An adjoint-based framework for maximizing mixing in binary fluids

NASA Astrophysics Data System (ADS)

Eggl, Maximilian; Schmid, Peter

2017-11-01

Mixing in the inertial, but laminar parameter regime is a common application in a wide range of industries. Enhancing the efficiency of mixing processes thus has a fundamental effect on product quality, material homogeneity and, last but not least, production costs. In this project, we address mixing efficiency in the above mentioned regime (Reynolds number Re = 1000 , Peclet number Pe = 1000) by developing and demonstrating an algorithm based on nonlinear adjoint looping that minimizes the variance of a passive scalar field which models our binary Newtonian fluids. The numerical method is based on the FLUSI code (Engels et al. 2016), a Fourier pseudo-spectral code, which we modified and augmented by scalar transport and adjoint equations. Mixing is accomplished by moving stirrers which are numerically modeled using a penalization approach. In our two-dimensional simulations we consider rotating circular and elliptic stirrers and extract optimal mixing strategies from the iterative scheme. The case of optimizing shape and rotational speed of the stirrers will be demonstrated.

Application of the Fokker-Planck molecular mixing model to turbulent scalar mixing using moment methods

NASA Astrophysics Data System (ADS)

Madadi-Kandjani, E.; Fox, R. O.; Passalacqua, A.

2017-06-01

An extended quadrature method of moments using the β kernel density function (β -EQMOM) is used to approximate solutions to the evolution equation for univariate and bivariate composition probability distribution functions (PDFs) of a passive scalar for binary and ternary mixing. The key element of interest is the molecular mixing term, which is described using the Fokker-Planck (FP) molecular mixing model. The direct numerical simulations (DNSs) of Eswaran and Pope ["Direct numerical simulations of the turbulent mixing of a passive scalar," Phys. Fluids 31, 506 (1988)] and the amplitude mapping closure (AMC) of Pope ["Mapping closures for turbulent mixing and reaction," Theor. Comput. Fluid Dyn. 2, 255 (1991)] are taken as reference solutions to establish the accuracy of the FP model in the case of binary mixing. The DNSs of Juneja and Pope ["A DNS study of turbulent mixing of two passive scalars," Phys. Fluids 8, 2161 (1996)] are used to validate the results obtained for ternary mixing. Simulations are performed with both the conditional scalar dissipation rate (CSDR) proposed by Fox [Computational Methods for Turbulent Reacting Flows (Cambridge University Press, 2003)] and the CSDR from AMC, with the scalar dissipation rate provided as input and obtained from the DNS. Using scalar moments up to fourth order, the ability of the FP model to capture the evolution of the shape of the PDF, important in turbulent mixing problems, is demonstrated. Compared to the widely used assumed β -PDF model [S. S. Girimaji, "Assumed β-pdf model for turbulent mixing: Validation and extension to multiple scalar mixing," Combust. Sci. Technol. 78, 177 (1991)], the β -EQMOM solution to the FP model more accurately describes the initial mixing process with a relatively small increase in computational cost.

Calibrating binary lumped parameter models

NASA Astrophysics Data System (ADS)

Morgenstern, Uwe; Stewart, Mike

2017-04-01

Groundwater at its discharge point is a mixture of water from short and long flowlines, and therefore has a distribution of ages rather than a single age. Various transfer functions describe the distribution of ages within the water sample. Lumped parameter models (LPMs), which are mathematical models of water transport based on simplified aquifer geometry and flow configuration can account for such mixing of groundwater of different age, usually representing the age distribution with two parameters, the mean residence time, and the mixing parameter. Simple lumped parameter models can often match well the measured time varying age tracer concentrations, and therefore are a good representation of the groundwater mixing at these sites. Usually a few tracer data (time series and/or multi-tracer) can constrain both parameters. With the building of larger data sets of age tracer data throughout New Zealand, including tritium, SF6, CFCs, and recently Halon-1301, and time series of these tracers, we realised that for a number of wells the groundwater ages using a simple lumped parameter model were inconsistent between the different tracer methods. Contamination or degradation of individual tracers is unlikely because the different tracers show consistent trends over years and decades. This points toward a more complex mixing of groundwaters with different ages for such wells than represented by the simple lumped parameter models. Binary (or compound) mixing models are able to represent a more complex mixing, with mixing of water of two different age distributions. The problem related to these models is that they usually have 5 parameters which makes them data-hungry and therefore difficult to constrain all parameters. Two or more age tracers with different input functions, with multiple measurements over time, can provide the required information to constrain the parameters of the binary mixing model. We obtained excellent results using tritium time series encompassing the passage of the bomb-tritium through the aquifer, and SF6 with its steep gradient currently in the input. We will show age tracer data from drinking water wells that enabled identification of young water ingression into wells, which poses the risk of bacteriological contamination from the surface into the drinking water.

CLUSTERING SOUTH AFRICAN HOUSEHOLDS BASED ON THEIR ASSET STATUS USING LATENT VARIABLE MODELS

PubMed Central

McParland, Damien; Gormley, Isobel Claire; McCormick, Tyler H.; Clark, Samuel J.; Kabudula, Chodziwadziwa Whiteson; Collinson, Mark A.

2014-01-01

The Agincourt Health and Demographic Surveillance System has since 2001 conducted a biannual household asset survey in order to quantify household socio-economic status (SES) in a rural population living in northeast South Africa. The survey contains binary, ordinal and nominal items. In the absence of income or expenditure data, the SES landscape in the study population is explored and described by clustering the households into homogeneous groups based on their asset status. A model-based approach to clustering the Agincourt households, based on latent variable models, is proposed. In the case of modeling binary or ordinal items, item response theory models are employed. For nominal survey items, a factor analysis model, similar in nature to a multinomial probit model, is used. Both model types have an underlying latent variable structure—this similarity is exploited and the models are combined to produce a hybrid model capable of handling mixed data types. Further, a mixture of the hybrid models is considered to provide clustering capabilities within the context of mixed binary, ordinal and nominal response data. The proposed model is termed a mixture of factor analyzers for mixed data (MFA-MD). The MFA-MD model is applied to the survey data to cluster the Agincourt households into homogeneous groups. The model is estimated within the Bayesian paradigm, using a Markov chain Monte Carlo algorithm. Intuitive groupings result, providing insight to the different socio-economic strata within the Agincourt region. PMID:25485026

Testing mixing models of old and young groundwater in a tropical lowland rain forest with environmental tracers

NASA Astrophysics Data System (ADS)

Solomon, D. Kip; Genereux, David P.; Plummer, L. Niel; Busenberg, Eurybiades

2010-04-01

We tested three models of mixing between old interbasin groundwater flow (IGF) and young, locally derived groundwater in a lowland rain forest in Costa Rica using a large suite of environmental tracers. We focus on the young fraction of water using the transient tracers CFC-11, CFC-12, CFC-113, SF6, 3H, and bomb 14C. We measured 3He, but 3H/3He dating is generally problematic due to the presence of mantle 3He. Because of their unique concentration histories in the atmosphere, combinations of transient tracers are sensitive not only to subsurface travel times but also to mixing between waters having different travel times. Samples fall into three distinct categories: (1) young waters that plot along a piston flow line, (2) old samples that have near-zero concentrations of the transient tracers, and (3) mixtures of 1 and 2. We have modeled the concentrations of the transient tracers using (1) a binary mixing model (BMM) of old and young water with the young fraction transported via piston flow, (2) an exponential mixing model (EMM) with a distribution of groundwater travel times characterized by a mean value, and (3) an exponential mixing model for the young fraction followed by binary mixing with an old fraction (EMM/BMM). In spite of the mathematical differences in the mixing models, they all lead to a similar conceptual model of young (0 to 10 year) groundwater that is locally derived mixing with old (>1000 years) groundwater that is recharged beyond the surface water boundary of the system.

Mixed effects versus fixed effects modelling of binary data with inter-subject variability.

PubMed

Murphy, Valda; Dunne, Adrian

2005-04-01

The question of whether or not a mixed effects model is required when modelling binary data with inter-subject variability and within subject correlation was reported in this journal by Yano et al. (J. Pharmacokin. Pharmacodyn. 28:389-412 [2001]). That report used simulation experiments to demonstrate that, under certain circumstances, the use of a fixed effects model produced more accurate estimates of the fixed effect parameters than those produced by a mixed effects model. The Laplace approximation to the likelihood was used when fitting the mixed effects model. This paper repeats one of those simulation experiments, with two binary observations recorded for every subject, and uses both the Laplace and the adaptive Gaussian quadrature approximations to the likelihood when fitting the mixed effects model. The results show that the estimates produced using the Laplace approximation include a small number of extreme outliers. This was not the case when using the adaptive Gaussian quadrature approximation. Further examination of these outliers shows that they arise in situations in which the Laplace approximation seriously overestimates the likelihood in an extreme region of the parameter space. It is also demonstrated that when the number of observations per subject is increased from two to three, the estimates based on the Laplace approximation no longer include any extreme outliers. The root mean squared error is a combination of the bias and the variability of the estimates. Increasing the sample size is known to reduce the variability of an estimator with a consequent reduction in its root mean squared error. The estimates based on the fixed effects model are inherently biased and this bias acts as a lower bound for the root mean squared error of these estimates. Consequently, it might be expected that for data sets with a greater number of subjects the estimates based on the mixed effects model would be more accurate than those based on the fixed effects model. This is borne out by the results of a further simulation experiment with an increased number of subjects in each set of data. The difference in the interpretation of the parameters of the fixed and mixed effects models is discussed. It is demonstrated that the mixed effects model and parameter estimates can be used to estimate the parameters of the fixed effects model but not vice versa.

Physics of rotation: problems and challenges

NASA Astrophysics Data System (ADS)

Maeder, Andre; Meynet, Georges

2015-01-01

We examine some debated points in current discussions about rotating stars: the shape, the gravity darkening, the critical velocities, the mass loss rates, the hydrodynamical instabilities, the internal mixing and N-enrichments. The study of rotational mixing requires high quality data and careful analysis. From recent studies where such conditions are fulfilled, rotational mixing is well confirmed. Magnetic coupling with stellar winds may produce an apparent contradiction, i.e. stars with a low rotation and a high N-enrichment. We point out that it rather confirms the large role of shears in differentially rotating stars for the transport processes. New models of interacting binaries also show how shears and mixing may be enhanced in close binaries which are either spun up or down by tidal interactions.

Meta-analysis of studies with bivariate binary outcomes: a marginal beta-binomial model approach

PubMed Central

Chen, Yong; Hong, Chuan; Ning, Yang; Su, Xiao

2018-01-01

When conducting a meta-analysis of studies with bivariate binary outcomes, challenges arise when the within-study correlation and between-study heterogeneity should be taken into account. In this paper, we propose a marginal beta-binomial model for the meta-analysis of studies with binary outcomes. This model is based on the composite likelihood approach, and has several attractive features compared to the existing models such as bivariate generalized linear mixed model (Chu and Cole, 2006) and Sarmanov beta-binomial model (Chen et al., 2012). The advantages of the proposed marginal model include modeling the probabilities in the original scale, not requiring any transformation of probabilities or any link function, having closed-form expression of likelihood function, and no constraints on the correlation parameter. More importantly, since the marginal beta-binomial model is only based on the marginal distributions, it does not suffer from potential misspecification of the joint distribution of bivariate study-specific probabilities. Such misspecification is difficult to detect and can lead to biased inference using currents methods. We compare the performance of the marginal beta-binomial model with the bivariate generalized linear mixed model and the Sarmanov beta-binomial model by simulation studies. Interestingly, the results show that the marginal beta-binomial model performs better than the Sarmanov beta-binomial model, whether or not the true model is Sarmanov beta-binomial, and the marginal beta-binomial model is more robust than the bivariate generalized linear mixed model under model misspecifications. Two meta-analyses of diagnostic accuracy studies and a meta-analysis of case-control studies are conducted for illustration. PMID:26303591

Research on odor interaction between aldehyde compounds via a partial differential equation (PDE) model.

PubMed

Yan, Luchun; Liu, Jiemin; Qu, Chen; Gu, Xingye; Zhao, Xia

2015-01-28

In order to explore the odor interaction of binary odor mixtures, a series of odor intensity evaluation tests were performed using both individual components and binary mixtures of aldehydes. Based on the linear relation between the logarithm of odor activity value and odor intensity of individual substances, the relationship between concentrations of individual constituents and their joint odor intensity was investigated by employing a partial differential equation (PDE) model. The obtained results showed that the binary odor interaction was mainly influenced by the mixing ratio of two constituents, but not the concentration level of an odor sample. Besides, an extended PDE model was also proposed on the basis of the above experiments. Through a series of odor intensity matching tests for several different binary odor mixtures, the extended PDE model was proved effective at odor intensity prediction. Furthermore, odorants of the same chemical group and similar odor type exhibited similar characteristics in the binary odor interaction. The overall results suggested that the PDE model is a more interpretable way of demonstrating the odor interactions of binary odor mixtures.

Testing mixing models of old and young groundwater in a tropical lowland rain forest with environmental tracers

USGS Publications Warehouse

Solomon, D. Kip; Genereux, David P.; Plummer, Niel; Busenberg, Eurybiades

2010-01-01

We tested three models of mixing between old interbasin groundwater flow (IGF) and young, locally derived groundwater in a lowland rain forest in Costa Rica using a large suite of environmental tracers. We focus on the young fraction of water using the transient tracers CFC‐11, CFC‐12, CFC‐113, SF6, 3H, and bomb 14C. We measured 3He, but 3H/3He dating is generally problematic due to the presence of mantle 3He. Because of their unique concentration histories in the atmosphere, combinations of transient tracers are sensitive not only to subsurface travel times but also to mixing between waters having different travel times. Samples fall into three distinct categories: (1) young waters that plot along a piston flow line, (2) old samples that have near‐zero concentrations of the transient tracers, and (3) mixtures of 1 and 2. We have modeled the concentrations of the transient tracers using (1) a binary mixing model (BMM) of old and young water with the young fraction transported via piston flow, (2) an exponential mixing model (EMM) with a distribution of groundwater travel times characterized by a mean value, and (3) an exponential mixing model for the young fraction followed by binary mixing with an old fraction (EMM/BMM). In spite of the mathematical differences in the mixing models, they all lead to a similar conceptual model of young (0 to 10 year) groundwater that is locally derived mixing with old (>1000 years) groundwater that is recharged beyond the surface water boundary of the system.

Monte Carlo simulation of magnetic properties of mixed spin (3/2, 1) ferromagnetic and ferrimagnetic disordered binary alloys with amorphous structure

NASA Astrophysics Data System (ADS)

Motlagh, H. Nakhaei; Rezaei, G.

2018-01-01

Monte Carlo simulation is used to study the magnetic properties of mixed spin (3/2, 1) disordered binary alloys on simple cubic, hexagonal and amorphous magnetic ultra-thin films with 18 × 18 × 2 atoms. To this end, at the first approximation, the exchange coupling interaction between the spins is considered as a constant value and at the second one, the Ruderman-Kittel-Kasuya-Yosida (RKKY) model is used. Effects of concentration, structure, exchange interaction, single ion-anisotropy and the film size on the magnetic properties of disordered ferromagnetic and ferrimagnetic binary alloys are investigated. Our results indicate that the spontaneous magnetization and critical temperatures of rare earth-3d transition binary alloys are affected by these parameters. It is also found that in the ferrimagnetic state, the compensation temperature (Tcom) and the magnetic rearrangement temperature (TR) appear for some concentrations.

UV observations of blue stragglers and population 2 K dwarfs

NASA Technical Reports Server (NTRS)

Carney, B. W.; Bond, H. E.

1986-01-01

Blue stragglers are stars, found usually in either open or globular clusters, that appear to lie on the main sequence, but are brighter and bluer than the cluster turn-off. Currently, two rival models are invoked to explain this apparently pathological behavior: internal mixing (so that fresh fuel is brought into the stellar core); and mass transfer (by which a normal main sequence star acquires mass from an evolving nearby companion and so moves up the main sequence). The latter model predicts that in the absence of complete mass transfer (i.e., coalescence), blue stragglers should be binary systems with the fainter star in a post-main sequence evolutionary state. It is important to ascertain the cause of this phenomenon since stellar evolution models of main sequence stars play such a vital role in astronomy. If mass transfer is involved, one may easily exclude binaries from age determinations of clusters, but if mixing is the cause, our age determinations will be much less accurate unless we can determine whether all stars or only some mix, and what causes the mixing to occur at all.

Mixing of shallow and deep groundwater as indicated by the chemistry and age of karstic springs

NASA Astrophysics Data System (ADS)

Toth, David J.; Katz, Brian G.

2006-06-01

Large karstic springs in east-central Florida, USA were studied using multi-tracer and geochemical modeling techniques to better understand groundwater flow paths and mixing of shallow and deep groundwater. Spring water types included Ca-HCO3 (six), Na-Cl (four), and mixed (one). The evolution of water chemistry for Ca-HCO3 spring waters was modeled by reactions of rainwater with soil organic matter, calcite, and dolomite under oxic conditions. The Na-Cl and mixed-type springs were modeled by reactions of either rainwater or Upper Floridan aquifer water with soil organic matter, calcite, and dolomite under oxic conditions and mixed with varying proportions of saline Lower Floridan aquifer water, which represented 4-53% of the total spring discharge. Multiple-tracer data—chlorofluorocarbon CFC-113, tritium (3H), helium-3 (3Hetrit), sulfur hexafluoride (SF6)—for four Ca-HCO3 spring waters were consistent with binary mixing curves representing water recharged during 1980 or 1990 mixing with an older (recharged before 1940) tracer-free component. Young-water mixing fractions ranged from 0.3 to 0.7. Tracer concentration data for two Na-Cl spring waters appear to be consistent with binary mixtures of 1990 water with older water recharged in 1965 or 1975. Nitrate-N concentrations are inversely related to apparent ages of spring waters, which indicated that elevated nitrate-N concentrations were likely contributed from recent recharge.

Meta-analysis of studies with bivariate binary outcomes: a marginal beta-binomial model approach.

PubMed

Chen, Yong; Hong, Chuan; Ning, Yang; Su, Xiao

2016-01-15

When conducting a meta-analysis of studies with bivariate binary outcomes, challenges arise when the within-study correlation and between-study heterogeneity should be taken into account. In this paper, we propose a marginal beta-binomial model for the meta-analysis of studies with binary outcomes. This model is based on the composite likelihood approach and has several attractive features compared with the existing models such as bivariate generalized linear mixed model (Chu and Cole, 2006) and Sarmanov beta-binomial model (Chen et al., 2012). The advantages of the proposed marginal model include modeling the probabilities in the original scale, not requiring any transformation of probabilities or any link function, having closed-form expression of likelihood function, and no constraints on the correlation parameter. More importantly, because the marginal beta-binomial model is only based on the marginal distributions, it does not suffer from potential misspecification of the joint distribution of bivariate study-specific probabilities. Such misspecification is difficult to detect and can lead to biased inference using currents methods. We compare the performance of the marginal beta-binomial model with the bivariate generalized linear mixed model and the Sarmanov beta-binomial model by simulation studies. Interestingly, the results show that the marginal beta-binomial model performs better than the Sarmanov beta-binomial model, whether or not the true model is Sarmanov beta-binomial, and the marginal beta-binomial model is more robust than the bivariate generalized linear mixed model under model misspecifications. Two meta-analyses of diagnostic accuracy studies and a meta-analysis of case-control studies are conducted for illustration. Copyright © 2015 John Wiley & Sons, Ltd.

Study of thermodynamic properties of liquid binary alloys by a pseudopotential method

NASA Astrophysics Data System (ADS)

Vora, Aditya M.

2010-11-01

On the basis of the Percus-Yevick hard-sphere model as a reference system and the Gibbs-Bogoliubov inequality, a thermodynamic perturbation method is applied with the use of the well-known model potential. By applying a variational method, the hard-core diameters are found which correspond to a minimum free energy. With this procedure, the thermodynamic properties such as the internal energy, entropy, Helmholtz free energy, entropy of mixing, and heat of mixing are computed for liquid NaK binary systems. The influence of the local-field correction functions of Hartree, Taylor, Ichimaru-Utsumi, Farid-Heine-Engel-Robertson, and Sarkar-Sen-Haldar-Roy is also investigated. The computed excess entropy is in agreement with available experimental data in the case of liquid alloys, whereas the agreement for the heat of mixing is poor. This may be due to the sensitivity of the latter to the potential parameters and dielectric function.

