concentration, which, by Szabo, Schulten, and Schulten theory for the rate of intramolecular contact formation in a Gaussian polymer, indicates growing intramolecular diffusion. It is argued that diminishing nonbonded atom interactions with increasing denaturant reduces internal friction and, thus, increases the rate of polypeptide relaxation. Qualitative scaling of the extent of unfolding with nonbonded repulsions allows for description of internal friction by a phenomenological model. The degree of nonbonded atom interactions largely determines the extent of internal friction.

  20. Weak Lensing Peaks in Simulated Light-Cones: Investigating the Coupling between Dark Matter and Dark Energy

    NASA Astrophysics Data System (ADS)

    Giocoli, Carlo; Moscardini, Lauro; Baldi, Marco; Meneghetti, Massimo; Metcalf, Robert B.

    2018-05-01

    In this paper, we study the statistical properties of weak lensing peaks in light-cones generated from cosmological simulations. In order to assess the prospects of such observable as a cosmological probe, we consider simulations that include interacting Dark Energy (hereafter DE) models with coupling term between DE and Dark Matter. Cosmological models that produce a larger population of massive clusters have more numerous high signal-to-noise peaks; among models with comparable numbers of clusters those with more concentrated haloes produce more peaks. The most extreme model under investigation shows a difference in peak counts of about 20% with respect to the reference ΛCDM model. We find that peak statistics can be used to distinguish a coupling DE model from a reference one with the same power spectrum normalisation. The differences in the expansion history and the growth rate of structure formation are reflected in their halo counts, non-linear scale features and, through them, in the properties of the lensing peaks. For a source redshift distribution consistent with the expectations of future space-based wide field surveys, we find that typically seventy percent of the cluster population contributes to weak-lensing peaks with signal-to-noise ratios larger than two, and that the fraction of clusters in peaks approaches one-hundred percent for haloes with redshift z ≤ 0.5. Our analysis demonstrates that peak statistics are an important tool for disentangling DE models by accurately tracing the structure formation processes as a function of the cosmic time.

  1. Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method

    PubMed Central

    Leyde, Brian P.; Klein, Sanford A; Nellis, Gregory F.; Skye, Harrison

    2017-01-01

    This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model. PMID:28785125

  2. Annealing effect on thermodynamic and physical properties of mesoporous silicon: A simulation and nitrogen sorption study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kumar, Pushpendra, E-mail: pkumar-iitd@yahoo.com; Huber, Patrick, E-mail: patrick.huber@tuhh.de

    Discovery of porous silicon formation in silicon substrate in 1956 while electro-polishing crystalline Si in hydrofluoric acid (HF), has triggered large scale investigations of porous silicon formation and their changes in physical and chemical properties with thermal and chemical treatment. A nitrogen sorption study is used to investigate the effect of thermal annealing on electrochemically etched mesoporous silicon (PS). The PS was thermally annealed from 200°C to 800°C for 1 hr in the presence of air. It was shown that the pore diameter and porosity of PS vary with annealing temperature. The experimentally obtained adsorption / desorption isotherms show hysteresis typicalmore » for capillary condensation in porous materials. A simulation study based on Saam and Cole model was performed and compared with experimentally observed sorption isotherms to study the physics behind of hysteresis formation. We discuss the shape of the hysteresis loops in the framework of the morphology of the layers. The different behavior of adsorption and desorption of nitrogen in PS with pore diameter was discussed in terms of concave menisci formation inside the pore space, which was shown to related with the induced pressure in varying the pore diameter from 7.2 nm to 3.4 nm.« less

  3. Simulated digestion of Vitis vinifera seed powder: polyphenolic content and antioxidant properties.

    PubMed

    Janisch, Kerstin M; Olschläger, Carolin; Treutter, Dieter; Elstner, Erich F

    2006-06-28

    There is increasing evidence that reactive oxygen species arising from several enzymatic reactions are mediators of inflammatory events. Plant preparations have the potential for scavenging such reactive oxygen species. Flavans and procyanidins are bioavailable and stable during the process of cooking. This study used conditions that mimicked digestion of Vitis vinifera seed powder in the stomach (acidic preparation) and small intestine (neutral preparation). The flavonoids of these two preparations were released during simulated digestion and were determined with HPLC analysis. Biochemical model reactions relevant for the formation of reactive oxygen species in vivo at inflammatory sites were used to determine the antioxidant properties of the two preparations. The inhibition of the indicator reaction for the formation of reactive oxygen species represents a potential mechanism of the physiological activity of the corresponding preparation. The results of this work show clearly that the polyphenols released during the simulated digestion of the two preparations have good scavenging potential against superoxide radicals, hydroxyl radicals, and singlet oxygen. They protect low-density lipoprotein against copper-induced oxidation due to the copper-chelating properties and their chain-breaking abilities in lipid peroxidation.

  4. CD24 negative lung cancer cells, possessing partial cancer stem cell properties, cannot be considered as cancer stem cells.

    PubMed

    Xu, Haineng; Mu, Jiasheng; Xiao, Jing; Wu, Xiangsong; Li, Maolan; Liu, Tianrun; Liu, Xinyuan

    2016-01-01

    Cancer stem cells (CSCs) play vital role in lung cancer progression, resistance, metastasis and relapse. Identifying lung CSCs makers for lung CSCs targeting researches are critical for lung cancer therapy. In this study, utilizing previous identified lung CSCs as model, we compared the expression of CD24, CD133 and CD44 between CSCs and non-stem cancer cells. Increased ratio of CD24- cells were found in CSCs. CD24- cells were then sorted by flow cytometry and their proliferative ability, chemo-resistance property and in vivo tumor formation abilities were detected. A549 CD24- cells formed smaller colonies, slower proliferated in comparison to A549 CD24+ cells. Besides, A549 CD24- exhibited stronger resistance to chemotherapy drug. However, A549 CD24- didn't exert any stronger tumor formation ability in vivo, which is the gold standard of CSCs. These results showed that CD24- A549 cells showed some properties of CSCs but not actually CSCs. This study provides evidence that CD24 cannot be considered as lung CSCs marker.