Microfluidic mixing using orbiting magnetic microbeads

NASA Astrophysics Data System (ADS)

Ballard, Matthew; Owen, Drew; Mao, Wenbin; Hesketh, Peter; Alexeev, Alexander

2013-11-01

Using three-dimensional simulations and experiments, we examine mixing in a microfluidic channel that incorporates a hybrid passive-active micromixer. The passive part of the mixer consists of a series of angled parallel ridges lining the top microchannel wall. The active component of the mixer is made up of microbeads rotating around small pillars on the bottom of the microchannel. In our simulations, we use a binary fluid lattice Boltzmann model to simulate the system and characterize the microfluidic mixing in the system. We consider the passive and active micromixers separately and evaluate their combined effect on the mixing of binary fluids. We compare our simulations with the experimental results obtained in a microchannel with magnetically actuated microbeads. Our findings guide the design of an efficient micromixer to be used in sampling in complex fluids. Financial support from NSF (CBET-1159726) is gratefully acknowledged.

Thermal transport in binary colloidal glasses: Composition dependence and percolation assessment

NASA Astrophysics Data System (ADS)

Ruckdeschel, Pia; Philipp, Alexandra; Kopera, Bernd A. F.; Bitterlich, Flora; Dulle, Martin; Pech-May, Nelson W.; Retsch, Markus

2018-02-01

The combination of various types of materials is often used to create superior composites that outperform the pure phase components. For any rational design, the thermal conductivity of the composite as a function of the volume fraction of the filler component needs to be known. When approaching the nanoscale, the homogeneous mixture of various components poses an additional challenge. Here, we investigate binary nanocomposite materials based on polymer latex beads and hollow silica nanoparticles. These form randomly mixed colloidal glasses on a sub-μ m scale. We focus on the heat transport properties through such binary assembly structures. The thermal conductivity can be well described by the effective medium theory. However, film formation of the soft polymer component leads to phase segregation and a mismatch between existing mixing models. We confirm our experimental data by finite element modeling. This additionally allowed us to assess the onset of thermal transport percolation in such random particulate structures. Our study contributes to a better understanding of thermal transport through heterostructured particulate assemblies.

Modelling Kepler red giants in eclipsing binaries: calibrating the mixing-length parameter with asteroseismology

NASA Astrophysics Data System (ADS)

Li, Tanda; Bedding, Timothy R.; Huber, Daniel; Ball, Warrick H.; Stello, Dennis; Murphy, Simon J.; Bland-Hawthorn, Joss

2018-03-01

Stellar models rely on a number of free parameters. High-quality observations of eclipsing binary stars observed by Kepler offer a great opportunity to calibrate model parameters for evolved stars. Our study focuses on six Kepler red giants with the goal of calibrating the mixing-length parameter of convection as well as the asteroseismic surface term in models. We introduce a new method to improve the identification of oscillation modes that exploits theoretical frequencies to guide the mode identification (`peak-bagging') stage of the data analysis. Our results indicate that the convective mixing-length parameter (α) is ≈14 per cent larger for red giants than for the Sun, in agreement with recent results from modelling the APOGEE stars. We found that the asteroseismic surface term (i.e. the frequency offset between the observed and predicted modes) correlates with stellar parameters (Teff, log g) and the mixing-length parameter. This frequency offset generally decreases as giants evolve. The two coefficients a-1 and a3 for the inverse and cubic terms that have been used to describe the surface term correction are found to correlate linearly. The effect of the surface term is also seen in the p-g mixed modes; however, established methods for correcting the effect are not able to properly correct the g-dominated modes in late evolved stars.

Generalization of the binary structural phase field crystal model

NASA Astrophysics Data System (ADS)

Smith, Nathan; Provatas, Nikolas

2017-10-01

Two improvements to the binary structural phase field crystal (XPFC) theory are presented. The first is an improvement to the phenomenology for modelling density-density correlation functions and the second extends the free energy of the mixing term in the binary XPFC model beyond ideal mixing to a regular solution model. These improvements are applied to study kinetics of precipitation from solution. We observe a two-step nucleation pathway similar to recent experimental work [N. D. Loh, S. Sen, M. Bosman, S. F. Tan, J. Zhong, C. A. Nijhuis, P. Král, P. Matsudaira, and U. Mirsaidov, Nat. Chem. 9, 77 (2017), 10.1038/nchem.2618; A. F. Wallace, L. O. Hedges, A. Fernandez-Martinez, P. Raiteri, J. D. Gale, G. A. Waychunas, S. Whitelam, J. F. Banfield, and J. J. De Yoreo, Science 341, 885 (2013), 10.1126/science.1230915] in which the liquid solution first decomposes into solute-poor and solute-rich regions, followed by precipitate nucleation of the solute-rich regions. Additionally, we find a phenomenon not previously described in the literature in which the growth of precipitates is accelerated in the presence of uncrystallized solute-rich liquid regions.

Multi-stage mixing in subduction zone: Application to Merapi volcano, Indonesia

NASA Astrophysics Data System (ADS)

Debaille, V.; Doucelance, R.; Weis, D.; Schiano, P.

2003-04-01

Basalts sampling subduction zone volcanism (IAB) often show binary mixing relationship in classical Sr-Nd, Pb-Pb, Sr-Pb isotopic diagrams, generally interpreted as reflecting the involvement of two components in their source. However, several authors have highlighted the presence of minimum three components in such a geodynamical context: mantle wedge, subducted and altered oceanic crust and subducted sediments. The overlying continental crust can also contribute by contamination and assimilation in magma chambers and/or during magma ascent. Here we present a multi-stage model to obtain a two end-member mixing from three components (mantle wedge, altered oceanic crust and sediments). The first stage of the model considers the metasomatism of the mantle wedge by fluids and/or melts released by subducted materials (altered oceanic crust and associated sediments), considering mobility and partition coefficient of trace elements in hydrated fluids and silicate melts. This results in the generation of two distinct end-members, reducing the number of components (mantle wedge, oceanic crust, sediments) from three to two. The second stage of the model concerns the binary mixing of the two end-members thus defined: mantle wedge metasomatized by slab-derived fluids and mantle wedge metasomatized by sediment-derived fluids. This model has been applied on a new isotopic data set (Sr, Nd and Pb, analyzed by TIMS and MC-ICP-MS) of Merapi volcano (Java island, Indonesia). Previous studies have suggested three distinct components in the source of indonesian lavas: mantle wedge, subducted sediments and altered oceanic crust. Moreover, it has been shown that crustal contamination does not significantly affect isotopic ratios of lavas. The multi-stage model proposed here is able to reproduce the binary mixing observed in lavas of Merapi, and a set of numerical values of bulk partition coefficient is given that accounts for the genesis of lavas.

Mixing of shallow and deep groundwater as indicated by the chemistry and age of karstic springs

USGS Publications Warehouse

Toth, D.J.; Katz, B.G.

2006-01-01

Large karstic springs in east-central Florida, USA were studied using multi-tracer and geochemical modeling techniques to better understand groundwater flow paths and mixing of shallow and deep groundwater. Spring water types included Ca-HCO3 (six), Na-Cl (four), and mixed (one). The evolution of water chemistry for Ca-HCO3 spring waters was modeled by reactions of rainwater with soil organic matter, calcite, and dolomite under oxic conditions. The Na-Cl and mixed-type springs were modeled by reactions of either rainwater or Upper Floridan aquifer water with soil organic matter, calcite, and dolomite under oxic conditions and mixed with varying proportions of saline Lower Floridan aquifer water, which represented 4-53% of the total spring discharge. Multiple-tracer data-chlorofluorocarbon CFC-113, tritium (3H), helium-3 (3Hetrit), sulfur hexafluoride (SF6) - for four Ca-HCO3 spring waters were consistent with binary mixing curves representing water recharged during 1980 or 1990 mixing with an older (recharged before 1940) tracer-free component. Young-water mixing fractions ranged from 0.3 to 0.7. Tracer concentration data for two Na-Cl spring waters appear to be consistent with binary mixtures of 1990 water with older water recharged in 1965 or 1975. Nitrate-N concentrations are inversely related to apparent ages of spring waters, which indicated that elevated nitrate-N concentrations were likely contributed from recent recharge. ?? Springer-Verlag 2006.

Erratum: Mixing of shallow and deep groundwater as indicated by the chemistry and age of karstic springs

NASA Astrophysics Data System (ADS)

Toth, David J.; Katz, Brian G.

2006-09-01

Large karstic springs in east-central Florida, USA were studied using multi-tracer and geochemical modeling techniques to better understand groundwater flow paths and mixing of shallow and deep groundwater. Spring water types included Ca-HCO3 (six), Na-Cl (four), and mixed (one). The evolution of water chemistry for Ca-HCO3 spring waters was modeled by reactions of rainwater with soil organic matter, calcite, and dolomite under oxic conditions. The Na-Cl and mixed-type springs were modeled by reactions of either rainwater or Upper Floridan aquifer water with soil organic matter, calcite, and dolomite under oxic conditions and mixed with varying proportions of saline Lower Floridan aquifer water, which represented 4-53% of the total spring discharge. Multiple-tracer data—chlorofluorocarbon CFC-113, tritium (3H), helium-3 (3Hetrit), sulfur hexafluoride (SF6)—for four Ca-HCO3 spring waters were consistent with binary mixing curves representing water recharged during 1980 or 1990 mixing with an older (recharged before 1940) tracer-free component. Young-water mixing fractions ranged from 0.3 to 0.7. Tracer concentration data for two Na-Cl spring waters appear to be consistent with binary mixtures of 1990 water with older water recharged in 1965 or 1975. Nitrate-N concentrations are inversely related to apparent ages of spring waters, which indicated that elevated nitrate-N concentrations were likely contributed from recent recharge.

Enthalpy of mixing of liquid systems for lead free soldering: Ni-Sb-Sn system.

PubMed

Elmahfoudi, A; Fürtauer, S; Sabbar, A; Flandorfer, H

2012-04-20

The partial and integral enthalpies of mixing of liquid ternary Ni-Sb-Sn alloys were determined along five sections x Sb / x Sn  = 3:1, x Sb / x Sn  = 1:1, x Sb / x Sn  = 1:3, x Ni / x Sn  = 1:4, and x Ni / x Sb  = 1:4 at 1000 °C in a large compositional range using drop calorimetry techniques. The mixing enthalpy of Ni-Sb alloys was determined at the same temperature and described by a Redlich-Kister polynomial. The other binary data were carefully evaluated from literature values. Our measured ternary data were fitted on the basis of an extended Redlich-Kister-Muggianu model for substitutional solutions. Additionally, a comparison of these results to the extrapolation model of Toop is given. The entire ternary system shows exothermic values of Δ mix H ranging from approx. -1300 J/mol, the minimum in the Sb-Sn binary system down to approx. -24,500 J/mol towards Ni-Sb. No significant ternary interaction could be deduced from our data.

Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

NASA Astrophysics Data System (ADS)

Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

2009-02-01

For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.

Thermodynamic study of complex formation between Ce3+ and cryptand 222 in some binary mixed nonaqueous solvents

NASA Astrophysics Data System (ADS)

Rounaghi, G. H.; Dolatshahi, S.; Tarahomi, S.

2014-12-01

The stoichiometry, stability and the thermodynamic parameters of complex formation between cerium(III) cation and cryptand 222 (4,7,13,16,21,24-hexaoxa-1,10-diazabycyclo[8.8.8]-hexacosane) were studied by conductometric titration method in some binary solvent mixtures of dimethylformamide (DMF), 1,2-dichloroethane (DCE), ethyl acetate (EtOAc) and methyl acetate (MeOAc) with methanol (MeOH), at 288, 298, 308, and 318 K. A model based on 1: 1 stoichiometry has been used to analyze the conductivity data. The data have been fitted according to a non-linear least-squares analysis that provide the stability constant, K f, for the cation-ligand inclusion complex. The results revealed that the stability order of [Ce(cryptand 222)]3+ complex changes with the nature and composition of the solvent system. A non-linear relationship was observed between the stability constant (log K f) of [Ce(cryptand 222)]3+ complex versus the composition of the binary mixed solvent. Standard thermodynamic values were obtained from temperature dependence of the stability constant of the complex, show that the studied complexation process is mainly entropy governed and are influenced by the nature and composition of the binary mixed solvent solutions.

Probability of atrial fibrillation after ablation: Using a parametric nonlinear temporal decomposition mixed effects model.

PubMed

Rajeswaran, Jeevanantham; Blackstone, Eugene H; Ehrlinger, John; Li, Liang; Ishwaran, Hemant; Parides, Michael K

2018-01-01

Atrial fibrillation is an arrhythmic disorder where the electrical signals of the heart become irregular. The probability of atrial fibrillation (binary response) is often time varying in a structured fashion, as is the influence of associated risk factors. A generalized nonlinear mixed effects model is presented to estimate the time-related probability of atrial fibrillation using a temporal decomposition approach to reveal the pattern of the probability of atrial fibrillation and their determinants. This methodology generalizes to patient-specific analysis of longitudinal binary data with possibly time-varying effects of covariates and with different patient-specific random effects influencing different temporal phases. The motivation and application of this model is illustrated using longitudinally measured atrial fibrillation data obtained through weekly trans-telephonic monitoring from an NIH sponsored clinical trial being conducted by the Cardiothoracic Surgery Clinical Trials Network.

The Binary System Laboratory Activities Based on Students Mental Model

NASA Astrophysics Data System (ADS)

Albaiti, A.; Liliasari, S.; Sumarna, O.; Martoprawiro, M. A.

2017-09-01

Generic science skills (GSS) are required to develop student conception in learning binary system. The aim of this research was to know the improvement of students GSS through the binary system labotoratory activities based on their mental model using hypothetical-deductive learning cycle. It was a mixed methods embedded experimental model research design. This research involved 15 students of a university in Papua, Indonesia. Essay test of 7 items was used to analyze the improvement of students GSS. Each items was designed to interconnect macroscopic, sub-microscopic and symbolic levels. Students worksheet was used to explore students mental model during investigation in laboratory. The increase of students GSS could be seen in their N-Gain of each GSS indicators. The results were then analyzed descriptively. Students mental model and GSS have been improved from this study. They were interconnect macroscopic and symbolic levels to explain binary systems phenomena. Furthermore, they reconstructed their mental model with interconnecting the three levels of representation in Physical Chemistry. It necessary to integrate the Physical Chemistry Laboratory into a Physical Chemistry course for effectiveness and efficiency.

Chemical abundances of fast-rotating massive stars . II. Interpretation and comparison with evolutionary models

NASA Astrophysics Data System (ADS)

Cazorla, Constantin; Nazé, Yaël; Morel, Thierry; Georgy, Cyril; Godart, Mélanie; Langer, Norbert

2017-08-01

Aims: Past observations of fast-rotating massive stars exhibiting normal nitrogen abundances at their surface have raised questions about the rotational mixing paradigm. We revisit this question thanks to a spectroscopic analysis of a sample of bright fast-rotating OB stars, with the goal of quantifying the efficiency of rotational mixing at high rotation rates. Methods: Our sample consists of 40 fast rotators on the main sequence, with spectral types comprised between B0.5 and O4. We compare the abundances of some key element indicators of mixing (He, CNO) with the predictions of evolutionary models for single objects and for stars in interacting binary systems. Results: The properties of half of the sample stars can be reproduced by single evolutionary models, even in the case of probable or confirmed binaries that can therefore be true single stars in a pre-interaction configuration. The main problem for the rest of the sample is a mismatch for the [N/O] abundance ratio (we confirm the existence of fast rotators with a lack of nitrogen enrichment) and/or a high helium abundance that cannot be accounted for by models. Modifying the diffusion coefficient implemented in single-star models does not solve the problem as it cannot simultaneously reproduce the helium abundances and [N/O] abundance ratios of our targets. Since part of them actually are binaries, we also compared their chemical properties with predictions for post-mass transfer systems. We found that these models can explain the abundances measured for a majority of our targets, including some of the most helium-enriched, but fail to reproduce them in other cases. Our study thus reveals that some physical ingredients are still missing in current models.

Mesoscale Polymer Dissolution Probed by Raman Spectroscopy and Molecular Simulations

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

Chang, Tsun-Mei; Xantheas, Sotiris S.; Vasdekis, Andreas E.

2016-10-13

The diffusion of various solvents into a polystyrene (PS) matrix was probed experimentally by monitoring the temporal profiles of the Raman spectra and theoretically from molecular dynamics (MD) simulations of the binary system. The simulation results assist in providing a fundamental, molecular level connection between the mixing/dissolution processes and the difference = solvent – PS in the values of the Hildebrand parameter () between the two components of the binary systems: solvents having similar values of with PS (small ) exhibit fast diffusion into the polymer matrix, whereas the diffusion slows down considerably when the ’s are different (large ).more » To this end, the Hildebrand parameter was identified as a useful descriptor that governs the process of mixing in polymer – solvent binary systems. The experiments also provide insight into further refinements of the models specific to non-Fickian diffusion phenomena that need to be used in the simulations.« less

Thermodynamics of Liquid Alkali Metals and Their Binary Alloys

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Patel, Minal H.; Gajjar, P. N.; Jani, A. R.

2009-07-01

The theoretical investigation of thermodynamic properties like internal energy, entropy, Helmholtz free energy, heat of mixing (ΔE) and entropy of mixing (ΔS) of liquid alkali metals and their binary alloys are reported in the present paper. The effect of concentration on the thermodynamic properties of Ac1Bc2 alloy of the alkali-alkali elements is investigated and reported for the first time using our well established local pseudopotential. To investigate influence of exchange and correlation effects, we have used five different local field correction functions viz; Hartree(H), Taylor(T), Ichimaru and Utsumi(IU), Farid et al. (F) and Sarkar et al. (S). The increase of concentration C2, increases the internal energy and Helmholtz free energy of liquid alloy Ac1Bc2. The behavior of present computation is not showing any abnormality in the outcome and hence confirms the applicability of our model potential in explaining the thermodynamics of liquid binary alloys.

Redox States of Initial Atmospheres Outgassed on Rocky Planets and Planetesimals

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

Schaefer, Laura; Fegley, Bruce Jr., E-mail: lschaefer@asu.edu

2017-07-10

The Earth and other rocky planets and planetesimals in the solar system formed through the mixing of materials from various radial locations in the solar nebula. This primordial material likely had a range of oxidation states as well as bulk compositions and volatile abundances. We investigate the oxygen fugacity produced by the outgassing of mixtures of solid meteoritic material, which approximate the primitive nebular materials. We find that the gas composition and oxygen fugacity of binary and ternary mixtures of meteoritic materials vary depending on the proportion of reduced versus oxidized material, and also find that mixtures using differentiated materialsmore » do not show the same oxygen fugacity trends as those using similarly reduced but undifferentiated materials. We also find that simply mixing the gases produced by individual meteoritic materials together does not correctly reproduce the gas composition or oxygen fugacity of the binary and ternary mixtures. We provide tabulated fits for the oxygen fugacities of all of the individual materials and binary mixtures that we investigate. These values may be useful in planetary formation models, models of volatile transport on planetesimals or meteorite parent bodies, or models of trace element partitioning during metal-silicate fractionation.« less

A mixed model framework for teratology studies.

PubMed

Braeken, Johan; Tuerlinckx, Francis

2009-10-01

A mixed model framework is presented to model the characteristic multivariate binary anomaly data as provided in some teratology studies. The key features of the model are the incorporation of covariate effects, a flexible random effects distribution by means of a finite mixture, and the application of copula functions to better account for the relation structure of the anomalies. The framework is motivated by data of the Boston Anticonvulsant Teratogenesis study and offers an integrated approach to investigate substantive questions, concerning general and anomaly-specific exposure effects of covariates, interrelations between anomalies, and objective diagnostic measurement.

A note about high blood pressure in childhood

NASA Astrophysics Data System (ADS)

Teodoro, M. Filomena; Simão, Carla

2017-06-01

In medical, behavioral and social sciences it is usual to get a binary outcome. In the present work is collected information where some of the outcomes are binary variables (1='yes'/ 0='no'). In [14] a preliminary study about the caregivers perception of pediatric hypertension was introduced. An experimental questionnaire was designed to be answered by the caregivers of routine pediatric consultation attendees in the Santa Maria's hospital (HSM). The collected data was statistically analyzed, where a descriptive analysis and a predictive model were performed. Significant relations between some socio-demographic variables and the assessed knowledge were obtained. In [14] can be found a statistical data analysis using partial questionnaire's information. The present article completes the statistical approach estimating a model for relevant remaining questions of questionnaire by Generalized Linear Models (GLM). Exploring the binary outcome issue, we intend to extend this approach using Generalized Linear Mixed Models (GLMM), but the process is still ongoing.

Getting More Ecologically Relevant Information from Laboratory Tests: Recovery of Lemna minor After Exposure to Herbicides and Their Mixtures.

PubMed

Knežević, Varja; Tunić, Tanja; Gajić, Pero; Marjan, Patricija; Savić, Danko; Tenji, Dina; Teodorović, Ivana

2016-11-01

Recovery after exposure to herbicides-atrazine, isoproturon, and trifluralin-their binary and ternary mixtures, was studied under laboratory conditions using a slightly adapted standard protocol for Lemna minor. The objectives of the present study were (1) to compare empirical to predicted toxicity of selected herbicide mixtures; (2) to assess L. minor recovery potential after exposure to selected individual herbicides and their mixtures; and (3) to suggest an appropriate recovery potential assessment approach and endpoint in a modified laboratory growth inhibition test. The deviation of empirical from predicted toxicity was highest in binary mixtures of dissimilarly acting herbicides. The concentration addition model slightly underestimated mixture effects, indicating potential synergistic interactions between photosynthetic inhibitors (atrazine and isoproturon) and a cell mitosis inhibitor (trifluralin). Recovery after exposure to the binary mixture of atrazine and isoproturon was fast and concentration-independent: no significant differences between relative growth rates (RGRs) in any of the mixtures (IC10 Mix , 25 Mix , and 50 Mix ) versus control level were recorded in the last interval of the recovery phase. The recovery of the plants exposed to binary and ternary mixtures of dissimilarly acting herbicides was strictly concentration-dependent. Only plants exposed to IC10 Mix , regardless of the herbicides, recovered RGRs close to control level in the last interval of the recovery phase. The inhibition of the RGRs in the last interval of the recovery phase compared with the control level is a proposed endpoint that could inform on reversibility of the effects and indicate possible mixture effects on plant population recovery potential.

A joint modeling and estimation method for multivariate longitudinal data with mixed types of responses to analyze physical activity data generated by accelerometers.

PubMed

Li, Haocheng; Zhang, Yukun; Carroll, Raymond J; Keadle, Sarah Kozey; Sampson, Joshua N; Matthews, Charles E

2017-11-10

A mixed effect model is proposed to jointly analyze multivariate longitudinal data with continuous, proportion, count, and binary responses. The association of the variables is modeled through the correlation of random effects. We use a quasi-likelihood type approximation for nonlinear variables and transform the proposed model into a multivariate linear mixed model framework for estimation and inference. Via an extension to the EM approach, an efficient algorithm is developed to fit the model. The method is applied to physical activity data, which uses a wearable accelerometer device to measure daily movement and energy expenditure information. Our approach is also evaluated by a simulation study. Copyright © 2017 John Wiley & Sons, Ltd.

Mixing-Induced Anisotropic Correlations in Molecular Crystalline Systems: Rationalizing the Behavior of Organic Semiconductor Blends

NASA Astrophysics Data System (ADS)

Broch, Katharina; Aufderheide, Antje; Novak, Jiri; Hinderhofer, Alexander; Gerlach, Alexander; Banerjee, Rupak; Schreiber, Frank

2013-03-01

Binary mixtures of organic semiconductors (OSCs) have recently become an important field of research, as they find applications in opto-electronic devices. In these systems, the mixing (intermixing vs. phase separation) and ordering behavior is crucial, since it affects the optical and electronic properties. We present a comprehensive study of binary mixtures of the three prototypical OSCs pentacene (PEN), perfluoropentacene (PFP) and diindenoperlyene (DIP) in all possible combinations. Using X-ray reflectivity and grazing incidence X-ray diffraction we investigate the stuctural properties of the mixed films as well as their impact on the optical spectra obtained by spectroscopic ellipsometry. For PEN:DIP we find an anisotropic ordering behavior, comparable to that observed in some liquid crystals, which is fundamentally new for OSCs. The influence of sterical compatibility and the strength of the intermolecular interactions on the mixing and ordering behavior in the different blends will be discussed by extending a conventional mean-field model. Finally, we discuss general rules for the targeted preparation of blends of OSCs.

Modeling the elastic energy of alloys: Potential pitfalls of continuum treatments.

PubMed

Baskaran, Arvind; Ratsch, Christian; Smereka, Peter

2015-12-01

Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density-functional calculations. The Keating model is a simplified atomistic formulation based on modeling elastic interactions of a binary alloy with harmonic springs whose equilibrium length is species dependent. It is demonstrated that the continuum limit for the strain field are the usual equations of linear elasticity for alloys and that they correctly capture the coarse-grained behavior of the displacement field. In addition, it is established that Euler-Lagrange equation of the continuum limit of the elastic energy will yield the same strain field equation. This is the same energy functional that is often used to model elastic effects in binary alloys. However, a direct calculation of the elastic energy atomistic model reveals that the continuum expression for the elastic energy is both qualitatively and quantitatively incorrect. This is because it does not take atomistic scale compositional nonuniformity into account. Importantly, this result also shows that finely mixed alloys tend to have more elastic energy than segregated systems, which is the exact opposite of predictions made by some continuum theories. It is also shown that for strained thin films the traditionally used effective misfit for alloys systematically underestimate the strain energy. In some models, this drawback is handled by including an elastic contribution to the enthalpy of mixing, which is characterized in terms of the continuum concentration. The direct calculation of the atomistic model reveals that this approach suffers serious difficulties. It is demonstrated that elastic contribution to the enthalpy of mixing is nonisotropic and scale dependent. It is also shown that such effects are present in density-functional theory calculations for the Si-Ge system. This work demonstrates that it is critical to include the microscopic arrangements in any elastic model to achieve even qualitatively correct behavior.

Retrospective Binary-Trait Association Test Elucidates Genetic Architecture of Crohn Disease

PubMed Central

Jiang, Duo; Zhong, Sheng; McPeek, Mary Sara

2016-01-01

In genetic association testing, failure to properly control for population structure can lead to severely inflated type 1 error and power loss. Meanwhile, adjustment for relevant covariates is often desirable and sometimes necessary to protect against spurious association and to improve power. Many recent methods to account for population structure and covariates are based on linear mixed models (LMMs), which are primarily designed for quantitative traits. For binary traits, however, LMM is a misspecified model and can lead to deteriorated performance. We propose CARAT, a binary-trait association testing approach based on a mixed-effects quasi-likelihood framework, which exploits the dichotomous nature of the trait and achieves computational efficiency through estimating equations. We show in simulation studies that CARAT consistently outperforms existing methods and maintains high power in a wide range of population structure settings and trait models. Furthermore, CARAT is based on a retrospective approach, which is robust to misspecification of the phenotype model. We apply our approach to a genome-wide analysis of Crohn disease, in which we replicate association with 17 previously identified regions. Moreover, our analysis on 5p13.1, an extensively reported region of association, shows evidence for the presence of multiple independent association signals in the region. This example shows how CARAT can leverage known disease risk factors to shed light on the genetic architecture of complex traits. PMID:26833331

VizieR Online Data Catalog: Low-mass helium white dwarfs evolutionary models (Istrate+, 2016)

NASA Astrophysics Data System (ADS)

Istrate, A.; Marchant, P.; Tauris, T. M.; Langer, N.; Stancliffe, R. J.; Grassitelli, L.

2016-07-01

Evolutionary models of low-mass helium white dwarfs including element diffusion and rotational mixing. The WDs are produced considering binary evolution through the LMXB channel, with final WDs masses between ~0.16-~0.44. The models are computed using MESA, for different metallicities: Z=0.02, 0.01, 0.001 and 0.0002. For each metallicity, the models are divided in three categories: (1) basic (no diffusion nor rotation are considered) (2) diffusion (element diffusion is considered) (3) rotation+diffusion (both element diffusion and rotational mixing are considered) (4 data files).

Phase-field modeling of mixing/demixing of regular binary mixtures with a composition-dependent viscosity

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2017-04-01

We simulate the mixing (demixing) process of a quiescent binary liquid mixture with a composition-dependent viscosity which is instantaneously brought from the two-phase (one-phase) to the one-phase (two-phase) region of its phase diagram. Our theoretical approach follows a standard diffuse-interface model of partially miscible regular binary mixtures wherein convection and diffusion are coupled via a nonequilibrium capillary force, expressing the tendency of the phase-separating system to minimize its free energy. Based on 2D simulation results, we discuss the influence of viscosity ratio on basic statistics of the mixing (segregation) process triggered by a rapid heating (quench), assuming that the ratio of capillary to viscous forces (a.k.a. the fluidity coefficient) is large. We show that, for a phase-separating system, at a fixed value of the fluidity coefficient (with the continuous phase viscosity taken as a reference), the separation depth and the characteristic length of single-phase microdomains decrease monotonically for increasing values of the viscosity of the dispersed phase. This variation, however, is quite small, in agreement with experimental results. On the other hand, as one might expect, at a fixed viscosity of the dispersed phase both of the above statistics increase monotonically as the viscosity of the continuous phase decreases. Finally, we show that for a mixing system the attainment of a single-phase equilibrium state by coalescence and diffusion is retarded by an increase in the viscosity ratio at a fixed fluidity for the dispersed phase. In fact, for large enough values of the viscosity ratio, a thin film of the continuous phase becomes apparent when two drops of the minority phase approach each other, which further retards coalescence.

A classical model for closed-loop diagrams of binary liquid mixtures

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

Schnitzler, J.v.; Prausnitz, J.M.

1994-03-01

A classical lattice model for closed-loop temperature-composition phase diagrams has been developed. It considers the effect of specific interactions, such as hydrogen bonding, between dissimilar components. This van Laar-type model includes a Flory-Huggins term for the excess entropy of mixing. It is applied to several liquid-liquid equilibria of nonelectrolytes, where the molecules of the two components differ in size. The model is able to represent the observed data semi-quantitatively, but in most cases it is not flexible enough to predict all parts of the closed loop quantitatively. The ability of the model to represent different binary systems is discussed. Finally,more » attention is given to a correction term, concerning the effect of concentration fluctuations near the upper critical solution temperature.« less

Modeling Learning in Doubly Multilevel Binary Longitudinal Data Using Generalized Linear Mixed Models: An Application to Measuring and Explaining Word Learning.

PubMed

Cho, Sun-Joo; Goodwin, Amanda P

2016-04-01

When word learning is supported by instruction in experimental studies for adolescents, word knowledge outcomes tend to be collected from complex data structure, such as multiple aspects of word knowledge, multilevel reader data, multilevel item data, longitudinal design, and multiple groups. This study illustrates how generalized linear mixed models can be used to measure and explain word learning for data having such complexity. Results from this application provide deeper understanding of word knowledge than could be attained from simpler models and show that word knowledge is multidimensional and depends on word characteristics and instructional contexts.

Stereoisomeric effects on dynamic viscosity versus pressure and temperature for the system cis- + trans-decalin

NASA Astrophysics Data System (ADS)

Miyake, Yasufumi; Boned, Christian; Baylaucq, Antoine; Bessières, David; Zéberg-Mikkelsen, Claus K.; Galliéro, Guillaume; Ushiki, Hideharu

2007-07-01

In order to study the influence of stereoisomeric effects on the dynamic viscosity, an extensive experimental study of the viscosity of the binary system composed of the two stereoisomeric molecular forms of decalin - cis and trans - has been carried out for five different mixtures at three temperatures (303.15, 323.15 and 343.15) K and six isobars up to 100 MPa with a falling-body viscometer (a total of 90 points). The experimental relative uncertainty is estimated to be 2%. The variations of dynamic viscosity versus composition are discussed with respect to their behavior due to stereoisomerism. Four different models with a physical and theoretical background are studied in order to investigate how they take the stereoisomeric effect into account through their required model parameters. The evaluated models are based on the hard-sphere scheme, the concepts of the free-volume and the friction theory, and a model derived from molecular dynamics. Overall, a satisfactory representation of the viscosity of this binary system is found for the different models within the considered ( T, p) range taken into account their simplicity. All the models are able to distinguish between the two stereoisomeric decalin compounds. Further, based on the analysis of the model parameters performed on the pure compounds, it has been found that the use of simple mixing rules without introducing any binary interaction parameters are sufficient in order to predict the viscosity of cis + trans-decalin mixtures with the same accuracy in comparison with the experimental values as obtained for the pure compounds. In addition to these models, a semi-empirical self-referencing model and the simple mixing laws of Grunberg-Nissan and Katti-Chaudhri are also applied in the representation of the viscosity behavior of these systems.

Competition and enhancement effect in coremoval of atenolol and copper by an easily regenerative magnetic cation exchange resin.

PubMed

Li, Qimeng; Wang, Zheng; Li, Qiang; Shuang, Chendong; Zhou, Qing; Li, Aimin; Gao, Canzhu

2017-07-01

This paper aimed to investigate the removal of combined Cu 2+ and atenolol (ATL) in aqueous solution by using a newly synthesized magnetic cation exchange resin (MCER) as the adsorbent. The MCER exhibited efficient removal performance in sole, binary, pre-loading and saline systems. The adsorption kinetics of Cu 2+ and ATL fitted both pseudo-first-order and pseudo-second order model, while better described by pseudo-second order model in binary system. In mixed Cu 2+ and ATL solution, the adsorption of ATL was suppressed due to direct competition of carboxylic groups, while Cu 2+ adsorption was enhanced because of the formation of surface complexes. This increasing in heterogeneity was demonstrated by adsorption isotherms, which were more suitable for Freundlich model in binary system, while better described by Langmuir model in sole system. As proved by FTIR and XPS spectra, both amino and hydroxyl groups of ATL could form complexes with Cu 2+ . Decomplexing-bridging interaction was elucidated as the leading mechanism in coremoval of Cu 2+ and ATL, which involved [Cu-ATL] decomplexing and newly created Cu- or ATL sites for additional bridging. For saline system, the resulting competition and enhancement effects in mixed solution were amplified with the addition of co-existing cations. Moreover, the MCER could be effectively regenerated by 0.01 M HCl solution and maintain high stability over 5 adsorption-desorption cycles, which render it great potential for practical applications. Copyright © 2017. Published by Elsevier Ltd.

Modelling the growth kinetics of Kocuria marina DAGII as a function of single and binary substrate during batch production of β-Cryptoxanthin.

PubMed

Mitra, Ruchira; Chaudhuri, Surabhi; Dutta, Debjani

2017-01-01

In the present investigation, growth kinetics of Kocuria marina DAGII during batch production of β-Cryptoxanthin (β-CRX) was studied by considering the effect of glucose and maltose as a single and binary substrate. The importance of mixed substrate over single substrate has been emphasised in the present study. Different mathematical models namely, the Logistic model for cell growth, the Logistic mass balance equation for substrate consumption and the Luedeking-Piret model for β-CRX production were successfully implemented. Model-based analyses for the single substrate experiments suggested that the concentrations of glucose and maltose higher than 7.5 and 10.0 g/L, respectively, inhibited the growth and β-CRX production by K. marina DAGII. The Han and Levenspiel model and the Luong product inhibition model accurately described the cell growth in glucose and maltose substrate systems with a R 2 value of 0.9989 and 0.9998, respectively. The effect of glucose and maltose as binary substrate was further investigated. The binary substrate kinetics was well described using the sum-kinetics with interaction parameters model. The results of production kinetics revealed that the presence of binary substrate in the cultivation medium increased the biomass and β-CRX yield significantly. This study is a first time detailed investigation on kinetic behaviours of K. marina DAGII during β-CRX production. The parameters obtained in the study might be helpful for developing strategies for commercial production of β-CRX by K. marina DAGII.

Logistic Mixed Models to Investigate Implicit and Explicit Belief Tracking.

PubMed

Lages, Martin; Scheel, Anne

2016-01-01

We investigated the proposition of a two-systems Theory of Mind in adults' belief tracking. A sample of N = 45 participants predicted the choice of one of two opponent players after observing several rounds in an animated card game. Three matches of this card game were played and initial gaze direction on target and subsequent choice predictions were recorded for each belief task and participant. We conducted logistic regressions with mixed effects on the binary data and developed Bayesian logistic mixed models to infer implicit and explicit mentalizing in true belief and false belief tasks. Although logistic regressions with mixed effects predicted the data well a Bayesian logistic mixed model with latent task- and subject-specific parameters gave a better account of the data. As expected explicit choice predictions suggested a clear understanding of true and false beliefs (TB/FB). Surprisingly, however, model parameters for initial gaze direction also indicated belief tracking. We discuss why task-specific parameters for initial gaze directions are different from choice predictions yet reflect second-order perspective taking.

Thermodynamic properties of model CdTe/CdSe mixtures

DOE PAGES

van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; ...

2015-02-20

We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

Enthalpies of mixing of liquid systems for lead free soldering: Co–Sb–Sn

PubMed Central

Elmahfoudi, A.; Sabbar, A.; Flandorfer, H.

2012-01-01

The partial and integral enthalpy of mixing of molten ternary Co–Sb–Sn alloys was determined performing high temperature drop calorimetry in a large compositional range at 1273 K. Measurements have been done along five sections, xSb/xSn ≈ 1:1, xSb/xSn ≈ 1:3, xSb/xSn ≈ 3:1, xCo/xSn ≈ 1:4, and xCo/xSb ≈ 1:5. Additionally, binary alloys of the constituent systems Co–Sb and Co–Sn were investigated at the same temperature. All the binary data were evaluated by means of a standard Redlich–Kister polynomial fit whereas ternary data were fitted on the basis of an extended Redlich–Kister–Muggianu model for substitutional solutions. An iso-enthalpy plot of the ternary system was constructed. In addition, the extrapolation Model of Toop was applied and compared to our data. PMID:27087752

Enthalpies of mixing of liquid systems for lead free soldering: Co-Sb-Sn.

PubMed

Elmahfoudi, A; Sabbar, A; Flandorfer, H

2012-04-01

The partial and integral enthalpy of mixing of molten ternary Co-Sb-Sn alloys was determined performing high temperature drop calorimetry in a large compositional range at 1273 K. Measurements have been done along five sections, x Sb / x Sn  ≈ 1:1, x Sb / x Sn  ≈ 1:3, x Sb / x Sn  ≈ 3:1, x Co / x Sn  ≈ 1:4, and x Co / x Sb  ≈ 1:5. Additionally, binary alloys of the constituent systems Co-Sb and Co-Sn were investigated at the same temperature. All the binary data were evaluated by means of a standard Redlich-Kister polynomial fit whereas ternary data were fitted on the basis of an extended Redlich-Kister-Muggianu model for substitutional solutions. An iso-enthalpy plot of the ternary system was constructed. In addition, the extrapolation Model of Toop was applied and compared to our data.

The COBAIN (COntact Binary Atmospheres with INterpolation) Code for Radiative Transfer

NASA Astrophysics Data System (ADS)

Kochoska, Angela; Prša, Andrej; Horvat, Martin

2018-01-01

Standard binary star modeling codes make use of pre-existing solutions of the radiative transfer equation in stellar atmospheres. The various model atmospheres available today are consistently computed for single stars, under different assumptions - plane-parallel or spherical atmosphere approximation, local thermodynamical equilibrium (LTE) or non-LTE (NLTE), etc. However, they are nonetheless being applied to contact binary atmospheres by populating the surface corresponding to each component separately and neglecting any mixing that would typically occur at the contact boundary. In addition, single stellar atmosphere models do not take into account irradiance from a companion star, which can pose a serious problem when modeling close binaries. 1D atmosphere models are also solved under the assumption of an atmosphere in hydrodynamical equilibrium, which is not necessarily the case for contact atmospheres, as the potentially different densities and temperatures can give rise to flows that play a key role in the heat and radiation transfer.To resolve the issue of erroneous modeling of contact binary atmospheres using single star atmosphere tables, we have developed a generalized radiative transfer code for computation of the normal emergent intensity of a stellar surface, given its geometry and internal structure. The code uses a regular mesh of equipotential surfaces in a discrete set of spherical coordinates, which are then used to interpolate the values of the structural quantites (density, temperature, opacity) in any given point inside the mesh. The radiaitive transfer equation is numerically integrated in a set of directions spanning the unit sphere around each point and iterated until the intensity values for all directions and all mesh points converge within a given tolerance. We have found that this approach, albeit computationally expensive, is the only one that can reproduce the intensity distribution of the non-symmetric contact binary atmosphere and can be used with any existing or new model of the structure of contact binaries. We present results on several test objects and future prospects of the implementation in state-of-the-art binary star modeling software.

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

NASA Astrophysics Data System (ADS)

Balankina, E. S.

2016-06-01

Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

Physics of Accretion in X-Ray Binaries

NASA Technical Reports Server (NTRS)

Vrtilek, Saeqa D.

2004-01-01

This project consists of several related investigations directed to the study of mass transfer processes in X-ray binaries. Models developed over several years incorporating highly detailed physics will be tested on a balanced mix of existing data and planned observations with both ground and space-based observatories. The extended time coverage of the observations and the existence of {\\it simultaneous} X-ray, ultraviolet, and optical observations will be particularly beneficial for studying the accretion flows. These investigations, which take as detailed a look at the accretion process in X-ray binaries as is now possible, test current models to their limits, and force us to extend them. We now have the ability to do simultaneous ultraviolet/X-ray/optical spectroscopy with HST, Chandra, XMM, and ground-based observatories. The rich spectroscopy that these Observations give us must be interpreted principally by reference to detailed models, the development of which is already well underway; tests of these essential interpretive tools are an important product of the proposed investigations.