  5. Scanning tunneling microscopy of the formation, transformation, and property of oligothiophene self-organizations on graphite and gold surfaces.

    PubMed

    Yang, Zhi-Yong; Zhang, Hui-Min; Yan, Cun-Ji; Li, Shan-Shan; Yan, Hui-Juan; Song, Wei-Guo; Wan, Li-Jun

    2007-03-06

    Two alkyl-substituted dual oligothiophenes, quarterthiophene (4T)-trimethylene (tm)-octithiophene (8T) and 4T-tm-4T, were used to fabricate molecular structures on highly oriented pyrolytic graphite and Au(111) surfaces. The resulted structures were investigated by scanning tunneling microscopy. The 4T-tm-8T and 4T-tm-4T molecules self-organize into long-range ordered structures with linear and/or quasi-hexagonal patterns on highly oriented pyrolytic graphite at ambient temperature. Thermal annealing induced a phase transformation from quasi-hexagonal to linear in 4T-tm-8T adlayer. The molecules adsorbed on Au(111) surface in randomly folded and linear conformation. Based on scanning tunneling microscopy results, the structural models for different self-organizations were proposed. Scanning tunneling spectroscopy measurement showed the electronic property of individual molecules in the patterns. These results are significant in understanding the chemistry of molecular structure, including its formation, transformation, and electronic properties. They also help to fabricate oligothiophene assemblies with desired structures for future molecular devices.

  6. Semi-empirical long-term cycle life model coupled with an electrolyte depletion function for large-format graphite/LiFePO4 lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Park, Joonam; Appiah, Williams Agyei; Byun, Seoungwoo; Jin, Dahee; Ryou, Myung-Hyun; Lee, Yong Min

    2017-10-01

    To overcome the limitation of simple empirical cycle life models based on only equivalent circuits, we attempt to couple a conventional empirical capacity loss model with Newman's porous composite electrode model, which contains both electrochemical reaction kinetics and material/charge balances. In addition, an electrolyte depletion function is newly introduced to simulate a sudden capacity drop at the end of cycling, which is frequently observed in real lithium-ion batteries (LIBs). When simulated electrochemical properties are compared with experimental data obtained with 20 Ah-level graphite/LiFePO4 LIB cells, our semi-empirical model is sufficiently accurate to predict a voltage profile having a low standard deviation of 0.0035 V, even at 5C. Additionally, our model can provide broad cycle life color maps under different c-rate and depth-of-discharge operating conditions. Thus, this semi-empirical model with an electrolyte depletion function will be a promising platform to predict long-term cycle lives of large-format LIB cells under various operating conditions.

  7. Pattern formation of frictional fingers in a gravitational potential

    NASA Astrophysics Data System (ADS)

    Eriksen, Jon Alm; Toussaint, Renaud; Mâløy, Knut Jørgen; Flekkøy, Eirik; Galland, Olivier; Sandnes, Bjørnar

    2018-01-01

    Aligned finger structures, with a characteristic width, emerge during the slow drainage of a liquid-granular mixture in a tilted Hele-Shaw cell. A transition from vertical to horizontal alignment of the finger structures is observed as the tilting angle and the granular density are varied. An analytical model is presented, demonstrating that the alignment properties are the result of the competition between fluctuating granular stresses and the hydrostatic pressure. The dynamics is reproduced in simulations. We also show how the system explains patterns observed in nature, created during the early stages of a dike formation.

  8. EBR-II and TREAT Digitization Project

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Griffith, George W.; Rabiti, Cristian

    2015-09-01

    Digitizing the technical drawings for EBR-II and TREAT provides multiple benefits. Moving the scanned or hard copy drawings to modern 3-D CAD (Computer Aided Drawing) format saves data that could be lost over time. The 3-D drawings produce models that can interface with other drawings to make complex assemblies. The 3-D CAD format can also include detailed material properties and parametric coding that can tie critical dimensions together allowing easier modification. Creating the new files from the old drawings has found multiple inconsistencies that are being flagged or corrected improving understanding of the reactor(s).

  9. Contrail Formation in Aircraft Wakes Using Large-Eddy Simulations

    NASA Technical Reports Server (NTRS)

    Paoli, R.; Helie, J.; Poinsot, T. J.; Ghosal, S.

    2002-01-01

    In this work we analyze the issue of the formation of condensation trails ("contrails") in the near-field of an aircraft wake. The basic configuration consists in an exhaust engine jet interacting with a wing-tip training vortex. The procedure adopted relies on a mixed Eulerian/Lagrangian two-phase flow approach; a simple micro-physics model for ice growth has been used to couple ice and vapor phases. Large eddy simulations have carried out at a realistic flight Reynolds number to evaluate the effects of turbulent mixing and wake vortex dynamics on ice-growth characteristics and vapor thermodynamic properties.

  10. A catalytic surface for amyloid fibril formation

    NASA Astrophysics Data System (ADS)

    Hammarström, P.; Ali, M. M.; Mishra, R.; Svensson, S.; Tengvall, P.; Lundström, I.

    2008-03-01

    A hydrophobic surface incubated in a solution of protein molecules (insulin monomers) was made into a catalytic surface for amyloid fibril formation by repeatedly incubate, rinse and dry the surface. The present contribution describes how this unexpected transformation occurred and its relation to rapid fibrillation of insulin solutions in contact with the surface. A tentative model of the properties of the catalytic surface is given, corroborated by ellipsometric measurements of the thickness of the organic layer on the surface and by atomic force microscopy. The surfaces used were spontaneously oxidized silicon made hydrophobic through treatment in dichlorodimethylsilane.

  11. Black Lipid Membranes at Bifaces

    PubMed Central

    Ti Tien, H.