The Physics of Accretion in X-Ray Binaries

NASA Technical Reports Server (NTRS)

Vrtilek, S.; Oliversen, Ronald (Technical Monitor)

2001-01-01

This project consists of several related investigations directed to the study of mass transfer processes in X-ray binaries. Models developed over several years incorporating highly detailed physics will be tested on a balanced mix of existing data and planned observations with both ground and space-based observatories. The extended time coverage of the observations and the existence of simultaneous X-ray, ultraviolet, and optical observations will be particularly beneficial for studying the accretion flows. These investigations, which take as detailed a look at the accretion process in X-ray binaries as is now possible, test current models to their limits, and force us to extend them. We now have the ability to do simultaneous ultraviolet/X-ray/optical spectroscopy with HST, Chandra, XMM, and ground-based observatories. The rich spectroscopy that these observations give us must be interpreted principally by reference to detailed models, the development of which is already well underway; tests of these essential interpretive tools are an important product of the proposed investigations.

Experimental evidence for excess entropy discontinuities in glass-forming solutions.

PubMed

Lienhard, Daniel M; Zobrist, Bernhard; Zuend, Andreas; Krieger, Ulrich K; Peter, Thomas

2012-02-21

Glass transition temperatures T(g) are investigated in aqueous binary and multi-component solutions consisting of citric acid, calcium nitrate (Ca(NO(3))(2)), malonic acid, raffinose, and ammonium bisulfate (NH(4)HSO(4)) using a differential scanning calorimeter. Based on measured glass transition temperatures of binary aqueous mixtures and fitted binary coefficients, the T(g) of multi-component systems can be predicted using mixing rules. However, the experimentally observed T(g) in multi-component solutions show considerable deviations from two theoretical approaches considered. The deviations from these predictions are explained in terms of the molar excess mixing entropy difference between the supercooled liquid and glassy state at T(g). The multi-component mixtures involve contributions to these excess mixing entropies that the mixing rules do not take into account. © 2012 American Institute of Physics

Heat of mixing and morphological stability

NASA Technical Reports Server (NTRS)

Nandapurkar, P.; Poirier, D. R.

1988-01-01

A mathematical model, which incorporates heat of mixing in the energy balance, has been developed to analyze the morphological stability of a planar solid-liquid interface during the directional solidification of a binary alloy. It is observed that the stability behavior is almost that predicted by the analysis of Mullins and Sekerka (1963) at low growth velocities, while deviations in the critical concentration of about 20-25 percent are observed under rapid solidification conditions for certain systems. The calculations indicate that a positive heat of mixing makes the planar interface more unstable, whereas a negative heat of mixing makes it more stable, in terms of the critical concentration.

pKa values of hyodeoxycholic and cholic acids in the binary mixed micelles sodium-hyodeoxycholate-Tween 40 and sodium-cholate-Tween 40: Thermodynamic stability of the micelle and the cooperative hydrogen bond formation with the steroid skeleton.

PubMed

Poša, Mihalj; Pilipović, Ana; Bećarević, Mirjana; Farkaš, Zita

2017-01-01

Due to a relatively small size of bile acid salts, their mixed micelles with nonionic surfactants are analysed. Of the special interests are real binary mixed micelles that are thermodynamically more stable than ideal mixed micelles. Thermodynamic stability is expressed with an excess Gibbs energy (G E ) or over an interaction parameter (β ij ). In this paper sodium salts of cholic (C) and hyodeoxycholic acid (HD) in their mixed micelles with Tween 40 (T40) are analysed by potentiometric titration and their pKa values are determined. Examined bile acids in mixed micelles with T40 have higher pKa values than free bile acids. The increase of ΔpKa acid constant of micellary bound C and HD is in a correlation with absolute values of an interaction parameter. According to an interaction parameter and an excess Gibbs energy, mixed micelle HD-T40 are thermodynamically more stable than mixed micelles C-T40. ΔpKa values are higher for mixed micelles with Tween 40 whose second building unit is HD, related to the building unit C. In both micellar systems, ΔpKa increases with the rise of a molar fraction of Tween 40 in binary mixtures of surfactants with sodium salts of bile acids. This suggests that, ΔpKa can be a measure of a thermodynamic stabilization of analysed binary mixed micelles as well as an interaction parameter. ΔpKa values are confirmed by determination of a distribution coefficient of HD and C in systems: water phase with Tween 40 in a micellar concentration and 1-octanol, with a change of a pH value of a water phase. Conformational analyses suggests that synergistic interactions between building units of analysed binary micelles originates from formation of hydrogen bonds between steroid OH groups and polyoxyethylene groups of the T40. Relative similarity and spatial orientation of C 3 and C 6 OH group allows cooperative formation of hydrogen bonds between T40 and HD - excess entropy in formation of mixed micelle. If a water solution of analysed binary mixtures of surfactants contains urea in concentration of 4M significant decreases of an interaction parameter value happens which confirms the importance of hydrogen bonds in synergistic interactions (urea compete in hydrogen bonds). Copyright © 2016 Elsevier Inc. All rights reserved.

How large are the consequences of covariate imbalance in cluster randomized trials: a simulation study with a continuous outcome and a binary covariate at the cluster level.

PubMed

Moerbeek, Mirjam; van Schie, Sander

2016-07-11

The number of clusters in a cluster randomized trial is often low. It is therefore likely random assignment of clusters to treatment conditions results in covariate imbalance. There are no studies that quantify the consequences of covariate imbalance in cluster randomized trials on parameter and standard error bias and on power to detect treatment effects. The consequences of covariance imbalance in unadjusted and adjusted linear mixed models are investigated by means of a simulation study. The factors in this study are the degree of imbalance, the covariate effect size, the cluster size and the intraclass correlation coefficient. The covariate is binary and measured at the cluster level; the outcome is continuous and measured at the individual level. The results show covariate imbalance results in negligible parameter bias and small standard error bias in adjusted linear mixed models. Ignoring the possibility of covariate imbalance while calculating the sample size at the cluster level may result in a loss in power of at most 25 % in the adjusted linear mixed model. The results are more severe for the unadjusted linear mixed model: parameter biases up to 100 % and standard error biases up to 200 % may be observed. Power levels based on the unadjusted linear mixed model are often too low. The consequences are most severe for large clusters and/or small intraclass correlation coefficients since then the required number of clusters to achieve a desired power level is smallest. The possibility of covariate imbalance should be taken into account while calculating the sample size of a cluster randomized trial. Otherwise more sophisticated methods to randomize clusters to treatments should be used, such as stratification or balance algorithms. All relevant covariates should be carefully identified, be actually measured and included in the statistical model to avoid severe levels of parameter and standard error bias and insufficient power levels.

Marginal and Random Intercepts Models for Longitudinal Binary Data With Examples From Criminology.

PubMed

Long, Jeffrey D; Loeber, Rolf; Farrington, David P

2009-01-01

Two models for the analysis of longitudinal binary data are discussed: the marginal model and the random intercepts model. In contrast to the linear mixed model (LMM), the two models for binary data are not subsumed under a single hierarchical model. The marginal model provides group-level information whereas the random intercepts model provides individual-level information including information about heterogeneity of growth. It is shown how a type of numerical averaging can be used with the random intercepts model to obtain group-level information, thus approximating individual and marginal aspects of the LMM. The types of inferences associated with each model are illustrated with longitudinal criminal offending data based on N = 506 males followed over a 22-year period. Violent offending indexed by official records and self-report were analyzed, with the marginal model estimated using generalized estimating equations and the random intercepts model estimated using maximum likelihood. The results show that the numerical averaging based on the random intercepts can produce prediction curves almost identical to those obtained directly from the marginal model parameter estimates. The results provide a basis for contrasting the models and the estimation procedures and key features are discussed to aid in selecting a method for empirical analysis.

A Bayesian Framework for Generalized Linear Mixed Modeling Identifies New Candidate Loci for Late-Onset Alzheimer’s Disease

PubMed Central

Wang, Xulong; Philip, Vivek M.; Ananda, Guruprasad; White, Charles C.; Malhotra, Ankit; Michalski, Paul J.; Karuturi, Krishna R. Murthy; Chintalapudi, Sumana R.; Acklin, Casey; Sasner, Michael; Bennett, David A.; De Jager, Philip L.; Howell, Gareth R.; Carter, Gregory W.

2018-01-01

Recent technical and methodological advances have greatly enhanced genome-wide association studies (GWAS). The advent of low-cost, whole-genome sequencing facilitates high-resolution variant identification, and the development of linear mixed models (LMM) allows improved identification of putatively causal variants. While essential for correcting false positive associations due to sample relatedness and population stratification, LMMs have commonly been restricted to quantitative variables. However, phenotypic traits in association studies are often categorical, coded as binary case-control or ordered variables describing disease stages. To address these issues, we have devised a method for genomic association studies that implements a generalized LMM (GLMM) in a Bayesian framework, called Bayes-GLMM. Bayes-GLMM has four major features: (1) support of categorical, binary, and quantitative variables; (2) cohesive integration of previous GWAS results for related traits; (3) correction for sample relatedness by mixed modeling; and (4) model estimation by both Markov chain Monte Carlo sampling and maximal likelihood estimation. We applied Bayes-GLMM to the whole-genome sequencing cohort of the Alzheimer’s Disease Sequencing Project. This study contains 570 individuals from 111 families, each with Alzheimer’s disease diagnosed at one of four confidence levels. Using Bayes-GLMM we identified four variants in three loci significantly associated with Alzheimer’s disease. Two variants, rs140233081 and rs149372995, lie between PRKAR1B and PDGFA. The coded proteins are localized to the glial-vascular unit, and PDGFA transcript levels are associated with Alzheimer’s disease-related neuropathology. In summary, this work provides implementation of a flexible, generalized mixed-model approach in a Bayesian framework for association studies. PMID:29507048

Prevalence of pure versus mixed snow cover pixels across spatial resolutions in alpine environments: implications for binary and fractional remote sensing approaches

USGS Publications Warehouse

Selkowitz, David J.; Forster, Richard; Caldwell, Megan K.

2014-01-01

Remote sensing of snow-covered area (SCA) can be binary (indicating the presence/absence of snow cover at each pixel) or fractional (indicating the fraction of each pixel covered by snow). Fractional SCA mapping provides more information than binary SCA, but is more difficult to implement and may not be feasible with all types of remote sensing data. The utility of fractional SCA mapping relative to binary SCA mapping varies with the intended application as well as by spatial resolution, temporal resolution and period of interest, and climate. We quantified the frequency of occurrence of partially snow-covered (mixed) pixels at spatial resolutions between 1 m and 500 m over five dates at two study areas in the western U.S., using 0.5 m binary SCA maps derived from high spatial resolution imagery aggregated to fractional SCA at coarser spatial resolutions. In addition, we used in situ monitoring to estimate the frequency of partially snow-covered conditions for the period September 2013–August 2014 at 10 60-m grid cell footprints at two study areas with continental snow climates. Results from the image analysis indicate that at 40 m, slightly above the nominal spatial resolution of Landsat, mixed pixels accounted for 25%–93% of total pixels, while at 500 m, the nominal spatial resolution of MODIS bands used for snow cover mapping, mixed pixels accounted for 67%–100% of total pixels. Mixed pixels occurred more commonly at the continental snow climate site than at the maritime snow climate site. The in situ data indicate that some snow cover was present between 186 and 303 days, and partial snow cover conditions occurred on 10%–98% of days with snow cover. Four sites remained partially snow-free throughout most of the winter and spring, while six sites were entirely snow covered throughout most or all of the winter and spring. Within 60 m grid cells, the late spring/summer transition from snow-covered to snow-free conditions lasted 17–56 days and averaged 37 days. Our results suggest that mixed snow-covered snow-free pixels are common at the spatial resolutions imaged by both the Landsat and MODIS sensors. This highlights the additional information available from fractional SCA products and suggests fractional SCA can provide a major advantage for hydrological and climatological monitoring and modeling, particularly when accurate representation of the spatial distribution of snow cover is critical.

Estimation of the viscosities of liquid binary alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Su, Xiang-Yu

2018-01-01

As one of the most important physical and chemical properties, viscosity plays a critical role in physics and materials as a key parameter to quantitatively understanding the fluid transport process and reaction kinetics in metallurgical process design. Experimental and theoretical studies on liquid metals are problematic. Today, there are many empirical and semi-empirical models available with which to evaluate the viscosity of liquid metals and alloys. However, the parameter of mixed energy in these models is not easily determined, and most predictive models have been poorly applied. In the present study, a new thermodynamic parameter Δ G is proposed to predict liquid alloy viscosity. The prediction equation depends on basic physical and thermodynamic parameters, namely density, melting temperature, absolute atomic mass, electro-negativity, electron density, molar volume, Pauling radius, and mixing enthalpy. Our results show that the liquid alloy viscosity predicted using the proposed model is closely in line with the experimental values. In addition, if the component radius difference is greater than 0.03 nm at a certain temperature, the atomic size factor has a significant effect on the interaction of the binary liquid metal atoms. The proposed thermodynamic parameter Δ G also facilitates the study of other physical properties of liquid metals.

Synthesis and characterization of binary titania-silica mixed oxides

NASA Astrophysics Data System (ADS)

Budhi, Sridhar

A series of binary titania-silica mixed oxides were synthesized by the sol-gel method at room temperature. The mixed oxides were prepared that involved the hydrolysis of titanium isopropoxide and tetraethylorthosilicate (TEOS) by co-solvent induced gelation usually in acidic media. The resulting gels were dried, calcined and then characterized by powder X-ray diffractometric studies, nitrogen sorption studies (at 77K), diffuse reflectance spectroscopy, Raman microscopy and transmission electron microscopic studies. The nitrogen sorption studies indicate that the specific surface areas, pore volume, pore diameter and pore size distribution of the mixed oxides were substantially enhanced when non-polar solvents such as toluene, p-xylene or mesitylene were added as co-solvents to the synthesis gel. Transmission electron microscopic (TEM) studies confirm the results obtained from the nitrogen sorption studies. Our results indicate that we can obtain binary metal oxides possessing high surface area and large pore volumes with tunable pore size distribution at room temperature. Photocatalytic evaluation of the mixed oxides is currently in progress.

Exact statistical results for binary mixing and reaction in variable density turbulence

NASA Astrophysics Data System (ADS)

Ristorcelli, J. R.

2017-02-01

We report a number of rigorous statistical results on binary active scalar mixing in variable density turbulence. The study is motivated by mixing between pure fluids with very different densities and whose density intensity is of order unity. Our primary focus is the derivation of exact mathematical results for mixing in variable density turbulence and we do point out the potential fields of application of the results. A binary one step reaction is invoked to derive a metric to asses the state of mixing. The mean reaction rate in variable density turbulent mixing can be expressed, in closed form, using the first order Favre mean variables and the Reynolds averaged density variance, ⟨ρ2⟩ . We show that the normalized density variance, ⟨ρ2⟩ , reflects the reduction of the reaction due to mixing and is a mix metric. The result is mathematically rigorous. The result is the variable density analog, the normalized mass fraction variance ⟨c2⟩ used in constant density turbulent mixing. As a consequence, we demonstrate that use of the analogous normalized Favre variance of the mass fraction, c″ ⁣2˜ , as a mix metric is not theoretically justified in variable density turbulence. We additionally derive expressions relating various second order moments of the mass fraction, specific volume, and density fields. The central role of the density specific volume covariance ⟨ρ v ⟩ is highlighted; it is a key quantity with considerable dynamical significance linking various second order statistics. For laboratory experiments, we have developed exact relations between the Reynolds scalar variance ⟨c2⟩ its Favre analog c″ ⁣2˜ , and various second moments including ⟨ρ v ⟩ . For moment closure models that evolve ⟨ρ v ⟩ and not ⟨ρ2⟩ , we provide a novel expression for ⟨ρ2⟩ in terms of a rational function of ⟨ρ v ⟩ that avoids recourse to Taylor series methods (which do not converge for large density differences). We have derived analytic results relating several other second and third order moments and see coupling between odd and even order moments demonstrating a natural and inherent skewness in the mixing in variable density turbulence. The analytic results have applications in the areas of isothermal material mixing, isobaric thermal mixing, and simple chemical reaction (in progress variable formulation).

Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level.

PubMed

Aslan, Mikail; Davis, Jack B A; Johnston, Roy L

2016-03-07

The global optimisation of small bimetallic PdCo binary nanoalloys are systematically investigated using the Birmingham Cluster Genetic Algorithm (BCGA). The effect of size and composition on the structures, stability, magnetic and electronic properties including the binding energies, second finite difference energies and mixing energies of Pd-Co binary nanoalloys are discussed. A detailed analysis of Pd-Co structural motifs and segregation effects is also presented. The maximal mixing energy corresponds to Pd atom compositions for which the number of mixed Pd-Co bonds is maximised. Global minimum clusters are distinguished from transition states by vibrational frequency analysis. HOMO-LUMO gap, electric dipole moment and vibrational frequency analyses are made to enable correlation with future experiments.

Diffuse interface method for a compressible binary fluid.

PubMed

Liu, Jiewei; Amberg, Gustav; Do-Quang, Minh

2016-01-01

Multicomponent, multiphase, compressible flows are very important in real life, as well as in scientific research, while their modeling is in an early stage. In this paper, we propose a diffuse interface model for compressible binary mixtures, based on the balance of mass, momentum, energy, and the second law of thermodynamics. We show both analytically and numerically that this model is able to describe the phase equilibrium for a real binary mixture (CO_{2} + ethanol is considered in this paper) very well by adjusting the parameter which measures the attraction force between molecules of the two components in the model. We also show that the calculated surface tension of the CO_{2} + ethanol mixture at different concentrations match measurements in the literature when the mixing capillary coefficient is taken to be the geometric mean of the capillary coefficient of each component. Three different cases of two droplets in a shear flow, with the same or different concentration, are simulated, showing that the higher concentration of CO_{2} the smaller the surface tension and the easier the drop deforms.

Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes

NASA Astrophysics Data System (ADS)

Moine, Edouard; Privat, Romain; Sirjean, Baptiste; Jaubert, Jean-Noël

2017-09-01

The Gibbs energy of solvation measures the affinity of a solute for its solvent and is thus a key property for the selection of an appropriate solvent for a chemical synthesis or a separation process. More fundamentally, Gibbs energies of solvation are choice data for developing and benchmarking molecular models predicting solvation effects. The Comprehensive Solvation—CompSol—database was developed with the ambition to propose very large sets of new experimental solvation chemical-potential, solvation entropy, and solvation enthalpy data of pure and mixed components, covering extended temperature ranges. For mixed compounds, the solvation quantities were generated in infinite-dilution conditions by combining experimental values of pure-component and binary-mixture thermodynamic properties. Three types of binary-mixture properties were considered: partition coefficients, activity coefficients at infinite dilution, and Henry's-law constants. A rigorous methodology was implemented with the aim to select data at appropriate conditions of temperature, pressure, and concentration for the estimation of solvation data. Finally, our comprehensive CompSol database contains 21 671 data associated with 1969 pure species and 70 062 data associated with 14 102 binary mixtures (including 760 solvation data related to the ionic-liquid class of solvents). On the basis of the very large amount of experimental data contained in the CompSol database, it is finally discussed how solvation energies are influenced by hydrogen-bonding association effects.

Colliding Winds in Symbiotic Binary Systems. I. Analytic and Numerical Solutions

NASA Astrophysics Data System (ADS)

Kenny, H. T.; Taylor, A. R.

2005-01-01

We present new formulations of binary colliding wind models appropriate to symbiotic star systems. The derived models differ from previous formulations in assuming mixing of the shocked material from both incoming streams, rather than postulating a self-sustaining contact discontinuity. The CWb model (colliding winds, binary) extends the work of Girard and Willson by the derivation of an adiabatic temperature, the consideration of radiative cooling, the inclusion of thermal pressures in the incoming winds, and the treatment of interaction shells of finite thickness and density. The finite thickness of the interaction shell allows for calculation of its radiative intensity distribution. The CWc model (colliding winds, concentric) is a similar extension of the model of Kwok, Purton, and Fitzgerald. It is derived in a manner parallel to that of the CWb model, thereby facilitating a unification of the two models. A unified model is desired since wind collisions in symbiotic systems should include aspects of both CWb and CWc interactions. Two examples of model applications are presented: a comparison of the flux densities arising from colliding winds (CWb model) with those arising from the ionization of the surrounding medium (STB model) in the galactic population of symbiotic stars, and model imaging of the symbiotic nova HM Sge.

Subcritical and supercritical fuel injection and mixing in single and binary species systems

NASA Astrophysics Data System (ADS)

Roy, Arnab

Subcritical and supercritical fluid injection using a single round injector into a quiescent atmosphere comprising single and binary species was investigated using optical diagnostics. Different disintegration and mixing modes are expected for the two cases. In the binary species case, the atmosphere comprised an inert gas of a different composition than that of the injected fluid. In single species case, the atmosphere consisted of the same species as that of the injected fluid. Density values were quantified and density gradient profiles were inferred from the experimental data. A novel method was applied for the detection of detailed structures throughout the entire jet center plane. Various combinations of injectant and chamber conditions were tested and a wide range of density ratios were covered. The subcritical cases demonstrated the importance of surface tension and inertial forces, while the supercritical cases showed no signs of surface tension and, in most situations, resembled the mixing characteristics of a gaseous jet injected into a gaseous environment. A comparison between the single and binary species systems has also been provided. A detailed laser calibration procedure was undertaken to account for the laser absorption through the gas and liquid phases and for fluorescence in the non-linear excitation regime for high laser pulse energy. Core lengths were measured for binary species cases and correlated with visualization results. An eigenvalue approach was taken to determine the location of maximum gradients for determining the core length. Jet divergence angles were also calculated and were found to increase with chamber-to-injectant density ratio for both systems. A model was proposed for the spreading angle dependence on density ratio for both single and binary species systems and was compared to existing theoretical studies and experimental work. Finally, a linear stability analysis was performed for the jet injected into both subcritical and supercritical atmospheres. The subcritical cases showed good correlation with previous and current experimental results. The supercritical solutions, which have not yet been solved earlier by researchers, are found here through an asymptotic solution of the dispersion equation for exceedingly high Weber numbers.

Investigating risk factors of traffic casualties at private highway-railroad grade crossings in the United States.

PubMed

Haleem, Kirolos

2016-10-01

Private highway-railroad grade crossings (HRGCs) are intersections of highways and railroads on roadways that are not maintained by a public authority. Since no public authority maintains private HRGCs, fatal and injury crashes at these locations are of concern. However, no study has been conducted at private HRGCs to identify the safety issues that might exist and how to alleviate them. This study identifies the significant predictors of traffic casualties (including both injuries and fatalities) at private HRGCs in the U.S. using six years of nationwide crashes from 2009 to 2014. Two levels of injury severity were considered, injury (including fatalities and injuries) and no injury. The study investigates multiple predictors, e.g., temporal crash characteristics, geometry, railroad, traffic, vehicle, and environment. The study applies both the mixed logit and binary logit models. The mixed logit model was found to outperform the binary logit model. The mixed logit model revealed that drivers who did not stop, railroad equipment that struck highway users, higher train speeds, non-presence of advance warning signs, concrete road surface type, and cloudy weather were associated with an increase in injuries and fatalities. For example, a one-mile-per-hour higher train speed increases the probability of fatality by 22%. On the contrary, male drivers, PM peak periods, and presence of warning devices at both approaches were associated with a fatality reduction. Potential strategies are recommended to alleviate injuries and fatalities at private HRGCs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Logistic Mixed Models to Investigate Implicit and Explicit Belief Tracking

PubMed Central

Lages, Martin; Scheel, Anne

2016-01-01

We investigated the proposition of a two-systems Theory of Mind in adults’ belief tracking. A sample of N = 45 participants predicted the choice of one of two opponent players after observing several rounds in an animated card game. Three matches of this card game were played and initial gaze direction on target and subsequent choice predictions were recorded for each belief task and participant. We conducted logistic regressions with mixed effects on the binary data and developed Bayesian logistic mixed models to infer implicit and explicit mentalizing in true belief and false belief tasks. Although logistic regressions with mixed effects predicted the data well a Bayesian logistic mixed model with latent task- and subject-specific parameters gave a better account of the data. As expected explicit choice predictions suggested a clear understanding of true and false beliefs (TB/FB). Surprisingly, however, model parameters for initial gaze direction also indicated belief tracking. We discuss why task-specific parameters for initial gaze directions are different from choice predictions yet reflect second-order perspective taking. PMID:27853440

A phase field model for segregation and precipitation induced by irradiation in alloys

NASA Astrophysics Data System (ADS)

Badillo, A.; Bellon, P.; Averback, R. S.

2015-04-01

A phase field model is introduced to model the evolution of multicomponent alloys under irradiation, including radiation-induced segregation and precipitation. The thermodynamic and kinetic components of this model are derived using a mean-field model. The mobility coefficient and the contribution of chemical heterogeneity to free energy are rescaled by the cell size used in the phase field model, yielding microstructural evolutions that are independent of the cell size. A new treatment is proposed for point defect clusters, using a mixed discrete-continuous approach to capture the stochastic character of defect cluster production in displacement cascades, while retaining the efficient modeling of the fate of these clusters using diffusion equations. The model is tested on unary and binary alloy systems using two-dimensional simulations. In a unary system, the evolution of point defects under irradiation is studied in the presence of defect clusters, either pre-existing ones or those created by irradiation, and compared with rate theory calculations. Binary alloys with zero and positive heats of mixing are then studied to investigate the effect of point defect clustering on radiation-induced segregation and precipitation in undersaturated solid solutions. Lastly, irradiation conditions and alloy parameters leading to irradiation-induced homogeneous precipitation are investigated. The results are discussed in the context of experimental results reported for Ni-Si and Al-Zn undersaturated solid solutions subjected to irradiation.

Oxygen diffusion model of the mixed (U,Pu)O2 ± x: Assessment and application

NASA Astrophysics Data System (ADS)

Moore, Emily; Guéneau, Christine; Crocombette, Jean-Paul

2017-03-01

The uranium-plutonium (U,Pu)O2 ± x mixed oxide (MOX) is used as a nuclear fuel in some light water reactors and considered for future reactor generations. To gain insight into fuel restructuring, which occurs during the fuel lifetime as well as possible accident scenarios understanding of the thermodynamic and kinetic behavior is crucial. A comprehensive evaluation of thermo-kinetic properties is incorporated in a computational CALPHAD type model. The present DICTRA based model describes oxygen diffusion across the whole range of plutonium, uranium and oxygen compositions and temperatures by incorporating vacancy and interstitial migration pathways for oxygen. The self and chemical diffusion coefficients are assessed for the binary UO2 ± x and PuO2 - x systems and the description is extended to the ternary mixed oxide (U,Pu)O2 ± x by extrapolation. A simulation to validate the applicability of this model is considered.

Thermal fluids for CSP systems: Alkaline nitrates/nitrites thermodynamics modelling method

NASA Astrophysics Data System (ADS)

Tizzoni, A. C.; Sau, S.; Corsaro, N.; Giaconia, A.; D'Ottavi, C.; Licoccia, S.

2016-05-01

Molten salt (MS) mixtures are used for the transport (HTF-heat transfer fluid) and storage of heat (HSM-heat storage material) in Concentration Solar Plants (CSP). In general, alkaline and earth-alkaline nitrate/nitrite mixtures are employed. Along with its upper stability temperature, the melting point (liquidus point) of a MS mixture is one of the main parameters which defines its usefulness as a HTF and HSM medium. As a result, we would like to develop a predictive model which will allow us to forecast freezing points for different MS mixture compositions; thus circumventing the need to determine experimentally the phase diagram for each MS mixture. To model ternary/quaternary phase diagram, parameters for the binary subsystems are to be determined, which is the purpose of the concerned work. In a binary system with components A and B, in phase equilibrium conditions (e.g. liquid and solid) the chemical potentials (partial molar Gibbs energy) for each component in each phase are equal. For an ideal solution it is possible to calculate the mixing (A+B) Gibbs energy:ΔG = ΔH - TΔS = RT(xAlnxA + xBlnxB) In case of non-ideal solid/liquid mixtures, such as the nitrates/nitrites compositions investigated in this work, the actual value will differ from the ideal one by an amount defined as the "mixing" (mix) Gibbs free energy. If the resulting mixtures is assumed, as indicated in the previous literature, to follow a "regular solution" model, where all the non-ideality is considered included in the enthalpy of mixing value and considering, for instance, the A component:Δ G ≡0 =(Δ HA-T Δ SA)+(ΔH¯ m i x AL-T ΔS¯ m i x AL)-(ΔH¯ m i x AS-T ΔS¯ m i x AS)where the molar partial amounts can be calculated from the total value by the Gibbs Duhem equation: (ΔH¯m i x AL=ΔHm i x-XB Ld/Δ Hm i x d XB L ) L;(ΔH¯m i x AS=ΔHm i x-XB Sd/Δ Hm i x d XB S ) S and, in general, it is possible to express the mixing enthalpy for solids and liquids as a function of the mol fraction: Δ HL m i x=XA LXB L(a1+b1XA L+c1XA LXB L),Δ HS m i x=XA SXB S(a2+b2XA S+c2XA SXB S) From the latter expressions it can be possible to modelize the phase diagram of a binary mixtures by using the a,b and c couples of parameters. To calculate those coefficients a method commonly employed in literature is to measure the mixing enthalpies, or to use one reported of the enthalpy of mixing (for instance for the liquid state) and calculate the other one using the phase diagram points. A direct ΔHmix (in solid or liquid phase) measurement can be difficult to carry out using common DSC equipment generally present in research laboratories. In fact, such determinations can be, in principle, performed, but the obtained data will be affected by large experimental errors. On the other hand, it is possible to obtain values with great precision regarding the algebraic sum of mixing enthalpies and the phase diagram trend. For this reason, only the phase diagrams are proposed to be used to calculate a, b, c parameters, and, subsequently, the total (liquid-solid algebraic sum) enthalpy of mixing will be employed to verify their validity. At this aim, a C++ code was assessed and used. Three binary mixtures were considered by combining NaNO3, KNO3 and NaNO2.

Some aspects of multicomponent excess free energy models with subregular binaries

NASA Astrophysics Data System (ADS)

Cheng, Weiji; Ganguly, Jibamitra

1994-09-01

We have shown that two of the most commonly used multicomponent formulations of excess Gibbs free energy of mixing, those by WOHL (1946, 1953) and REDLICH and KISTER (1948), are formally equivalent if the binaries are constrained to have subregular properties, and also that other subregular multicomponent formulations developed in the mineralogical and geochemical literature are equivalent to, or higher order extensions of, these formulations. We have also presented a compact derivation of a multicomponent subregular solution leading to the same expression as derived by HELFFRICH and WOOD (1989). It is shown that Wohl's multicomponent formulation involves combination of binary excess free energies, which are calculated at compositions obtained by normal projection of the multicomponent composition onto the bounding binary joins, and is, thus, equivalent to the formulation developed by MUGGIANU et al. (1975). Finally, following the lead of HILLERT (1980), we have explored the limiting behavior of regular and subregular ternary solutions when a pair of components become energetically equivalent, and have, thus, derived an expression for calculating the ternary interaction parameter in a ternary solution from a knowledge of the properties of the bounding binaries, when one of these binaries is nearly ideal.

Asteroseismology of KIC 7107778: a binary comprising almost identical subgiants

NASA Astrophysics Data System (ADS)

Li, Yaguang; Bedding, Timothy R.; Li, Tanda; Bi, Shaolan; Murphy, Simon J.; Corsaro, Enrico; Chen, Li; Tian, Zhijia

2018-05-01

We analyse an asteroseismic binary system: KIC 7107778, a non-eclipsing, unresolved target, with solar-like oscillations in both components. We used Kepler short cadence time series spanning nearly 2 yr to obtain the power spectrum. Oscillation mode parameters were determined using Bayesian inference and a nested sampling Monte Carlo algorithm with the DIAMONDS package. The power profiles of the two components fully overlap, indicating their close similarity. We modelled the two stars with MESA and calculated oscillation frequencies with GYRE. Stellar fundamental parameters (mass, radius, and age) were estimated by grid modelling with atmospheric parameters and the oscillation frequencies of l = 0, 2 modes as constraints. Most l = 1 mixed modes were identified with models searched using a bisection method. Stellar parameters for the two sub-giant stars are MA = 1.42 ± 0.06 M⊙, MB = 1.39 ± 0.03 M⊙, RA = 2.93 ± 0.05 R⊙, RB = 2.76 ± 0.04 R⊙, tA = 3.32 ± 0.54 Gyr and tB = 3.51 ± 0.33 Gyr. The mass difference of the system is ˜1 per cent. The results confirm their simultaneous birth and evolution, as is expected from binary formation. KIC 7107778 comprises almost identical twins, and is the first asteroseismic sub-giant binary to be detected.

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.

MIXED MODEL AND ESTIMATING EQUATION APPROACHES FOR ZERO INFLATION IN CLUSTERED BINARY RESPONSE DATA WITH APPLICATION TO A DATING VIOLENCE STUDY1

PubMed Central

Fulton, Kara A.; Liu, Danping; Haynie, Denise L.; Albert, Paul S.

2016-01-01

The NEXT Generation Health study investigates the dating violence of adolescents using a survey questionnaire. Each student is asked to affirm or deny multiple instances of violence in his/her dating relationship. There is, however, evidence suggesting that students not in a relationship responded to the survey, resulting in excessive zeros in the responses. This paper proposes likelihood-based and estimating equation approaches to analyze the zero-inflated clustered binary response data. We adopt a mixed model method to account for the cluster effect, and the model parameters are estimated using a maximum-likelihood (ML) approach that requires a Gaussian–Hermite quadrature (GHQ) approximation for implementation. Since an incorrect assumption on the random effects distribution may bias the results, we construct generalized estimating equations (GEE) that do not require the correct specification of within-cluster correlation. In a series of simulation studies, we examine the performance of ML and GEE methods in terms of their bias, efficiency and robustness. We illustrate the importance of properly accounting for this zero inflation by reanalyzing the NEXT data where this issue has previously been ignored. PMID:26937263

On ternary species mixing and combustion in isotropic turbulence at high pressure

NASA Astrophysics Data System (ADS)

Lou, Hong; Miller, Richard S.

2004-05-01

Effects of Soret and Dufour cross-diffusion, whereby both concentration and thermal diffusion occur in the presence of mass fraction, temperature, and pressure gradients, are investigated in the context of both binary and ternary species mixing and combustion in isotropic turbulence at large pressure. The compressible flow formulation is based on a cubic real-gas state equation, and includes generalized forms for heat and mass diffusion derived from nonequilibrium thermodynamics and fluctuation theory. A previously derived formulation of the generalized binary species heat and mass fluxes is first extended to the case of ternary species, and appropriate treatment of the thermal and mass diffusion factors is described. Direct numerical simulations (DNS) are then conducted for both binary and ternary species mixing and combustion in stationary isotropic turbulence. Mean flow temperatures and pressures of =700 K and =45 atm are considered to ensure that all species mixtures remain in the supercritical state such that phase changes do not occur. DNS of ternary species systems undergoing both pure mixing and a simple chemical reaction of the form O2+N2→2NO are then conducted. It is shown that stationary scalar states previously observed for binary mixing persist for the ternary species problem as well; however, the production and magnitude of the scalar variance is found to be altered for the intermediate molecular weight species as compared to the binary species case. The intermediate molecular weight species produces a substantially smaller scalar variance than the remaining species for all flows considered. For combustion of nonstoichiometric mixtures, a binary species mixture, characterized by stationary scalar states, results at long times after the lean reactant is depleted. The form of this final scalar distribution is observed to be similar to that found in the binary flow situation. A series of lower resolution simulations for a variety of species is then used to show the dependence of the stationary scalar variance on the turbulence Reynolds number, turbulence Mach number, species molecular weight ratio, and relative proportion of two species present in the flow after completion of combustion.

A two-level approach to large mixed-integer programs with application to cogeneration in energy-efficient buildings

DOE PAGES

Lin, Fu; Leyffer, Sven; Munson, Todd

2016-04-12

We study a two-stage mixed-integer linear program (MILP) with more than 1 million binary variables in the second stage. We develop a two-level approach by constructing a semi-coarse model that coarsens with respect to variables and a coarse model that coarsens with respect to both variables and constraints. We coarsen binary variables by selecting a small number of prespecified on/off profiles. We aggregate constraints by partitioning them into groups and taking convex combination over each group. With an appropriate choice of coarsened profiles, the semi-coarse model is guaranteed to find a feasible solution of the original problem and hence providesmore » an upper bound on the optimal solution. We show that solving a sequence of coarse models converges to the same upper bound with proven finite steps. This is achieved by adding violated constraints to coarse models until all constraints in the semi-coarse model are satisfied. We demonstrate the effectiveness of our approach in cogeneration for buildings. Here, the coarsened models allow us to obtain good approximate solutions at a fraction of the time required by solving the original problem. Extensive numerical experiments show that the two-level approach scales to large problems that are beyond the capacity of state-of-the-art commercial MILP solvers.« less

A two-level approach to large mixed-integer programs with application to cogeneration in energy-efficient buildings

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

Lin, Fu; Leyffer, Sven; Munson, Todd

We study a two-stage mixed-integer linear program (MILP) with more than 1 million binary variables in the second stage. We develop a two-level approach by constructing a semi-coarse model that coarsens with respect to variables and a coarse model that coarsens with respect to both variables and constraints. We coarsen binary variables by selecting a small number of prespecified on/off profiles. We aggregate constraints by partitioning them into groups and taking convex combination over each group. With an appropriate choice of coarsened profiles, the semi-coarse model is guaranteed to find a feasible solution of the original problem and hence providesmore » an upper bound on the optimal solution. We show that solving a sequence of coarse models converges to the same upper bound with proven finite steps. This is achieved by adding violated constraints to coarse models until all constraints in the semi-coarse model are satisfied. We demonstrate the effectiveness of our approach in cogeneration for buildings. Here, the coarsened models allow us to obtain good approximate solutions at a fraction of the time required by solving the original problem. Extensive numerical experiments show that the two-level approach scales to large problems that are beyond the capacity of state-of-the-art commercial MILP solvers.« less

Mixed Micelle System Produced by Interaction Between Transglycosylated Stevia and an Ionic Surfactant Improves Dissolution Profile of Mefenamic Acid.

PubMed

Fujimori, Miki; Kadota, Kazunori; Tozuka, Yuichi

2017-04-01

Transglycosylated stevia (stevia-G) can effectively improve the dissolution and bioavailability of poorly water-soluble drugs. Furthermore, addition of an ionic surfactant to stevia-G solution has been shown to enhance the dissolution effect of stevia-G on flurbiprofen. Herein, 4 surfactants, namely sodium dodecyl sulfate, sodium N-dodecanoylsarcosinate, sodium monododecyl phosphate, and lauryltrimethylammonium chloride (LTAC) were screened to investigate their synergistic effect with stevia-G in enhancing the solubility of mefenamic acid (MFA). The ternary formulation containing LTAC produced the highest increase in solubility, whereas the binary MFA/LTAC formulation did not increase the solubility of MFA. Surface tension was evaluated to analyze the interaction between stevia-G and each ionic surfactant, wherein the Rubingh model was applied to predict mixed micelle formation between stevia-G and LTAC. Interaction parameters calculated by the Rubingh model reflected mixed micelle formation between stevia-G and LTAC relative to the self-interactions of the 2 individual surfactants. All interaction parameters in this system showed negative values, indicating a favorable interaction (e.g., hydrogen bond or electrostatic and dipole) between binary components in the mixed micelles. Spray-dried particles of ternary formulations (MFA/stevia-G/LTAC) were prepared to evaluate the dissolution profile and physicochemical properties. Dissolution profiling showed that the concentration of MFA released from spray-dried particles was significantly higher than untreated MFA. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Contrasting performance of donor-acceptor copolymer pairs in ternary blend solar cells and two-acceptor copolymers in binary blend solar cells.

PubMed

Khlyabich, Petr P; Rudenko, Andrey E; Burkhart, Beate; Thompson, Barry C

2015-02-04

Here two contrasting approaches to polymer-fullerene solar cells are compared. In the first approach, two distinct semi-random donor-acceptor copolymers are blended with phenyl-C61-butyric acid methyl ester (PC61BM) to form ternary blend solar cells. The two poly(3-hexylthiophene)-based polymers contain either the acceptor thienopyrroledione (TPD) or diketopyrrolopyrrole (DPP). In the second approach, semi-random donor-acceptor copolymers containing both TPD and DPP acceptors in the same polymer backbone, termed two-acceptor polymers, are blended with PC61BM to give binary blend solar cells. The two approaches result in bulk heterojunction solar cells that have the same molecular active-layer components but differ in the manner in which these molecular components are mixed, either by physical mixing (ternary blend) or chemical "mixing" in the two-acceptor (binary blend) case. Optical properties and photon-to-electron conversion efficiencies of the binary and ternary blends were found to have similar features and were described as a linear combination of the individual components. At the same time, significant differences were observed in the open-circuit voltage (Voc) behaviors of binary and ternary blend solar cells. While in case of two-acceptor polymers, the Voc was found to be in the range of 0.495-0.552 V, ternary blend solar cells showed behavior inherent to organic alloy formation, displaying an intermediate, composition-dependent and tunable Voc in the range from 0.582 to 0.684 V, significantly exceeding the values achieved in the two-acceptor containing binary blend solar cells. Despite the differences between the physical and chemical mixing approaches, both pathways provided solar cells with similar power conversion efficiencies, highlighting the advantages of both pathways toward highly efficient organic solar cells.