    1968-01-01

    Black lipid membranes (BLM) less than 90 A thick have been shown to be the most realistic approach to biological membrane models. This paper describes the formation characteristics, optical properties, and thermodynamics of BLM at water/oil/water bifaces. In particular, the nature of the Plateau-Gibbs border which supports the black membrane is analyzed in some detail. The formation of BLM at the biface involves a spontaneous reduction of the free energy of the system. As long as the integrity of the membrane is maintained, the limiting structure of the BLM represents the lowest free energy configuration. PMID:19873618

  12. A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

    NASA Astrophysics Data System (ADS)

    Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

    2017-07-01

    We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

  13. Stability of Inhomogeneous Equilibria of Hamiltonian Continuous Media Field Theories

    NASA Astrophysics Data System (ADS)

    Hagstrom, George

    2013-10-01

    There are a wide variety of 1 + 1 Hamiltonian continuous media field theories that exhibit phase space pattern formation. In plasma physics, the most famous of these is the Vlasov-Poisson equation, but other examples include the incompressible Euler equation in two-dimensions and the Hamiltonian Mean Field (or XY) model. One of the characteristic phenomenon that occurs in systems described by these equations is the formation of cat's eye patterns in phase space as a result of the nonlinear saturation of instabilities. Corresponding to each of these cat's eyes is a spatially inhomogeneous equilibrium solution of the underlying model, in plasma physics these are called BGK modes, but analogous solutions exist in all of the above systems. Here we analyze the stability of inhomogeneous equilibria in the Hamiltonian Mean Field model and in the Single Wave model, which is an equation that was derived to provide a model of the formation of electron holes in plasmas. We use action angle variables and the properties of elliptic functions to analyze the resulting dispersion relation construct linearly stable inhomogeneous equilibria for in the limit of small numbers of particles and study the behavior of solutions near these equilibria. Work supported by USDOE grant no. DE-FG02-ER53223.

  14. Thermodynamics of concentrated solid solution alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, Michael C.; Zhang, C.; Gao, P.

    This study reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation drivingmore » force plots of the σ phase using CALPHAD method. The temperature-dependent total entropies of the FCC, BCC, HCP, and σ phases in equimolar compositions of various systems are presented next, followed by the thermodynamic properties of mixing of the BCC phase in Al-containing and Ti-containing refractory metal systems. First-principles calculations on model FCC, BCC and HCP CSSA reveal the presence of both positive and negative vibrational entropies of mixing, while the calculated electronic entropies of mixing are negligible. Temperature dependent configurational entropy is determined from the atomic structures obtained from MC/MD simulations. Current status and challenges in using these methodologies as they pertain to thermodynamic property analysis and CSSA design are discussed.« less

  15. Thermodynamics of concentrated solid solution alloys

    DOE PAGES

    Gao, Michael C.; Zhang, C.; Gao, P.; ...

    2017-10-12

    This study reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation drivingmore » force plots of the σ phase using CALPHAD method. The temperature-dependent total entropies of the FCC, BCC, HCP, and σ phases in equimolar compositions of various systems are presented next, followed by the thermodynamic properties of mixing of the BCC phase in Al-containing and Ti-containing refractory metal systems. First-principles calculations on model FCC, BCC and HCP CSSA reveal the presence of both positive and negative vibrational entropies of mixing, while the calculated electronic entropies of mixing are negligible. Temperature dependent configurational entropy is determined from the atomic structures obtained from MC/MD simulations. Current status and challenges in using these methodologies as they pertain to thermodynamic property analysis and CSSA design are discussed.« less

  16. Black Sea thermohaline properties: Long‐term trends and variations

    PubMed Central

    Stips, A.; Garcia‐Gorriz, E.; Macias Moy, D.

    2017-01-01

    Abstract The current knowledge about spatial and temporal dynamics of the Black Sea's thermohaline structure is incomplete because of missing data and sparse distribution of existing measurements in space and time. This study presents 56 year continuous simulations of the Black Sea's hydrodynamics using the 3D General Estuarine Transport Model (GETM), without incorporating any relaxation toward climatological or observational data fields. This property of the model allows us to estimate independent temporal trends, in addition to resolving the spatial structure. The simulations suggest that the intermediate layer temperature is characterized by a weak positive trend (warming), whereas the surface temperature does not show a clear linear trend. Different salinity trends have been established at the surface (negative), upper (weaker negative) and main halocline (positive). Three distinct dynamic periods are identified (1960–1970, 1970–1995, 1995–2015), which exhibit pronounced changes in the Black Sea's thermohaline properties and basin circulation. Strengthening of the main cyclonic circulation, accompanied by intensification of the mesoscale anticyclonic eddy formation is found. Both events strongly affect the sea surface salinity but contribute in opposing directions. Specifically, strong composite large‐scale circulation leads to an increase in sea surface salinity, while enhanced formation of mesoscale anticyclones decreases it. Salinity evolution with time is thus the result of the competition of these two opposing yet interdependent processes. PMID:28989833

  17. Do You See What I See? Exploring the Consequences of Luminosity Limits in Black Hole-Galaxy Evolution Studies

    NASA Astrophysics Data System (ADS)

    Jones, Mackenzie L.; Hickox, Ryan C.; Mutch, Simon J.; Croton, Darren J.; Ptak, Andrew F.; DiPompeo, Michael A.