Ligand Exchange Governs the Crystal Structures in Binary Nanocrystal Superlattices.

PubMed

Wei, Jingjing; Schaeffer, Nicolas; Pileni, Marie-Paule

2015-11-25

The surface chemistry in colloidal nanocrystals on the final crystalline structure of binary superlattices produced by self-assembly of two sets of nanocrystals is hereby demonstrated. By mixing nanocrystals having two different sizes and the same coating agent, oleylamine (OAM), the binary nanocrystal superlattices that are produced, such as NaCl, AlB2, NaZn13, and MgZn2, are well in agreement with the crystalline structures predicted by the hard-sphere model, their formation being purely driven by entropic forces. By opposition, when large and small nanocrystals are coated with two different ligands [OAM and dodecanethiol (DDT), respectively] while keeping all other experimental conditions unchanged, the final binary structures markedly change and various structures with lower packing densities, such as Cu3Au, CaB6, and quasicrystals, are observed. This effect of the nanocrystals' coating agents could also be extended to other binary systems, such as Ag-Au and CoFe2O4-Ag supracrystalline binary lattices. In order to understand this effect, a mechanism based on ligand exchange process is proposed. Ligand exchange mechanism is believed to affect the thermodynamics in the formation of binary systems composed of two sets of nanocrystals with different sizes and bearing two different coating agents. Hence, the formation of binary superlattices with lower packing densities may be favored kinetically because the required energetic penalty is smaller than that of a denser structure.

Durability and Strength of Sustainable Self-Consolidating Concrete Containing Fly Ash

NASA Astrophysics Data System (ADS)

Mohamed, O.; Hawat, W. Al

2018-03-01

In this paper, the durability and strength of self-consolidating concrete (SCC) is assessed through development and testing of six binary mixes at fixed water-to-binder (w/b) ratio of 0.36. In each of the six SCC mixes, a different percentage of cement is replaced with fly ash. The development of compressive strength for each of the mixes is assessed by testing samples after 3, 7, and 28 days of curing. Durability of each of the six SCC mixes is assessed by measuring the charge passed in Rapid Chloride Permeability (RCP) test. Charge passed was measured in samples cured for 1, 3, 7, 14, 28, and 40 days of curing. All mixes out-performed the control mix in terms of resistance to chloride penetration. Binary mix in which 20% of cement is replaced with fly ash exhibited 28-day strength slightly surpassing the control mix.

Effect of driver's age and side of impact on crash severity along urban freeways: a mixed logit approach.

PubMed

Haleem, Kirolos; Gan, Albert

2013-09-01

This study identifies geometric, traffic, environmental, vehicle-related, and driver-related predictors of crash injury severity on urban freeways. The study takes advantage of the mixed logit model's ability to account for unobserved effects that are difficult to quantify and may affect the model estimation, such as the driver's reaction at the time of crash. Crashes of 5 years occurring on 89 urban freeway segments throughout the state of Florida in the United States were used. Examples of severity predictors explored include traffic volume, distance of the crash to the nearest ramp, and detailed driver's age, vehicle types, and sides of impact. To show how the parameter estimates could vary, a binary logit model was compared with the mixed logit model. It was found that the at-fault driver's age, traffic volume, distance of the crash to the nearest ramp, vehicle type, side of impact, and percentage of trucks significantly influence severity on urban freeways. Additionally, young at-fault drivers were associated with a significant severity risk increase relative to other age groups. It was also observed that some variables in the binary logit model yielded illogic estimates due to ignoring the random variation of the estimation. Since the at-fault driver's age and side of impact were significant random parameters in the mixed logit model, an in-depth investigation was performed. It was noticed that back, left, and right impacts had the highest risk among middle-aged drivers, followed by young drivers, very young drivers, and finally, old and very old drivers. To reduce side impacts due to lane changing, two primary strategies can be recommended. The first strategy is to conduct campaigns to convey the hazardous effect of changing lanes at higher speeds. The second is to devise in-vehicle side crash avoidance systems to alert drivers of a potential crash risk. The study provided a promising approach to screening the predictors before fitting the mixed logit model using the random forest technique. Furthermore, potential countermeasures were proposed to reduce the severity of impacts. Copyright © 2013 National Safety Council and Elsevier Ltd. All rights reserved.

Minimum number of clusters and comparison of analysis methods for cross sectional stepped wedge cluster randomised trials with binary outcomes: A simulation study.

PubMed

Barker, Daniel; D'Este, Catherine; Campbell, Michael J; McElduff, Patrick

2017-03-09

Stepped wedge cluster randomised trials frequently involve a relatively small number of clusters. The most common frameworks used to analyse data from these types of trials are generalised estimating equations and generalised linear mixed models. A topic of much research into these methods has been their application to cluster randomised trial data and, in particular, the number of clusters required to make reasonable inferences about the intervention effect. However, for stepped wedge trials, which have been claimed by many researchers to have a statistical power advantage over the parallel cluster randomised trial, the minimum number of clusters required has not been investigated. We conducted a simulation study where we considered the most commonly used methods suggested in the literature to analyse cross-sectional stepped wedge cluster randomised trial data. We compared the per cent bias, the type I error rate and power of these methods in a stepped wedge trial setting with a binary outcome, where there are few clusters available and when the appropriate adjustment for a time trend is made, which by design may be confounding the intervention effect. We found that the generalised linear mixed modelling approach is the most consistent when few clusters are available. We also found that none of the common analysis methods for stepped wedge trials were both unbiased and maintained a 5% type I error rate when there were only three clusters. Of the commonly used analysis approaches, we recommend the generalised linear mixed model for small stepped wedge trials with binary outcomes. We also suggest that in a stepped wedge design with three steps, at least two clusters be randomised at each step, to ensure that the intervention effect estimator maintains the nominal 5% significance level and is also reasonably unbiased.

Study of complexation process between 4'-nitrobenzo-15-crown-5 and yttrium(III) cation in binary mixed non-aqueous solvents using conductometric method

NASA Astrophysics Data System (ADS)

Habibi, N.; Rounaghi, G. H.; Mohajeri, M.

2012-12-01

The complexation reaction of macrocyclic ligand (4'-nitrobenzo-15C5) with Y3+ cation was studied in acetonitrile-methanol (AN-MeOH), acetonitrile-ethanol (AN-EtOH), acetonitrile-dimethylformamide (AN-DMF) and ethylacetate-methanol (EtOAc-MeOH) binary mixtures at different temperatures using conductometry method. The conductivity data show that in all solvent systems, the stoichiometry of the complex formed between 4'-nitrobenzo-15C5 and Y3+ cation is 1: 1 (ML). The stability order of (4'-nitrobenzo-15C5). Y3+ complex in pure non-aqueous solvents at 25°C was found to be: EtOAc > EtOH > AN ≈ DMF > MeOH, and in the case of most compositions of the binary mixed solvents at 25°C it was: AN≈MeOH ≈ AN-EtOH > AN-DMF > EtOAc-MeOH. But the results indicate that the sequence of the stability of the complex in the binary mixed solutions changes with temperature. A non-linear behavior was observed for changes of log K f of (4'-nitrobenzo-15C5 · Y3+) complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions and also the hetero-selective solvation of the species involved in the complexation reaction. The values of thermodynamic parameters (Δ H {c/ℴ} and Δ S {c/ℴ}) for formation of the complex were obtained from temperature dependent of the stability constant using the van't Hoff plots. The results represent that in most cases, the complex is both enthalpy and entropy stabilized and the values and also the sign of thermodynamic parameters are influenced by the nature and composition of the mixed solvents.

Temperature Dependence of Densities and Excess Molar Volumes of the Ternary Mixture (1-Butanol + Chloroform + Benzene) and its Binary Constituents (1-Butanol + Chloroform and 1-Butanol + Benzene)

NASA Astrophysics Data System (ADS)

Smiljanić, Jelena D.; Kijevčanin, Mirjana Lj.; Djordjević, Bojan D.; Grozdanić, Dušan K.; Šerbanović, Slobodan P.

2008-04-01

Densities ρ of the 1-butanol + chloroform + benzene ternary mixture and the 1-butanol + chloroform and 1-butanol + benzene binaries have been measured at six temperatures (288.15, 293.15, 298.15, 303.15, 308.15, and 313.15) K and atmospheric pressure, using an oscillating U-tube densimeter. From these densities, excess molar volumes ( V E) were calculated and fitted to the Redlich Kister equation for all binary mixtures and to the Nagata and Tamura equation for the ternary system. The Radojković et al. equation has been used to predict excess molar volumes of the ternary mixtures. Also, V E data of the binary systems were correlated by the van der Waals (vdW1) and Twu Coon Bluck Tilton (TCBT) mixing rules coupled with the Peng Robinson Stryjek Vera (PRSV) equation of state. The prediction and correlation of V E data for the ternary system were performed by the same models.

Massive stars in advanced evolutionary stages, and the progenitor of GW150914

NASA Astrophysics Data System (ADS)

Hamann, Wolf-Rainer; Oskinova, Lidia; Todt, Helge; Sander, Andreas; Hainich, Rainer; Shenar, Tomer; Ramachandran, Varsha

2017-11-01

The recent discovery of a gravitational wave from the merging of two black holes of about 30 solar masses each challenges our incomplete understanding of massive stars and their evolution. Critical ingredients comprise mass-loss, rotation, magnetic fields, internal mixing, and mass transfer in close binary systems. The imperfect knowledge of these factors implies large uncertainties for models of stellar populations and their feedback. In this contribution we summarize our empirical studies of Wolf-Rayet populations at different metallicities by means of modern non-LTE stellar atmosphere models, and confront these results with the predictions of stellar evolution models. At the metallicity of our Galaxy, stellar winds are probably too strong to leave remnant masses as high as ~30 M⊙, but given the still poor agreement between evolutionary tracks and observation even this conclusion is debatable. At the low metallicity of the Small Magellanic Cloud, all WN stars which are (at least now) single are consistent with evolving quasi-homogeneously. O and B-type stars, in contrast, seem to comply with standard evolutionary models without strong internal mixing. Close binaries which avoided early merging could evolve quasi-homogeneously and lead to close compact remnants of relatively high masses that merge within a Hubble time.

Mixing and demixing of binary mixtures of polar chiral active particles.

PubMed

Ai, Bao-Quan; Shao, Zhi-Gang; Zhong, Wei-Rong

2018-05-17

We study a binary mixture of polar chiral (counterclockwise or clockwise) active particles in a two-dimensional box with periodic boundary conditions. Besides the excluded volume interactions between particles, the particles are also subjected to the polar velocity alignment. From the extensive Brownian dynamics simulations, it is found that the particle configuration (mixing or demixing) is determined by the competition between the chirality difference and the polar velocity alignment. When the chirality difference competes with the polar velocity alignment, the clockwise particles aggregate in one cluster and the counterclockwise particles aggregate in the other cluster; thus, the particles are demixed and can be separated. However, when the chirality difference or the polar velocity alignment is dominant, the particles are mixed. Our findings could be used for the experimental pursuit of the separation of binary mixtures of chiral active particles.

Self-declared stock ownership and association with positive trial outcome in randomized controlled trials with binary outcomes published in general medical journals: a cross-sectional study.

PubMed

Falk Delgado, Alberto; Falk Delgado, Anna

2017-07-26

Describe the prevalence and types of conflicts of interest (COI) in published randomized controlled trials (RCTs) in general medical journals with a binary primary outcome and assess the association between conflicts of interest and favorable outcome. Parallel-group RCTs with a binary primary outcome published in three general medical journals during 2013-2015 were identified. COI type, funding source, and outcome were extracted. Binomial logistic regression model was performed to assess association between COI and funding source with outcome. A total of 509 consecutive parallel-group RCTs were included in the study. COI was reported in 74% in mixed funded RCTs and in 99% in for-profit funded RCTs. Stock ownership was reported in none of the non-profit RCTs, in 7% of mixed funded RCTs, and in 50% of for-profit funded RCTs. Mixed-funded RCTs had employees from the funding company in 11% and for-profit RCTs in 76%. Multivariable logistic regression revealed that stock ownership in the funding company among any of the authors was associated with a favorable outcome (odds ratio = 3.53; 95% confidence interval = 1.59-7.86; p < 0.01). COI in for-profit funded RCTs is extensive, because the factors related to COI are not fully independent, a multivariable analysis should be cautiously interpreted. However, after multivariable adjustment only stock ownership from the funding company among authors is associated with a favorable outcome.

In-situ observation of switchable nanoscale topography for y-shaped binary brushes in fluids.

PubMed

Lin, Yen-Hsi; Teng, Jing; Zubarev, Eugene R; Shulha, Hennady; Tsukruk, Vladimir V

2005-03-01

Direct, in-fluid observation of the surface morphology and nanomechanical properties of the mixed brushes composed of Y-shaped binary molecules PS-PAA revealed nanoscale network-like surface topography formed by coexisting stretched soluble PAA arms and collapsed insoluble PS chains in water. Placement of Y-shaped brushes in different fluids resulted in dramatic reorganization ranging from soft repellent layer covered by swollen PS arms in toluene to an adhesive, mixed layer composed of coexisting swollen PAA and collapsed PS arms in water. These binary layers with the overall nanoscale thickness can serve as adaptive nanocoatings with stimuli-responsive properties.

Preferential solvation and solvation shell composition of free base and protonated 5, 10, 15, 20-tetrakis(4-sulfonatophenyl)porphyrin in aqueous organic mixed solvents

NASA Astrophysics Data System (ADS)

Farajtabar, Ali; Jaberi, Fatemeh; Gharib, Farrokh

2011-12-01

The solvatochromic properties of the free base and the protonated 5, 10, 15, 20-tetrakis(4-sulfonatophenyl)porphyrin (TPPS) were studied in pure water, methanol, ethanol (protic solvents), dimethylsulfoxide, DMSO, (non-protic solvent), and their corresponding aqueous-organic binary mixed solvents. The correlation of the empirical solvent polarity scale ( ET) values of TPPS with composition of the solvents was analyzed by the solvent exchange model of Bosch and Roses to clarify the preferential solvation of the probe dyes in the binary mixed solvents. The solvation shell composition and the synergistic effects in preferential solvation of the solute dyes were investigated in terms of both solvent-solvent and solute-solvent interactions and also, the local mole fraction of each solvent composition was calculated in cybotactic region of the probe. The effective mole fraction variation may provide significant physico-chemical insights in the microscopic and molecular level of interactions between TPPS species and the solvent components and therefore, can be used to interpret the solvent effect on kinetics and thermodynamics of TPPS. The obtained results from the preferential solvation and solvent-solvent interactions have been successfully applied to explain the variation of equilibrium behavior of protonation of TPPS occurring in aqueous organic mixed solvents of methanol, ethanol and DMSO.

Using a tracer technique to identify the extent of non-ideal flows in the continuous mixing of non-Newtonian fluids

NASA Astrophysics Data System (ADS)

Patel, D.; Ein-Mozaffari, F.; Mehrvar, M.

2013-05-01

The identification of non-ideal flows in a continuous-flow mixing of non-Newtonian fluids is a challenging task for various chemical industries: plastic manufacturing, water and wastewater treatment, and pulp and paper manufacturing. Non-ideal flows such as channelling, recirculation, and dead zones significantly affect the performance of continuous-flow mixing systems. Therefore, the main objective of this paper was to develop an identification protocol to measure non-ideal flows in the continuous-flow mixing system. The extent of non-ideal flows was quantified using a dynamic model that incorporated channelling, recirculation, and dead volume in the mixing vessel. To estimate the dynamic model parameters, the system was excited using a frequency-modulated random binary input by injecting the saline solution (as a tracer) into the fresh feed stream prior to being pumped into the mixing vessel. The injection of the tracer was controlled by a computer-controlled on-off solenoid valve. Using the trace technique, the extent of channelling and the effective mixed volume were successfully determined and used as mixing quality criteria. Such identification procedures can be applied at various areas of chemical engineering in order to improve the mixing quality.

Particulate reduction in ternary-compound film growth via pulsed laser deposition from segmented binary-targets

NASA Astrophysics Data System (ADS)

Grant-Jacob, James A.; Prentice, Jake J.; Beecher, Stephen J.; Shepherd, David P.; Eason, Robert W.; Mackenzie, Jacob I.

2018-03-01

We present the hetero-epitaxial growth of high-quality crystalline Y3Ga5O12 onto a 〈100〉-oriented YAG substrate via pulsed laser deposition, using mixed ternary-compound and segmented binary-compound targets. We observe that a Y3Ga5O12 film fabricated using a segmented target (Y2O3/Ga2O3) contained ∼100 times fewer scattering points than a film grown using a mixed Y3Ga5O12 target. We show that following ablation, the surface of the mixed compound (ternary) target had laser-induced cone structures, whereas the surface of single compound (binary) targets did not. It is concluded that the different ablation dynamics of the oxide constituents in the respective targets plays a significant role in the origin of the scattering points in the resultant films.

A parallel metaheuristic for large mixed-integer dynamic optimization problems, with applications in computational biology

PubMed Central

Henriques, David; González, Patricia; Doallo, Ramón; Saez-Rodriguez, Julio; Banga, Julio R.

2017-01-01

Background We consider a general class of global optimization problems dealing with nonlinear dynamic models. Although this class is relevant to many areas of science and engineering, here we are interested in applying this framework to the reverse engineering problem in computational systems biology, which yields very large mixed-integer dynamic optimization (MIDO) problems. In particular, we consider the framework of logic-based ordinary differential equations (ODEs). Methods We present saCeSS2, a parallel method for the solution of this class of problems. This method is based on an parallel cooperative scatter search metaheuristic, with new mechanisms of self-adaptation and specific extensions to handle large mixed-integer problems. We have paid special attention to the avoidance of convergence stagnation using adaptive cooperation strategies tailored to this class of problems. Results We illustrate its performance with a set of three very challenging case studies from the domain of dynamic modelling of cell signaling. The simpler case study considers a synthetic signaling pathway and has 84 continuous and 34 binary decision variables. A second case study considers the dynamic modeling of signaling in liver cancer using high-throughput data, and has 135 continuous and 109 binaries decision variables. The third case study is an extremely difficult problem related with breast cancer, involving 690 continuous and 138 binary decision variables. We report computational results obtained in different infrastructures, including a local cluster, a large supercomputer and a public cloud platform. Interestingly, the results show how the cooperation of individual parallel searches modifies the systemic properties of the sequential algorithm, achieving superlinear speedups compared to an individual search (e.g. speedups of 15 with 10 cores), and significantly improving (above a 60%) the performance with respect to a non-cooperative parallel scheme. The scalability of the method is also good (tests were performed using up to 300 cores). Conclusions These results demonstrate that saCeSS2 can be used to successfully reverse engineer large dynamic models of complex biological pathways. Further, these results open up new possibilities for other MIDO-based large-scale applications in the life sciences such as metabolic engineering, synthetic biology, drug scheduling. PMID:28813442

A parallel metaheuristic for large mixed-integer dynamic optimization problems, with applications in computational biology.

PubMed

Penas, David R; Henriques, David; González, Patricia; Doallo, Ramón; Saez-Rodriguez, Julio; Banga, Julio R

2017-01-01

We consider a general class of global optimization problems dealing with nonlinear dynamic models. Although this class is relevant to many areas of science and engineering, here we are interested in applying this framework to the reverse engineering problem in computational systems biology, which yields very large mixed-integer dynamic optimization (MIDO) problems. In particular, we consider the framework of logic-based ordinary differential equations (ODEs). We present saCeSS2, a parallel method for the solution of this class of problems. This method is based on an parallel cooperative scatter search metaheuristic, with new mechanisms of self-adaptation and specific extensions to handle large mixed-integer problems. We have paid special attention to the avoidance of convergence stagnation using adaptive cooperation strategies tailored to this class of problems. We illustrate its performance with a set of three very challenging case studies from the domain of dynamic modelling of cell signaling. The simpler case study considers a synthetic signaling pathway and has 84 continuous and 34 binary decision variables. A second case study considers the dynamic modeling of signaling in liver cancer using high-throughput data, and has 135 continuous and 109 binaries decision variables. The third case study is an extremely difficult problem related with breast cancer, involving 690 continuous and 138 binary decision variables. We report computational results obtained in different infrastructures, including a local cluster, a large supercomputer and a public cloud platform. Interestingly, the results show how the cooperation of individual parallel searches modifies the systemic properties of the sequential algorithm, achieving superlinear speedups compared to an individual search (e.g. speedups of 15 with 10 cores), and significantly improving (above a 60%) the performance with respect to a non-cooperative parallel scheme. The scalability of the method is also good (tests were performed using up to 300 cores). These results demonstrate that saCeSS2 can be used to successfully reverse engineer large dynamic models of complex biological pathways. Further, these results open up new possibilities for other MIDO-based large-scale applications in the life sciences such as metabolic engineering, synthetic biology, drug scheduling.

Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks.

PubMed

Ajmani, Subhash; Rogers, Stephen C; Barley, Mark H; Burgess, Andrew N; Livingstone, David J

2010-09-17

In our earlier work, we have demonstrated that it is possible to characterize binary mixtures using single component descriptors by applying various mixing rules. We also showed that these methods were successful in building predictive QSPR models to study various mixture properties of interest. Here in, we developed a QSPR model of an excess thermodynamic property of binary mixtures i.e. excess molar volume (V(E) ). In the present study, we use a set of mixture descriptors which we earlier designed to specifically account for intermolecular interactions between the components of a mixture and applied successfully to the prediction of infinite-dilution activity coefficients using neural networks (part 1 of this series). We obtain a significant QSPR model for the prediction of excess molar volume (V(E) ) using consensus neural networks and five mixture descriptors. We find that hydrogen bond and thermodynamic descriptors are the most important in determining excess molar volume (V(E) ), which is in line with the theory of intermolecular forces governing excess mixture properties. The results also suggest that the mixture descriptors utilized herein may be sufficient to model a wide variety of properties of binary and possibly even more complex mixtures. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Estimation of social value of statistical life using willingness-to-pay method in Nanjing, China.

PubMed

Yang, Zhao; Liu, Pan; Xu, Xin

2016-10-01

Rational decision making regarding the safety related investment programs greatly depends on the economic valuation of traffic crashes. The primary objective of this study was to estimate the social value of statistical life in the city of Nanjing in China. A stated preference survey was conducted to investigate travelers' willingness to pay for traffic risk reduction. Face-to-face interviews were conducted at stations, shopping centers, schools, and parks in different districts in the urban area of Nanjing. The respondents were categorized into two groups, including motorists and non-motorists. Both the binary logit model and mixed logit model were developed for the two groups of people. The results revealed that the mixed logit model is superior to the fixed coefficient binary logit model. The factors that significantly affect people's willingness to pay for risk reduction include income, education, gender, age, drive age (for motorists), occupation, whether the charged fees were used to improve private vehicle equipment (for motorists), reduction in fatality rate, and change in travel cost. The Monte Carlo simulation method was used to generate the distribution of value of statistical life (VSL). Based on the mixed logit model, the VSL had a mean value of 3,729,493 RMB ($586,610) with a standard deviation of 2,181,592 RMB ($343,142) for motorists; and a mean of 3,281,283 RMB ($505,318) with a standard deviation of 2,376,975 RMB ($366,054) for non-motorists. Using the tax system to illustrate the contribution of different income groups to social funds, the social value of statistical life was estimated. The average social value of statistical life was found to be 7,184,406 RMB ($1,130,032). Copyright © 2016 Elsevier Ltd. All rights reserved.

First principles study of surface stability and segregation of PdRuRh ternary metal alloy system

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Nakanishi, Hiroshi; Kasai, Hideaki

2018-05-01

The recognized importance on the studies of alloyed materials is due to the high possibility of forming designer materials that caters to different applications. In any reaction and application, the stability and configuration of the alloy combination are important. In this study, we analyzed the surface stability and segregation of ternary metal alloy system PdRuRh through first principles calculation using density functional theory (DFT). We considered the possibility of forming phases as observed in the binary combinations of elements, i.e., completely miscible, and separating phases. With that, the model we analyzed for the ternary metal alloy slabs considers forming complete atomic miscibility, segregation of each component, and segregation of one component with mixing of the two other. Our results show that for the ternary combination of Pd, Rh and Ru, the Pd atoms have high tendency to segregate at the surface, while due to the high tendency of Ru and Rh to mix, core formation of a mixed RuRh is possible. Also, we determined that the trend of stability in the binary alloy system is a good determinant of stability in the ternary alloy system.

Barium Stars and Thermohaline Mixing

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

Husti, Laura

2008-01-24

Barium stars are formed in binary systems through mass transfer from the carbon and s-element rich primary in the AGB phase, to the secondary star which is in a less evolved evolutionary stage. The mixing of the accreted material from the AGB donor with the envelope of the secondary results in a dilution of the s-element abundances. Dilution in red giants is explained by the occurence of the first dredge up, while in case of dwarfs thermohaline mixing would determine it. A comparison between the theoretical predictions of the AGB stellar models and the spectroscopical observations of a large samplemore » of barium stars has been made. Dilution due to thermohaline mixing was taken into account when searching for best fits of the observational data. The importance of thermohaline mixing in barium dwarfs is discussed.« less

Phase relations in the system NaCl-KCl-H2O: V. Thermodynamic-PTX analysis of solid-liquid equilibria at high temperatures and pressures

USGS Publications Warehouse

Sterner, S.M.; Chou, I.-Ming; Downs, R.T.; Pitzer, Kenneth S.

1992-01-01

The Gibbs energies of mixing for NaCl-KCl binary solids and liquids and solid-saturated NaCl-KCl-H2O ternary liquids were modeled using asymmetric Margules treatments. The coefficients of the expressions were calibrated using an extensive array of binary solvus and solidus data, and both binary and ternary liquidus data. Over the PTX range considered, the system exhibits complete liquid miscibility among all three components and extensive solid solution along the anhydrous binary. Solid-liquid and solid-solid phase equilibria were calculated by using the resulting equations and invoking the equality of chemical potentials of NaCl and KCl between appropriate phases at equilibrium. The equations reproduce the ternary liquidus and predict activity coefficients for NaCl and KCl components in the aqueous liquid under solid-saturation conditions between 673 and 1200 K from vapor saturation up to 5 kbar. In the NaCl-KCl anhydrous binary system, the equations describe phase equilibria and predict activity coefficients of the salt components for all stable compositions of solid and liquid phases between room temperature and 1200 K and from 1 bar to 5 kbar. ?? 1992.

Enthalpies of mixing of liquid systems for lead free soldering: Al-Cu-Sn system.

PubMed

Flandorfer, Hans; Rechchach, Meryem; Elmahfoudi, A; Bencze, László; Popovič, Arkadij; Ipser, Herbert

2011-11-01

The present work refers to high-temperature drop calorimetric measurements on liquid Al-Cu, Al-Sn, and Al-Cu-Sn alloys. The binary systems have been investigated at 973 K, up to 40 at.% Cu in case of Al-Cu, and over the entire concentrational range in case of Al-Sn. Measurements in the ternary Al-Cu-Sn system were performed along the following cross-sections: x(Al)/x(Cu) = 1:1, x(Al)/x(Sn) = 1:1, x(Cu)/x(Sn) = 7:3, x(Cu)/x(Sn) = 1:1, and x(Cu)/x(Sn) = 3:7 at 1273 K. Experimental data were used to find ternary interaction parameters by applying the Redlich-Kister-Muggianu model for substitutional solutions, and a full set of parameters describing the concentration dependence of the enthalpy of mixing was derived. From these, the isoenthalpy curves were constructed for 1273 K. The ternary system shows an exothermic enthalpy minimum of approx. -18,000 J/mol in the Al-Cu binary and a maximum of approx. 4000 J/mol in the Al-Sn binary system. The Al-Cu-Sn system is characterized by considerable repulsive ternary interactions as shown by the positive ternary interaction parameters.

Composition measurements of binary mixture droplets by rainbow refractometry.

PubMed

Wilms, J; Weigand, B

2007-04-10

So far, refractive index measurements by rainbow refractometry have been used to determine the temperature of single droplets and ensembles of droplets. Rainbow refractometry is, for the first time, to the best of our knowledge, applied to measure composition histories of evaporating, binary mixture droplets. An evaluation method is presented that makes use of Airy theory and the simultaneous size measurement by Mie scattering imaging. The method further includes an empirical correction function for a certain diameter and refractive index range. The measurement uncertainty was investigated by numerical simulations with Lorenz-Mie theory. For the experiments, an optical levitation setup was used allowing for long measurement periods. Temperature measurements of single-component droplets at different temperature levels are shown to demonstrate the accuracy of rainbow refractometry. Measurements of size and composition histories of binary mixture droplets are presented for two different mixtures. Experimental results show good agreement with numerical results using a rapid-mixing model.

Shell-binary nanoparticle materials with variable electrical and electro-mechanical properties.

PubMed

Zhang, P; Bousack, H; Dai, Y; Offenhäusser, A; Mayer, D

2018-01-18

Nanoparticle (NP) materials with the capability to adjust their electrical and electro-mechanical properties facilitate applications in strain sensing technology. Traditional NP materials based on single component NPs lack a systematic and effective means of tuning their electrical and electro-mechanical properties. Here, we report on a new type of shell-binary NP material fabricated by self-assembly with either homogeneous or heterogeneous arrangements of NPs. Variable electrical and electro-mechanical properties were obtained for both materials. We show that the electrical and electro-mechanical properties of these shell-binary NP materials are highly tunable and strongly affected by the NP species as well as their corresponding volume fraction ratio. The conductivity and the gauge factor of these shell-binary NP materials can be altered by about five and two orders of magnitude, respectively. These shell-binary NP materials with different arrangements of NPs also demonstrate different volume fraction dependent electro-mechanical properties. The shell-binary NP materials with a heterogeneous arrangement of NPs exhibit a peaking of the sensitivity at medium mixing ratios, which arises from the aggregation induced local strain enhancement. Studies on the electron transport regimes and micro-morphologies of these shell-binary NP materials revealed the different mechanisms accounting for the variable electrical and electro-mechanical properties. A model based on effective medium theory is used to describe the electrical and electro-mechanical properties of such shell-binary nanomaterials and shows an excellent match with experiment data. These shell-binary NP materials possess great potential applications in high-performance strain sensing technology due to their variable electrical and electro-mechanical properties.

Breaking Binaries? Biomedicine and Serostatus Borderlands among Couples with Mixed HIV Status.

PubMed

Persson, Asha; Newman, Christy E; Ellard, Jeanne

2017-01-01

With recent breakthroughs in HIV treatment and prevention, the meanings of HIV-positivity and HIV-negativity are changing at biomedical and community levels. We explore how binary constructions of HIV serostatus identities are giving way to something more complex that brings both welcome possibilities and potential concerns. We draw on research with couples with mixed HIV status to argue that, in the context of lived experiences, serostatus identities have always been more ambiguous than allowed for in HIV discourse. However, their supposed dichotomous quality seems even more dubious now in view of contemporary biomedical technologies. Invoking the anthropological concept of "borderlands," we consider how biomedicine is generating more diverse serostatus identities, widening the options for how to live with HIV, and eroding the stigmatizing serostatus binary that has haunted the epidemic. But we also ask whether this emerging borderland, and its "normalizing" tendencies, is concomitantly giving rise to new and troubling binaries.

Computational studies of the glass-forming ability of model bulk metallic glasses

NASA Astrophysics Data System (ADS)

Zhang, Kai; Wang, Minglei; Papanikolaou, Stefanos; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

2013-09-01

Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate Rc below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing Rc, and thus good glass-formers possess small values of Rc. We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change Rc significantly. These results are tempered by the fact that the slowest cooling rates achieved in our simulations correspond to ˜1011 K/s, which is several orders of magnitude higher than Rc for typical BMGs. Despite this, our studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

Calculation of the surface tension of liquid Ga-based alloys

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2018-05-01

As known, Eyring and his collaborators have applied the structure theory to the properties of binary liquid mixtures. In this work, the Eyring model has been extended to calculate the surface tension of liquid Ga-Bi, Ga-Sn and Ga-In binary alloys. It was found that the addition of Sn, In and Bi into Ga leads to significant decrease in the surface tension of the three Ga-based alloy systems, especially for that of Ga-Bi alloys. The calculated surface tension values of these alloys exhibit negative deviation from the corresponding ideal mixing isotherms. Moreover, a comparison between the calculated results and corresponding literature data indicates a good agreement.

Gravitational Waves from Stellar Black Hole Binaries and the Impact on Nearby Sun-like Stars

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

Lopes, Ilídio; Silk, Joseph, E-mail: ilidio.lopes@tecnico.ulisboa.pt, E-mail: silk@astro.ox.ac.uk

We investigate the impact of resonant gravitational waves on quadrupole acoustic modes of Sun-like stars located nearby stellar black hole binary systems (such as GW150914 and GW151226). We find that the stimulation of the low-overtone modes by gravitational radiation can lead to sizeable photometric amplitude variations, much larger than the predictions for amplitudes driven by turbulent convection, which in turn are consistent with the photometric amplitudes observed in most Sun-like stars. For accurate stellar evolution models, using up-to-date stellar physics, we predict photometric amplitude variations of 1–10{sup 3} ppm for a solar mass star located at a distance between 1more » au and 10 au from the black hole binary and belonging to the same multi-star system. The observation of such a phenomenon will be within the reach of the Plato mission because the telescope will observe several portions of the Milky Way, many of which are regions of high stellar density with a substantial mixed population of Sun-like stars and black hole binaries.« less

Thermodynamics versus Kinetics Dichotomy in the Linear Self-Assembly of Mixed Nanoblocks.

PubMed

Ruiz, L; Keten, S

2014-06-05

We report classical and replica exchange molecular dynamics simulations that establish the mechanisms underpinning the growth kinetics of a binary mix of nanorings that form striped nanotubes via self-assembly. A step-growth coalescence model captures the growth process of the nanotubes, which suggests that high aspect ratio nanostructures can grow by obeying the universal laws of self-similar coarsening, contrary to systems that grow through nucleation and elongation. Notably, striped patterns do not depend on specific growth mechanisms, but are governed by tempering conditions that control the likelihood of depropagation and fragmentation.

Absolute parameters for AI Phoenicis using WASP photometry

NASA Astrophysics Data System (ADS)

Kirkby-Kent, J. A.; Maxted, P. F. L.; Serenelli, A. M.; Turner, O. D.; Evans, D. F.; Anderson, D. R.; Hellier, C.; West, R. G.

2016-06-01

Context. AI Phe is a double-lined, detached eclipsing binary, in which a K-type sub-giant star totally eclipses its main-sequence companion every 24.6 days. This configuration makes AI Phe ideal for testing stellar evolutionary models. Difficulties in obtaining a complete lightcurve mean the precision of existing radii measurements could be improved. Aims: Our aim is to improve the precision of the radius measurements for the stars in AI Phe using high-precision photometry from the Wide Angle Search for Planets (WASP), and use these improved radius measurements together with estimates of the masses, temperatures and composition of the stars to place constraints on the mixing length, helium abundance and age of the system. Methods: A best-fit ebop model is used to obtain lightcurve parameters, with their standard errors calculated using a prayer-bead algorithm. These were combined with previously published spectroscopic orbit results, to obtain masses and radii. A Bayesian method is used to estimate the age of the system for model grids with different mixing lengths and helium abundances. Results: The radii are found to be R1 = 1.835 ± 0.014 R⊙, R2 = 2.912 ± 0.014 R⊙ and the masses M1 = 1.1973 ± 0.0037 M⊙, M2 = 1.2473 ± 0.0039 M⊙. From the best-fit stellar models we infer a mixing length of 1.78, a helium abundance of YAI = 0.26 +0.02-0.01 and an age of 4.39 ± 0.32 Gyr. Times of primary minimum show the period of AI Phe is not constant. Currently, there are insufficient data to determine the cause of this variation. Conclusions: Improved precision in the masses and radii have improved the age estimate, and allowed the mixing length and helium abundance to be constrained. The eccentricity is now the largest source of uncertainty in calculating the masses. Further work is needed to characterise the orbit of AI Phe. Obtaining more binaries with parameters measured to a similar level of precision would allow us to test for relationships between helium abundance and mixing length.

A thermodynamic study of complexation process between N, N'-dipyridoxylidene(1,4-butanediamine) and Cd2+ in some binary mixed solvents using conductometry

NASA Astrophysics Data System (ADS)

Ebrahimpoor, Sonia; Khoshnood, Razieh Sanavi; Beyramabadi, S. Ali

2016-12-01

Complexation of the Cd2+ ion with N, N'-dipyridoxylidene(1,4-butanediamine) Schiff base was studied in pure solvents including acetonitrile (AN), ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), dimethylformamide (DMF), water (H2O), and various binary solvent mixtures of acetonitrile-ethanol (AN-EtOH), acetonitrile-methanol (AN-MeOH), acetonitrile-tetrahydrofuran (AN-THF), acetonitrile-dimethylformamide (AN-DMF), and acetonitrile-water (AN-H2O) systems at different temperatures using the conductometric method. The conductance data show that the stoichiometry of complex is 1: 1 [ML] in all solvent systems. A non-linear behavior was observed for changes of log K f of [Cd( N, N'-dipyridoxylidene(1,4-butanediamine)] complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions. The results show that the thermodynamics of complexation reaction is affected by the nature and composition of the mixed solvents.

Ethane and Xenon mixing: density functional theory (DFT) simulations and experiments on Sandia's Z machine

NASA Astrophysics Data System (ADS)

Magyar, Rudolph; Root, Seth; Mattsson, Thomas; Cochrane, Kyle

2012-02-01

The combination of ethane and xenon is one of the simplest binary mixtures in which bond breaking is expected to play a role under shock conditions. At cryogenic conditions, xenon is often understood to mix with alkanes such as Ethane as if it were also an alkane, but this model is expected to break down at higher temperatures and pressures. To investigate the breakdown, we have performed density functional theory (DFT) calculations on several xenon/ethane mixtures. Additionally, we have performed shock compression experiments on Xenon-Ethane using the Sandia Z - accelerator. The DFT and experimental results are compared to hydrodynamic simulations using different mixing models in the equation of state. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of the Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Thermochemical parameters of minerals from oxygen-buffered hydrothermal equilibrium data: Method, application to annite and almandine

USGS Publications Warehouse

Zen, E.-A.

1973-01-01

Reversed univariant hydrothermal phase-equilibrium reactions, in which a redox reaction occurs and is controlled by oxygen buffers, can be used to extract thermochemical data on minerals. The dominant gaseous species present, even for relatively oxidizing buffers such as the QFM buffer, are H2O and H2; the main problem is to calculate the chemical potentials of these components in a binary mixture. The mixing of these two species in the gas phase was assumed by Eugster and Wones (1962) to be ideal; this assumption allows calculation of the chemical potentials of the two components in a binary gas mixture, using data in the literature. A simple-mixture model of nonideal mixing, such as that proposed by Shaw (1967), can also be combined with the equations of state for oxygen buffers to permit derivation of the chemical potentials of the two components. The two mixing models yield closely comparable results for the more oxidizing buffers such as the QFM buffer. For reducing buffers such as IQF, the nonideal-mixing correction can be significant and the Shaw model is better. The procedure of calculation of mineralogical thermochemical data, in reactions where hydrogen and H2O simultaneously appear, is applied to the experimental data on annite, given by Wones et al. (1971), and on almandine, given by Hsu (1968). For annite the results are: Standard entropy of formation from the elements, Sf0 (298, 1)=-283.35??2.2 gb/gf, S0 (298, 1) =+92.5 gb/gf. Gf0 (298, 1)=-1148.2??6 kcal, and Hf0 (298, 1)=-1232.7??7 kcal. For almandine, the calculation takes into account the mutual solution of FeAl2O4 (Hc) in magnetite and of Fe3O4 (Mt) in hercynite and the temperature dependence of this solid solution, as given by Turnock and Eugster (1962); the calculations assume a regular-solution model for this binary spinel system. The standard entropy of formation of almandine, Sf,A0 (298, 1) is -272.33??3 gb/gf. The third law entropy, S0 (298, 1) is +68.3??3 gb/gf, a value much less than the oxide-sum estimate but the deviation is nearly the same as that of grossularite, referring to a comparable set of oxide standard states. The Gibbs free energy Gf,A0 (298, 1) is -1192.36??4 kcal, and the enthalpy Hf,A0 (298, 1) is -1273.56??5 kcal. ?? 1973 Springer-Verlag.

Assessment of combined antiandrogenic effects of binary parabens mixtures in a yeast-based reporter assay.