    2017-07-01

    In studies of the connection between active galactic nuclei (AGNs) and their host galaxies, there is widespread disagreement on some key aspects of the connection. These disagreements largely stem from a lack of understanding of the nature of the full underlying AGN population. Recent attempts to probe this connection utilize both observations and simulations to correct for a missed population, but presently are limited by intrinsic biases and complicated models. We take a simple simulation for galaxy evolution and add a new prescription for AGN activity to connect galaxy growth to dark matter halo properties and AGN activity to star formation. We explicitly model selection effects to produce an “observed” AGN population for comparison with observations and empirically motivated models of the local universe. This allows us to bypass the difficulties inherent in models that attempt to infer the AGN population by inverting selection effects. We investigate the impact of selecting AGNs based on thresholds in luminosity or Eddington ratio on the “observed” AGN population. By limiting our model AGN sample in luminosity, we are able to recreate the observed local AGN luminosity function and specific star formation-stellar mass distribution, and show that using an Eddington ratio threshold introduces less bias into the sample by selecting the full range of growing black holes, despite the challenge of selecting low-mass black holes. We find that selecting AGNs using these various thresholds yield samples with different AGN host galaxy properties.

  18. The stellar content of the nuclear regions of Sc galaxies

    NASA Technical Reports Server (NTRS)

    Turnrose, B. E.

    1976-01-01

    Stellar-population syntheses based on absolute spectral energy distributions over the wavelength range from 3300 to 10,400 A are used to determine the stellar content of the nuclear regions of seven nearby Sc galaxies (NGC 628, 1073, 1084, 1637, 2903, 4321, and 5194). A linear-programming procedure is employed to construct models of the overall stellar populations whose spectra closely match those of the seven galaxies. Absolute measurements of the emission-line spectra of the nuclear regions are also provided. It is found that: (1) intrinsic reddening is probably present in each nuclear region; (2) the upper main sequence is substantially populated in most of the models; (3) the lower main sequence contributes insignificantly to the luminosity in all optimal solutions; (4) substantial contributions are made by evolved M stars at long wavelengths in all the models; (5) the model photometric M/L ratios are low, of the order of unity; and (6) the O-B stars arising naturally in the population models are just sufficient to provide the observed nuclear ionization in all the galaxies except NGC 5194, which may be collisionally ionized. The properties of the nuclear regions are shown to be consistent with the existence of a common initial mass function for star formation and a variety of time dependences for the star-formation process. A possibly significant correlation is noted between nuclear stellar content and overall dynamical properties in four of the galaxies.

  19. Models of the earth's core

    NASA Technical Reports Server (NTRS)

    Stevenson, D. J.

    1981-01-01

    Combined inferences from seismology, high-pressure experiment and theory, geomagnetism, fluid dynamics, and current views of terrestrial planetary evolution lead to models of the earth's core with five basic properties. These are that core formation was contemporaneous with earth accretion; the core is not in chemical equilibrium with the mantle; the outer core is a fluid iron alloy containing significant quantities of lighter elements and is probably almost adiabatic and compositionally uniform; the more iron-rich inner solid core is a consequence of partial freezing of the outer core, and the energy release from this process sustains the earth's magnetic field; and the thermodynamic properties of the core are well constrained by the application of liquid-state theory to seismic and labroatory data.

  20. Input guide for computer programs to generate thermodynamic data for air and Freon CF4

    NASA Technical Reports Server (NTRS)

    Tevepaugh, J. A.; Penny, M. M.; Baker, L. R., Jr.

    1975-01-01

    FORTRAN computer programs were developed to calculate the thermodynamic properties of Freon 14 and air for isentropic expansion from given plenum conditions. Thermodynamic properties for air are calculated with equations derived from the Beattie-Bridgeman nonstandard equation of state and, for Freon 14, with equations derived from the Redlich-Quang nonstandard equation of state. These two gases are used in scale model testing of model rocket nozzle flow fields which requires simulation of the prototype plume shape with a cold flow test approach. Utility of the computer programs for use in analytical prediction of flow fields is enhanced by arranging card or tape output of the data in a format compatible with a method-of-characteristics computer program.

  1. On the matter of synovial fluid lubrication: implications for Metal-on-Metal hip tribology.

    PubMed

    Myant, Connor; Cann, Philippa

    2014-06-01

    Artificial articular joints present an interesting, and difficult, tribological problem. These bearing contacts undergo complex transient loading and multi axes kinematic cycles, over extremely long periods of time (>10 years). Despite extensive research, wear of the bearing surfaces, particularly metal-metal hips, remains a major problem. Comparatively little is known about the prevailing lubrication mechanism in artificial joints which is a serious gap in our knowledge as this determines film formation and hence wear. In this paper we review the accepted lubrication models for artificial hips and present a new concept to explain film formation with synovial fluid. This model, recently proposed by the authors, suggests that interfacial film formation is determined by rheological changes local to the contact and is driven by aggregation of synovial fluid proteins. The implications of this new mechanism for the tribological performance of new implant designs and the effect of patient synovial fluid properties are discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Dynamical Scaling Relations and the Angular Momentum Problem in the FIRE Simulations

    NASA Astrophysics Data System (ADS)

    Schmitz, Denise; Hopkins, Philip F.; Quataert, Eliot; Keres, Dusan; Faucher-Giguere, Claude-Andre

    2015-01-01

    Simulations are an extremely important tool with which to study galaxy formation and evolution. However, even state-of-the-art simulations still fail to accurately predict important galaxy properties such as star formation rates and dynamical scaling relations. One possible explanation is the inadequacy of sub-grid models to capture the range of stellar feedback mechanisms which operate below the resolution limit of simulations. FIRE (Feedback in Realistic Environments) is a set of high-resolution cosmological galaxy simulations run using the code GIZMO. It includes more realistic models for various types of feedback including radiation pressure, supernovae, stellar winds, and photoionization and photoelectric heating. Recent FIRE results have demonstrated good agreement with the observed stellar mass-halo mass relation as well as more realistic star formation histories than previous simulations. We investigate the effects of FIRE's improved feedback prescriptions on the simulation "angular momentum problem," i.e., whether FIRE can reproduce observed scaling relations between galaxy stellar mass and rotational/dispersion velocities.

  3. Modeling corona sheath dynamics and effects

    NASA Astrophysics Data System (ADS)

    Carlson, B.; Lehtinen, N. G.

    2016-12-01

    The conductive lightning channel is only a centimeter or so in diameter, but charge deposited along such a narrow channel produces a large electric field that drives corona discharge in nearby air, carrying the charge outward several meters. The formation of this "corona sheath" affects a wide range of observable properties of lightning, including the overall charge carried by the channel, the shape, speed, and attenuation of impulsive currents, and the possibility of x-ray production. Simplified electrostatic and electrodynamic models of the formation of the sheath will be discussed, with results given including regions near the tip of a hypothetical channel. These results suggest that the sheath initially expands very rapidly, limiting the lifetime of the intense fields nearest the channel. The expansion gradually slows as the fields decrease, but under certain circumstances a large-scale streamer-like process can lead to enhancement of electric fields displaced from the tip of the channel, possibly suggesting a mechanism for space stem formation and leader stepping.

  4. The Formation of Coronal Loops by Thermal Instability in Three Dimensions

    NASA Technical Reports Server (NTRS)

    Mok, Yung; Mikic, Zoran; Lionello, Roberto; Linker, Jon A.

    2008-01-01

    Plasma loops in solar active regions have been observed in EUV and soft X-rays for decades. Their formation mechanism and properties, however, are still not fully understood. Predictions by early models, based on 1D hydrostatic equilibria with uniform plasma heating, are not consistent with high-resolution measurements. In this Letter, we demonstrate, via 3D simulations, that a class of heating models can lead to the dynamic formation of plasma loops provided the plasma is heated sufficiently to match SXT soft X-ray measurements. We show that individual flux tubes in a 3D magnetic structure tend to stand out against their neighbors. The loops have large aspect ratios and nearly uniform cross sections in the corona, similar to those observed by EIT and TRACE. The coronal EUV emission from these thermally unstable solutions is roughly consistent with EIT measurements. The solution oscillates in time through a large-amplitude, nonlinear cycle, leading to repeated brightening and fading of the loops.

  5. Modeling the formation of cell-matrix adhesions on a single 3D matrix fiber.

    PubMed

    Escribano, J; Sánchez, M T; García-Aznar, J M

    2015-11-07

    Cell-matrix adhesions are crucial in different biological processes like tissue morphogenesis, cell motility, and extracellular matrix remodeling. These interactions that link cell cytoskeleton and matrix fibers are built through protein clutches, generally known as adhesion complexes. The adhesion formation process has been deeply studied in two-dimensional (2D) cases; however, the knowledge is limited for three-dimensional (3D) cases. In this work, we simulate different local extracellular matrix properties in order to unravel the fundamental mechanisms that regulate the formation of cell-matrix adhesions in 3D. We aim to study the mechanical interaction of these biological structures through a three dimensional discrete approach, reproducing the transmission pattern force between the cytoskeleton and a single extracellular matrix fiber. This numerical model provides a discrete analysis of the proteins involved including spatial distribution, interaction between them, and study of the different phenomena, such as protein clutches unbinding or protein unfolding. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Simulating the Effects of Semivolatile Compounds on Cloud Processing of Aerosol

    NASA Astrophysics Data System (ADS)

    Kokkola, H.; Kudzotsa, I.; Tonttila, J.; Raatikainen, T.; Romakkaniemi, S.

    2017-12-01

    Aerosol removal processes largely dictate how well aerosol is transported in the atmosphere and thus the aerosol load over remote regions depends on how effectively aerosol is removed during its transport from the source regions. This means that in order to model the global distribution aerosol, both in vertical and horizontal, wet deposition processes have to be properly modelled. However, in large scale models, the description of wet removal and the vertical redistribution of aerosol by cloud processes is often extremely simplified.Here we present a novel aerosol-cloud model SALSA, where the aerosol properties are tracked through different cloud processes. These processes include: cloud droplet activation, precipitation formation, ice nucleation, melting, and evaporation. It is a sectional model that includes separate size sections for non-activated aerosol, cloud droplets, precipitation droplets, and ice crystals. The aerosol-cloud model was coupled to a large eddy model UCLALES which simulates the boundary-layer dynamics. In this study, the model has been applied in studying the wet removal as well as interactions between aerosol, clouds, and semi-volatile compounds, ammonia and nitric acid. These semi-volative compounds are special in the sense that they co-condense together with water during cloud activation and have been suggested to form droplets that can be considered cloud-droplet-like already in subsaturated conditions. In our model, we calculate the kinetic partitioning of ammonia and sulfate thus explicitly taking into account the effect of ammonia and nitric acid in the cloud formation. Our simulations indicate that especially in polluted conditions, these compounds significantly affect the properties of cloud droplets thus significantly affecting the lifecycle of different aerosol compounds.

  7. Deriving Physical Properties from Broadband Photometry with Prospector: Description of the Model and a Demonstration of its Accuracy Using 129 Galaxies in the Local Universe

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Leja, Joel; Johnson, Benjamin D.; Conroy, Charlie

    2017-03-10

    Broadband photometry of galaxies measures an unresolved mix of complex stellar populations, gas, and dust. Interpreting these data is a challenge for models: many studies have shown that properties derived from modeling galaxy photometry are uncertain by a factor of two or more, and yet answering key questions in the field now requires higher accuracy than this. Here, we present a new model framework specifically designed for these complexities. Our model, Prospector- α , includes dust attenuation and re-radiation, a flexible attenuation curve, nebular emission, stellar metallicity, and a six-component nonparametric star formation history. The flexibility and range of themore » parameter space, coupled with Monte Carlo Markov chain sampling within the Prospector inference framework, is designed to provide unbiased parameters and realistic error bars. We assess the accuracy of the model with aperture-matched optical spectroscopy, which was excluded from the fits. We compare spectral features predicted solely from fits to the broadband photometry to the observed spectral features. Our model predicts H α luminosities with a scatter of ∼0.18 dex and an offset of ∼0.1 dex across a wide range of morphological types and stellar masses. This agreement is remarkable, as the H α luminosity is dependent on accurate star formation rates, dust attenuation, and stellar metallicities. The model also accurately predicts dust-sensitive Balmer decrements, spectroscopic stellar metallicities, polycyclic aromatic hydrocarbon mass fractions, and the age- and metallicity-sensitive features D{sub n}4000 and H δ . Although the model passes all these tests, we caution that we have not yet assessed its performance at higher redshift or the accuracy of recovered stellar masses.« less

  8. Quenching of Star-formation Activity of High-redshift Galaxies in Cluster and Field

    NASA Astrophysics Data System (ADS)

    Lee, Seong-Kook; Im, Myungshin; Kim, Jae-Woo; Lotz, Jennifer; McPartland, Conor; Peth, Michael; Koekemoer, Anton M.

    2015-08-01

    How the galaxy evolution differs at different environment is one of intriguing questions in the study of structure formation. At local, galaxy properties are well known to be clearly different in different environments. However, it is still an open question how this environment-dependent trend has been shaped.In this presentation, we will present the results of our investigation about the evolution of star-formation properties of galaxies over a wide redshift range, from z~ 2 to z~0.5, focusing its dependence on their stellar mass and environment. In the UKIDSS/UDS region, covering ~2800 arcmin2, we estimated photometric redshifts and stellar population properties, such as stellar masses and star-formation rates, using the deep optical and near-infrared data available in this field. Then, we identified galaxy cluster candidates within the given redshift range.Through the analysis and comparison of star-formation (SF) properties of galaxies in clusters and in field, we found interesting results regarding the evolution of SF properties of galaxies: (1) regardless of redshifts, stellar mass is a key parameter controlling quenching of star formation in galaxies; (2) At z<1, environmental effects become important at quenching star formation regardless of stellar mass of galaxies; and (3) However, the result of the environmental quenching is prominent only for low mass galaxies (M* < 1010 M⊙) since the star formation in most of high mass galaxies are already quenched at z > 1.

  9. A dynamical model for gas flows, star formation and nuclear winds in galactic centres

    NASA Astrophysics Data System (ADS)

    Krumholz, Mark R.; Kruijssen, J. M. Diederik; Crocker, Roland M.

    2017-04-01

    We present a dynamical model for gas transport, star formation and winds in the nuclear regions of galaxies, focusing on the Milky Way's Central Molecular Zone (CMZ). In our model angular momentum and mass are transported by a combination of gravitational and bar-driven acoustic instabilities. In gravitationally unstable regions the gas can form stars, and the resulting feedback drives both turbulence and a wind that ejects mass from the CMZ. We show that the CMZ is in a quasi-steady state where mass deposited at large radii by the bar is transported inwards to a star-forming, ring-shaped region at ˜100 pc from the Galactic Centre, where the shear reaches a minimum. This ring undergoes episodic starbursts, with bursts lasting ˜5-10 Myr occurring at ˜20-40 Myr intervals. During quiescence the gas in the ring is not fully cleared, but is driven out of a self-gravitating state by the momentum injected by expanding supernova remnants. Starbursts also drive a wind off the star-forming ring, with a time-averaged mass flux comparable to the star formation rate. We show that our model agrees well with the observed properties of the CMZ, and places it near a star formation minimum within the evolutionary cycle. We argue that such cycles of bursty star formation and winds should be ubiquitous in the nuclei of barred spiral galaxies, and show that the resulting distribution of galactic nuclei on the Kennicutt-Schmidt relation is in good agreement with that observed in nearby galaxies.

  10. New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

    NASA Astrophysics Data System (ADS)

    Olenius, Tinja; Halonen, Roope; Kurtén, Theo; Henschel, Henning; Kupiainen-Määttä, Oona; Ortega, Ismael K.; Jen, Coty N.; Vehkamäki, Hanna; Riipinen, Ilona

    2017-07-01

    Amines are bases that originate from both anthropogenic and natural sources, and they are recognized as candidates to participate in atmospheric aerosol particle formation together with sulfuric acid. Monomethylamine, dimethylamine, and trimethylamine (MMA, DMA, and TMA, respectively) have been shown to enhance sulfuric acid-driven particle formation more efficiently than ammonia, but both theory and laboratory experiments suggest that there are differences in their enhancing potentials. However, as quantitative concentrations and thermochemical properties of different amines remain relatively uncertain, and also for computational reasons, the compounds have been treated as a single surrogate amine species in large-scale modeling studies. In this work, the differences and similarities of MMA, DMA, and TMA are studied by simulations of molecular cluster formation from sulfuric acid, water, and each of the three amines. Quantum chemistry-based cluster evaporation rate constants are applied in a cluster population dynamics model to yield cluster concentrations and formation rates at boundary layer conditions. While there are differences, for instance, in the clustering mechanisms and cluster hygroscopicity for the three amines, DMA and TMA can be approximated as a lumped species. Formation of nanometer-sized particles and its dependence on ambient conditions is roughly similar for these two: both efficiently form clusters with sulfuric acid, and cluster formation is rather insensitive to changes in temperature and relative humidity. Particle formation from sulfuric acid and MMA is weaker and significantly more sensitive to ambient conditions. Therefore, merging MMA together with DMA and TMA introduces inaccuracies in sulfuric acid-amine particle formation schemes.

  11. Spinal subarachnoid space pressure measurements in an in vitro spinal stenosis model: implications on syringomyelia theories.

    PubMed

    Martin, Bryn A; Labuda, Richard; Royston, Thomas J; Oshinski, John N; Iskandar, Bermans; Loth, Francis

    2010-11-01

    Full explanation for the pathogenesis of syringomyelia (SM), a neuropathology characterized by the formation of a cystic cavity (syrinx) in the spinal cord (SC), has not yet been provided. It has been hypothesized that abnormal cerebrospinal fluid (CSF) pressure, caused by subarachnoid space (SAS) flow blockage (stenosis), is an underlying cause of syrinx formation and subsequent pain in the patient. However, paucity in detailed in vivo pressure data has made theoretical explanations for the syrinx difficult to reconcile. In order to understand the complex pressure environment, four simplified in vitro models were constructed to have anatomical similarities with post-traumatic SM and Chiari malformation related SM. Experimental geometry and properties were based on in vivo data and incorporated pertinent elements such as a realistic CSF flow waveform, spinal stenosis, syrinx, flexible SC, and flexible spinal column. The presence of a spinal stenosis in the SAS caused peak-to-peak cerebrospinal fluid CSF pressure fluctuations to increase rostral to the stenosis. Pressure with both stenosis and syrinx present was complex. Overall, the interaction of the syrinx and stenosis resulted in a diastolic valve mechanism and rostral tensioning of the SC. In all experiments, the blockage was shown to increase and dissociate SAS pressure, while the axial pressure distribution in the syrinx remained uniform. These results highlight the importance of the properties of the SC and spinal SAS, such as compliance and permeability, and provide data for comparison with computational models. Further research examining the influence of stenosis size and location, and the importance of tissue properties, is warranted.

  12. SPENDING TOO MUCH TIME AT THE GALACTIC BAR: CHAOTIC FANNING OF THE OPHIUCHUS STREAM

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Price-Whelan, Adrian M.; Johnston, Kathryn V.; Sesar, Branimir

    2016-06-20

    The Ophiuchus stellar stream is peculiar: (1) its length is short given the age of its constituent stars, and (2) several probable member stars have dispersions in sky position and velocity that far exceed those seen within the stream. The stream’s proximity to the Galactic center suggests that its dynamical history is significantly influenced by the Galactic bar. We explore this hypothesis with models of stream formation along orbits consistent with Ophiuchus’ properties in a Milky Way potential model that includes a rotating bar. In all choices for the rotation parameters of the bar, orbits fit to the stream aremore » strongly chaotic. Mock streams generated along these orbits qualitatively match the observed properties of the stream: because of chaos, stars stripped early generally form low-density, high-dispersion “fans” leaving only the most recently disrupted material detectable as a strong over-density. Our models predict that there should be a significant amount of low-surface-brightness tidal debris around the stream with a complex phase-space morphology. The existence of or lack of these features could provide interesting constraints on the Milky Way bar and would rule out formation scenarios for the stream. This is the first time that chaos has been used to explain the properties of a stellar stream and is the first demonstration of the dynamical importance of chaos in the Galactic halo. The existence of long, thin streams around the Milky Way, presumably formed along non- or weakly chaotic orbits, may represent only a subset of the total population of disrupted satellites.« less

  13. Synaptic clustering within dendrites: an emerging theory of memory formation

    PubMed Central

    Kastellakis, George; Cai, Denise J.; Mednick, Sara C.; Silva, Alcino J.; Poirazi, Panayiota

    2015-01-01

    It is generally accepted that complex memories are stored in distributed representations throughout the brain, however the mechanisms underlying these representations are not understood. Here, we review recent findings regarding the subcellular mechanisms implicated in memory formation, which provide evidence for a dendrite-centered theory of memory. Plasticity-related phenomena which affect synaptic properties, such as synaptic tagging and capture, synaptic clustering, branch strength potentiation and spinogenesis provide the foundation for a model of memory storage that relies heavily on processes operating at the dendrite level. The emerging picture suggests that clusters of functionally related synapses may serve as key computational and memory storage units in the brain. We discuss both experimental evidence and theoretical models that support this hypothesis and explore its advantages for neuronal function. PMID:25576663

  14. Model of carbon nanofiber internal structure formation and instability of catalytic growth interface

    NASA Astrophysics Data System (ADS)

    Merkulov, I. A.; Merkulov, V. I.; Melechko, A. V.; Klein, K. L.; Lowndes, D. H.; Simpson, M. L.

    2007-07-01

    It is well known that the internal structure determines the properties of carbon nanotubes and carbon nanofibers. However, a fundamental understanding of the processes that drive structure formation is missing, hindering the development of controlled synthesis strategies. Here we use theoretical calculations to explore the time evolution of the shape of the interface between the catalyst nanoparticle and its associated graphitic nanofiber at the initial stages of growth. This phenomenological description of the behavior of the catalyst nanoparticle-graphite interface constructed with model parameters provides new understanding of the mechanisms that control the internal structure of carbon nanofibers. We show that if the magnitude of the interface curvature exceeds a critical value κcrit , the interface loses stability and a cavity forms in the center of the nanofiber.

  15. Social power and opinion formation in complex networks

    NASA Astrophysics Data System (ADS)

    Jalili, Mahdi

    2013-02-01

    In this paper we investigate the effects of social power on the evolution of opinions in model networks as well as in a number of real social networks. A continuous opinion formation model is considered and the analysis is performed through numerical simulation. Social power is given to a proportion of agents selected either randomly or based on their degrees. As artificial network structures, we consider scale-free networks constructed through preferential attachment and Watts-Strogatz networks. Numerical simulations show that scale-free networks with degree-based social power on the hub nodes have an optimal case where the largest number of the nodes reaches a consensus. However, given power to a random selection of nodes could not improve consensus properties. Introducing social power in Watts-Strogatz networks could not significantly change the consensus profile.

  16. Formation and maintenance of tubular membrane projections: experiments and numerical calculations.

    PubMed

    Umeda, Tamiki; Inaba, Takehiko; Ishijima, Akihiko; Takiguchi, Kingo; Hotani, Hirokazu

    2008-01-01

    To study the mechanical properties of lipid membranes, we manipulated liposomes by using a system comprising polystyrene beads and laser tweezers, and measured the force required to transform their shapes. When two beads pushed the membrane from inside, spherical liposomes transformed into a lemon-shape. Then a discontinuous shape transformation occurred to form a membrane tube from either end of the liposomes, and the force dropped drastically. We analyzed these processes using a mathematical model based on the bending elasticity of the membranes. Numerical calculations showed that when the bead size was taken into account, the model reproduced both the liposomal shape transformation and the force-extension relation. This result suggests that the size of the beads is responsible for the existence of a force barrier for the tube formation.

  17. Safety and immune regulatory properties of canine induced pluripotent stem cell-derived mesenchymal stem cells.

    PubMed

    Chow, Lyndah; Johnson, Valerie; Regan, Dan; Wheat, William; Webb, Saiphone; Koch, Peter; Dow, Steven

    2017-12-01

    Mesenchymal stem cells (MSCs) exhibit broad immune modulatory activity in vivo and can suppress T cell proliferation and dendritic cell activation in vitro. Currently, most MSC for clinical usage are derived from younger donors, due to ease of procurement and to the superior immune modulatory activity. However, the use of MSC from multiple unrelated donors makes it difficult to standardize study results and compare outcomes between different clinical trials. One solution is the use of MSC derived from induced pluripotent stem cells (iPSC); as iPSC-derived MSC have nearly unlimited proliferative potential and exhibit in vitro phenotypic stability. Given the value of dogs as a spontaneous disease model for pre-clinical evaluation of stem cell therapeutics, we investigated the functional properties of canine iPSC-derived MSC (iMSC), including immune modulatory properties and potential for teratoma formation. We found that canine iMSC downregulated expression of pluripotency genes and appeared morphologically similar to conventional MSC. Importantly, iMSC retained a stable phenotype after multiple passages, did not form teratomas in immune deficient mice, and did not induce tumor formation in dogs following systemic injection. We concluded therefore that iMSC were phenotypically stable, immunologically potent, safe with respect to tumor formation, and represented an important new source of cells for therapeutic modulation of inflammatory disorders. Copyright © 2017. Published by Elsevier B.V.

  18. Lyman Break Analogs: Constraints on the Formation of Extreme Starbursts at Low and High Redshift

    NASA Technical Reports Server (NTRS)

    Goncalves, Thiago S.; Overzier, Roderik; Basu-Zych, Antara; Martin, D. Christopher

    2011-01-01

    Lyman Break Analogs (LBAs), characterized by high far-UV luminosities and surface brightnesses as detected by GALEX, are intensely star-forming galaxies in the low-redshift universe (z approximately equal to 0.2), with star formation rates reaching up to 50 times that of the Milky Way. These objects present metallicities, morphologies and other physical properties similar to higher redshift Lyman Break Galaxies (LBGs), motivating the detailed study of LBAs as local laboratories of this high-redshift galaxy population. We present results from our recent integral-field spectroscopy survey of LBAs with Keck/OSIRIS, which shows that these galaxies have the same nebular gas kinematic properties as high-redshift LBGs. We argue that such kinematic studies alone are not an appropriate diagnostic to rule out merger events as the trigger for the observed starburst. Comparison between the kinematic analysis and morphological indices from HST imaging illustrates the difficulties of properly identifying (minor or major) merger events, with no clear correlation between the results using either of the two methods. Artificial redshifting of our data indicates that this problem becomes even worse at high redshift due to surface brightness dimming and resolution loss. Whether mergers could generate the observed kinematic properties is strongly dependent on gas fractions in these galaxies. We present preliminary results of a CARMA survey for LBAs and discuss the implications of the inferred molecular gas masses for formation models.

  19. Discrete bivariate population balance modelling of heteroaggregation processes.

    PubMed

    Rollié, Sascha; Briesen, Heiko; Sundmacher, Kai

    2009-08-15

    Heteroaggregation in binary particle mixtures was simulated with a discrete population balance model in terms of two internal coordinates describing the particle properties. The considered particle species are of different size and zeta-potential. Property space is reduced with a semi-heuristic approach to enable an efficient solution. Aggregation rates are based on deterministic models for Brownian motion and stability, under consideration of DLVO interaction potentials. A charge-balance kernel is presented, relating the electrostatic surface potential to the property space by a simple charge balance. Parameter sensitivity with respect to the fractal dimension, aggregate size, hydrodynamic correction, ionic strength and absolute particle concentration was assessed. Results were compared to simulations with the literature kernel based on geometric coverage effects for clusters with heterogeneous surface properties. In both cases electrostatic phenomena, which dominate the aggregation process, show identical trends: impeded cluster-cluster aggregation at low particle mixing ratio (1:1), restabilisation at high mixing ratios (100:1) and formation of complex clusters for intermediate ratios (10:1). The particle mixing ratio controls the surface coverage extent of the larger particle species. Simulation results are compared to experimental flow cytometric data and show very satisfactory agreement.

  20. Properties of interfaces and transport across them.

    PubMed

    Cabezas, H

    2000-01-01

    Much of the biological activity in cell cytoplasm occurs in compartments some of which may be formed, as suggested in this book, by phase separation, and many of the functions of such compartments depend on the transport or exchange of molecules across interfaces. Thus a fundamentally based discussion of the properties of phases, interfaces, and diffusive transport across interfaces has been given to further elucidate these phenomena. An operational criterion for the width of interfaces is given in terms of molecular and physical arguments, and the properties of molecules inside phases and interfaces are discussed in terms of molecular arguments. In general, the properties of the interface become important when the molecules diffusing across are smaller than the width of the interface. Equilibrium partitioning, Donnan phenomena, and electrochemical potentials at interfaces are also discussed in detail. The mathematical expressions for modeling transport across interfaces are discussed in detail. These describe a practical and detailed model for transport across interfaces. For molecules smaller than the width of the interface, this includes a detailed model for diffusion inside the interface. Last, the question of the time scale for phase formation and equilibration in biological systems is discussed.

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