PubMed

Ma, Dehua; Chen, Lujun; Zhu, Xiaobiao; Li, Feifei; Liu, Cong; Liu, Rui

2014-05-01

To date, toxicological studies of endocrine disrupting chemicals (EDCs) have typically focused on single chemical exposures and associated effects. However, exposure to EDCs mixtures in the environment is common. Antiandrogens represent a group of EDCs, which draw increasing attention due to their resultant demasculinization and sexual disruption of aquatic organisms. Although there are a number of in vivo and in vitro studies investigating the combined effects of antiandrogen mixtures, these studies are mainly on selected model compounds such as flutamide, procymidone, and vinclozolin. The aim of the present study is to investigate the combined antiandrogenic effects of parabens, which are widely used antiandrogens in industrial and domestic commodities. A yeast-based human androgen receptor (hAR) assay (YAS) was applied to assess the antiandrogenic activities of n-propylparaben (nPrP), iso-propylparaben (iPrP), methylparaben (MeP), and 4-n-pentylphenol (PeP), as well as the binary mixtures of nPrP with each of the other three antiandrogens. All of the four compounds could exhibit antiandrogenic activity via the hAR. A linear interaction model was applied to quantitatively analyze the interaction between nPrP and each of the other three antiandrogens. The isoboles method was modified to show the variation of combined effects as the concentrations of mixed antiandrogens were changed. Graphs were constructed to show isoeffective curves of three binary mixtures based on the fitted linear interaction model and to evaluate the interaction of the mixed antiandrogens (synergism or antagonism). The combined effect of equimolar combinations of the three mixtures was also considered with the nonlinear isoboles method. The main effect parameters and interaction effect parameters in the linear interaction models of the three mixtures were different from zero. The results showed that any two antiandrogens in their binary mixtures tended to exert equal antiandrogenic activity in the linear concentration ranges. The antiandrogenicity of the binary mixture and the concentration of nPrP were fitted to a sigmoidal model if the concentrations of the other antiandrogens (iPrP, MeP, and PeP) in the mixture were lower than the AR saturation concentrations. Some concave isoboles above the additivity line appeared in all the three mixtures. There were some synergistic effects of the binary mixture of nPrP and MeP at low concentrations in the linear concentration ranges. Interesting, when the antiandrogens concentrations approached the saturation, the interaction between chemicals were antagonistic for all the three mixtures tested. When the toxicity of the three mixtures was assessed using nonlinear isoboles, only antagonism was observed for equimolar combinations of nPrP and iPrP as the concentrations were increased from the no-observed-effect-concentration (NOEC) to effective concentration of 80%. In addition, the interactions were changed from synergistic to antagonistic as effective concentrations were increased in the equimolar combinations of nPrP and MeP, as well as nPrP and PeP. The combined effects of three binary antiandrogens mixtures in the linear ranges were successfully evaluated by curve fitting and isoboles. The combined effects of specific binary mixtures varied depending on the concentrations of the chemicals in the mixtures. At low concentrations in the linear concentration ranges, there was synergistic interaction existing in the binary mixture of nPrP and MeP. The interaction tended to be antagonistic as the antiandrogens approached saturation concentrations in mixtures of nPrP with each of the other three antiandrogens. The synergistic interaction was also found in the equimolar combinations of nPrP and MeP, as well as nPrP and PeP, at low concentrations with another method of nonlinear isoboles. The mixture activities of binary antiandrogens had a tendency towards antagonism at high concentrations and synergism at low concentrations.

Equilibrium isotherm and kinetic studies for the simultaneous removal of phenol and cyanide by use of S. odorifera (MTCC 5700) immobilized on coconut shell activated carbon

NASA Astrophysics Data System (ADS)

Singh, Neetu; Balomajumder, Chandrajit

2017-10-01

In this study, simultaneous removal of phenol and cyanide by a microorganism S. odorifera (MTCC 5700) immobilized onto coconut shell activated carbon surface (CSAC) was studied in batch reactor from mono and binary component aqueous solution. Activated carbon was derived from coconut shell by chemical activation method. Ferric chloride (Fecl3), used as surface modification agents was applied to biomass. Optimum biosorption conditions were obtained as a function of biosorbent dosage, pH, temperature, contact time and initial phenol and cyanide concentration. To define the equilibrium isotherms, experimental data were analyzed by five mono component isotherm and six binary component isotherm models. The higher uptake capacity of phenol and cyanide onto CSAC biosorbent surface was 450.02 and 2.58 mg/g, respectively. Nonlinear regression analysis was used for determining the best fit model on the basis of error functions and also for calculating the parameters involved in kinetic and isotherm models. The kinetic study results revealed that Fractal-like mixed first second order model and Brouser-Weron-Sototlongo models for phenol and cyanide were capable to offer accurate explanation of biosorption kinetic. According to the experimental data results, CSAC with immobilization of bacterium S. odorifera (MTCC 5700) seems to be an alternative and effective biosorbent for the elimination of phenol and cyanide from binary component aqueous solution.

Spectral studies on the interaction of pinacyanol chloride with binary surfactants in aqueous medium.

PubMed

Manna, Kausik; Panda, Amiya Kumar

2009-12-01

Interaction of pinacyanol chloride (PIN) with pure and binary mixtures of cetyltrimethylammonium bromide (CTAB) and sodium deoxycholate (NaDC) was spectroscopically studied. Interaction of PIN with pure NaDC produced a blue shifted metachromatic band (at approximately 502 nm), which gradually shifted to higher wavelength region as the concentration of NaDC increased in the pre-micellar stage. For CTAB only intensity of both the bands increased without any shift. Mixed surfactant systems behaved differently than the pure components. Absorbance of monomeric band with a slight red-shift, and a simultaneous decrease in the absorbance of dimeric band of PIN, were observed for all the combinations in the post-micellar region. PIN-micelle binding constant (K(b)) for pure as well as mixed was determined from spectral data using Benesi-Hildebrand equation. Using the idea of Regular Solution Theory, micellar aggregates were assumed to be predominant than other aggregated state, like vesicles. Aggregation number was determined by fluorescence quenching method. Spectral analyses were also done to evaluate CMC values. Rubinigh's model for Regular Solution Theory was employed to evaluate the interaction parameters and micellar composition. Strong synergistic interaction between the oppositely charged surfactants was noted. Bulkier nature of NaDC lowered down its access in mixed micellar system.

Log-normal frailty models fitted as Poisson generalized linear mixed models.

PubMed

Hirsch, Katharina; Wienke, Andreas; Kuss, Oliver

2016-12-01

The equivalence of a survival model with a piecewise constant baseline hazard function and a Poisson regression model has been known since decades. As shown in recent studies, this equivalence carries over to clustered survival data: A frailty model with a log-normal frailty term can be interpreted and estimated as a generalized linear mixed model with a binary response, a Poisson likelihood, and a specific offset. Proceeding this way, statistical theory and software for generalized linear mixed models are readily available for fitting frailty models. This gain in flexibility comes at the small price of (1) having to fix the number of pieces for the baseline hazard in advance and (2) having to "explode" the data set by the number of pieces. In this paper we extend the simulations of former studies by using a more realistic baseline hazard (Gompertz) and by comparing the model under consideration with competing models. Furthermore, the SAS macro %PCFrailty is introduced to apply the Poisson generalized linear mixed approach to frailty models. The simulations show good results for the shared frailty model. Our new %PCFrailty macro provides proper estimates, especially in case of 4 events per piece. The suggested Poisson generalized linear mixed approach for log-normal frailty models based on the %PCFrailty macro provides several advantages in the analysis of clustered survival data with respect to more flexible modelling of fixed and random effects, exact (in the sense of non-approximate) maximum likelihood estimation, and standard errors and different types of confidence intervals for all variance parameters. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Structural difference rule for amorphous alloy formation by ion mixing

NASA Technical Reports Server (NTRS)

Liu, B.-X.; Johnson, W. L.; Nicolet, M.A.; Lau, S. S.

1983-01-01

A rule is formulated which establishes a sufficient condition that an amorphous binary alloy will be formed by ion mixing of multilayered samples when the two constituent metals are of different crystalline structure, regardless of their atomic sizes and electronegativities. The rule is supported by the experimental results obtained on six selected binary metal systems, as well as by the previous data reported in the literature. The amorphization mechanism is discussed in terms of the competition between two different structures resulting in frustration of the crystallization process.

Thermodynamics of concentrated electrolyte mixtures and the prediction of mineral solubilities to high temperatures for mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O

NASA Astrophysics Data System (ADS)

Pabalan, Roberto T.; Pitzer, Kenneth S.

1987-09-01

Mineral solubilities in binary and ternary electrolyte mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O are calculated to high temperatures using available thermodynamic data for solids and for aqueous electrolyte solutions. Activity and osmotic coefficients are derived from the ion-interaction model of Pitzer (1973, 1979) and co-workers, the parameters of which are evaluated from experimentally determined solution properties or from solubility data in binary and ternary mixtures. Excellent to good agreement with experimental solubilities for binary and ternary mixtures indicate that the model can be successfully used to predict mineral-solution equilibria to high temperatures. Although there are currently no theoretical forms for the temperature dependencies of the various model parameters, the solubility data in ternary mixtures can be adequately represented by constant values of the mixing term θ ij and values of ψ ijk which are either constant or have a simple temperature dependence. Since no additional parameters are needed to describe the thermodynamic properties of more complex electrolyte mixtures, the calculations can be extended to equilibrium studies relevant to natural systems. Examples of predicted solubilities are given for the quaternary system NaCl-KCl-MgCl 2-H 2O.

Multivariate meta-analysis using individual participant data

PubMed Central

Riley, R. D.; Price, M. J.; Jackson, D.; Wardle, M.; Gueyffier, F.; Wang, J.; Staessen, J. A.; White, I. R.

2016-01-01

When combining results across related studies, a multivariate meta-analysis allows the joint synthesis of correlated effect estimates from multiple outcomes. Joint synthesis can improve efficiency over separate univariate syntheses, may reduce selective outcome reporting biases, and enables joint inferences across the outcomes. A common issue is that within-study correlations needed to fit the multivariate model are unknown from published reports. However, provision of individual participant data (IPD) allows them to be calculated directly. Here, we illustrate how to use IPD to estimate within-study correlations, using a joint linear regression for multiple continuous outcomes and bootstrapping methods for binary, survival and mixed outcomes. In a meta-analysis of 10 hypertension trials, we then show how these methods enable multivariate meta-analysis to address novel clinical questions about continuous, survival and binary outcomes; treatment–covariate interactions; adjusted risk/prognostic factor effects; longitudinal data; prognostic and multiparameter models; and multiple treatment comparisons. Both frequentist and Bayesian approaches are applied, with example software code provided to derive within-study correlations and to fit the models. PMID:26099484

Composition measurements of binary mixture droplets by rainbow refractometry

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

Wilms, J.; Weigand, B

2007-04-10

So far, refractive index measurements by rainbow refractometry have been used to determine the temperature of single droplets and ensembles of droplets. Rainbow refractometry is, for the first time, to the best of our knowledge, applied to measure composition histories of evaporating, binary mixture droplets. An evaluation method is presented that makes use of Airy theory and the simultaneous size measurement by Mie scattering imaging. The method further includes an empirical correction function for a certain diameter and refractive index range. The measurement uncertainty was investigated by numerical simulations with Lorenz-Mie theory. For the experiments, an optical levitation setup wasmore » used allowing for long measurement periods. Temperature measurements of single-component droplets at different temperature levels are shown to demonstrate the accuracy of rainbow refractometry. Measurements of size and composition histories of binary mixture droplets are presented for two different mixtures. Experimental results show good agreement with numerical results using a rapid-mixing model.« less

A tutorial on Bayesian bivariate meta-analysis of mixed binary-continuous outcomes with missing treatment effects.

PubMed

Gajic-Veljanoski, Olga; Cheung, Angela M; Bayoumi, Ahmed M; Tomlinson, George

2016-05-30

Bivariate random-effects meta-analysis (BVMA) is a method of data synthesis that accounts for treatment effects measured on two outcomes. BVMA gives more precise estimates of the population mean and predicted values than two univariate random-effects meta-analyses (UVMAs). BVMA also addresses bias from incomplete reporting of outcomes. A few tutorials have covered technical details of BVMA of categorical or continuous outcomes. Limited guidance is available on how to analyze datasets that include trials with mixed continuous-binary outcomes where treatment effects on one outcome or the other are not reported. Given the advantages of Bayesian BVMA for handling missing outcomes, we present a tutorial for Bayesian BVMA of incompletely reported treatment effects on mixed bivariate outcomes. This step-by-step approach can serve as a model for our intended audience, the methodologist familiar with Bayesian meta-analysis, looking for practical advice on fitting bivariate models. To facilitate application of the proposed methods, we include our WinBUGS code. As an example, we use aggregate-level data from published trials to demonstrate the estimation of the effects of vitamin K and bisphosphonates on two correlated bone outcomes, fracture, and bone mineral density. We present datasets where reporting of the pairs of treatment effects on both outcomes was 'partially' complete (i.e., pairs completely reported in some trials), and we outline steps for modeling the incompletely reported data. To assess what is gained from the additional work required by BVMA, we compare the resulting estimates to those from separate UVMAs. We discuss methodological findings and make four recommendations. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Eta Carinae: An Astrophysical Laboratory

NASA Technical Reports Server (NTRS)

Gull, T.

2008-01-01

In the 1840s, Eta Carinae, a massive binary near the end of its hydrogen burning cycle, ejected at least ten solar masses of material rich in nitrogen at the expense of carbon and oxygen. The resultant chemistry has led to a most peculiar mix of metals, molecules and dust. We identify thousands of nebular absorption lines of ions including Fe, Ni, V, Sr, Sc and molecules including H2, CH, OH, but no CO. Today we see a wind-enshrouded massive binary in the center of an expanding neutral hourglass and skirt. A similar ionized internal structure is associated with a lesser ejection of the 1890s. Both systems respond to the 5.54-year modulation of X-ray and ultraviolet radiation as the less massive, hotter companion plunges through the extended wind of the more massive, cooler primary. Observations and models are being brought together to understand the properties of the wind-enshrouded central binary. In turn we are learning much atomic spectroscopy, what molecules form in oxygen-and carbon-deprived environments and potentially about a dust that is quite different from the interstellar dust. As the next periastron occurs in January 2009, a number of observing teams are preparing to test these models with new observations.

Lubrication model for evaporation of binary sessile drops

NASA Astrophysics Data System (ADS)

Williams, Adam; Sáenz, Pedro; Karapetsas, George; Matar, Omar; Sefiane, Khellil; Valluri, Prashant

2017-11-01

Evaporation of a binary mixture sessile drop from a solid substrate is a highly dynamic and complex process with flow driven both thermal and solutal Marangoni stresses. Experiments on ethanol/water drops have identified chaotic regimes on both the surface and interior of the droplet, while mixture composition has also been seen to govern drop wettability. Using a lubrication-type approach, we present a finite element model for the evaporation of an axisymmetric binary drop deposited on a heated substrate. We consider a thin drop with a moving contact line, taking also into account the commonly ignored effects of inertia which drives interfacial instability. We derive evolution equations for the film height, the temperature and the concentration field considering that the mixture comprises two ideally mixed volatile components with a surface tension linearly dependent on both temperature and concentration. The properties of the mixture such as viscosity also vary locally with concentration. We explore the parameter space to examine the resultant effects on wetting and evaporation where we find qualitative agreement with experiments in both these areas. This enables us to understand the nature of the instabilities that spontaneously emerge over the drop lifetime. EPSRC - EP/K00963X/1.

Properties of six short-period massive binaries: A study of the effects of binarity on surface chemical abundances

NASA Astrophysics Data System (ADS)

Martins, F.; Mahy, L.; Hervé, A.

2017-11-01

Context. A significant percentage of massive stars are found in multiple systems. The effect of binarity on stellar evolution is poorly constrained. In particular, the role of tides and mass transfer on surface chemical abundances is not constrained observationally. Aims: The aim of this study is to investigate the effect of binarity on the stellar properties and surface abundances of massive binaries. Methods: We performed a spectroscopic analysis of six Galactic massive binaries. We obtained the spectra of individual components via a spectral disentangling method and subsequently analyzed these spectra by means of atmosphere models. The stellar parameters and CNO surface abundances were determined. Results: Most of these six systems are comprised of main-sequence stars. Three systems are detached, two are in contact, and no information is available for the sixth system. For 11 out of the 12 stars studied, the surface abundances are only mildly affected by stellar evolution and mixing. The surface abundances are not different from those of single stars within the uncertainties. The secondary of XZ Cep is strongly chemically enriched. Considering previous determinations of surface abundances in massive binary systems suggests that the effect of tides on chemical mixing is limited, whereas the mass transfer and removal of outer layers of the mass donor leads to the appearance of chemically processed material at the surface, although this is not systematic. The evolutionary masses of the components of our six systems are on average 16.5% higher than the dynamical masses. Some systems seem to have reached synchronization, while others may still be in a transitory phase. Based on observations made with the SOPHIE spectrograph on the 1.93 m telescope at Observatoire de Haute-Provence (OHP, CNRS/AMU), France.

Bayesian inference on risk differences: an application to multivariate meta-analysis of adverse events in clinical trials.

PubMed

Chen, Yong; Luo, Sheng; Chu, Haitao; Wei, Peng

2013-05-01

Multivariate meta-analysis is useful in combining evidence from independent studies which involve several comparisons among groups based on a single outcome. For binary outcomes, the commonly used statistical models for multivariate meta-analysis are multivariate generalized linear mixed effects models which assume risks, after some transformation, follow a multivariate normal distribution with possible correlations. In this article, we consider an alternative model for multivariate meta-analysis where the risks are modeled by the multivariate beta distribution proposed by Sarmanov (1966). This model have several attractive features compared to the conventional multivariate generalized linear mixed effects models, including simplicity of likelihood function, no need to specify a link function, and has a closed-form expression of distribution functions for study-specific risk differences. We investigate the finite sample performance of this model by simulation studies and illustrate its use with an application to multivariate meta-analysis of adverse events of tricyclic antidepressants treatment in clinical trials.

Modelling melting in crustal environments, with links to natural systems in the Nepal Himalayas

NASA Astrophysics Data System (ADS)

Isherwood, C.; Holland, T.; Bickle, M.; Harris, N.

2003-04-01

Melt bodies of broadly granitic character occur frequently in mountain belts such as the Himalayan chain which exposes leucogranitic intrusions along its entire length (e.g. Le Fort, 1975). The genesis and disposition of these bodies have considerable implications for the development of tectonic evolution models for such mountain belts. However, melting processes and melt migration behaviour are influenced by many factors (Hess, 1995; Wolf &McMillan, 1995) which are as yet poorly understood. Recent improvements in internally consistent thermodynamic datasets have allowed the modelling of simple granitic melt systems (Holland &Powell, 2001) at pressures below 10 kbar, of which Himalayan leucogranites provide a good natural example. Model calculations such as these have been extended to include an asymmetrical melt-mixing model based on the Van Laar approach, which uses volumes (or pseudovolumes) for the different end-members in a mixture to control the asymmetry of non-ideal mixing. This asymmetrical formalism has been used in conjunction with several different entropy of mixing assumptions in an attempt to find the closest fit to available experimental data for melting in simple binary and ternary haplogranite systems. The extracted mixing data are extended to more complex systems and allow the construction of phase relations in NKASH necessary to model simple haplogranitic melts involving albite, K-feldspar, quartz, sillimanite and {H}2{O}. The models have been applied to real bulk composition data from Himalayan leucogranites.

Phase Stability and Electronic Structure of Prospective Sb-Based Mixed Sulfide and Iodide 3D Perovskite (CH3NH3)SbSI2.

PubMed

Li, Tianyang; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

2018-06-29

Lead-free antimony-based mixed sulfide and iodide perovskite phases have recently been reported to be synthesized experimentally and to exhibit reasonable photovoltaic performance. Through a combination of experimental validation and computational analysis, we show no evidence of the formation of the mixed sulfide and iodide perovskite phase, MASbSI 2 (MA = CH 3 NH 3 + ), and instead that the main products are a mixture of the binary and ternary compounds (Sb 2 S 3 and MA 3 Sb 2 I 9 ). Density functional theory calculations also indicate that such a mixed sulfide and iodide perovskite phase should be thermodynamically less stable compared with binary/ternary anion-segregated secondary phases and less likely to be synthesized under equilibrium conditions. Additionally, band structure calculations show that this mixed sulfide and iodide phase, if possible to synthesize (e.g., under nonequilibrium conditions), should have a suitable direct band gap for photovoltaic application.

Nearly ideal binary communication in squeezed channels

NASA Astrophysics Data System (ADS)

Paris, Matteo G.

2001-07-01

We analyze the effect of squeezing the channel in binary communication based on Gaussian states. We show that for coding on pure states, squeezing increases the detection probability at fixed size of the strategy, actually saturating the optimal bound already for moderate signal energy. Using Neyman-Pearson lemma for fuzzy hypothesis testing we are able to analyze also the case of mixed states, and to find the optimal amount of squeezing that can be effectively employed. It results that optimally squeezed channels are robust against signal mixing, and largely improve the strategy power by comparison with coherent ones.

Modelling fully convective stars in eclipsing binaries: KOI-126 and CM Draconis

NASA Astrophysics Data System (ADS)

Spada, F.; Demarque, P.

2012-05-01

We present models of the components of the systems KOI-126 and CM Draconis, the two eclipsing binary systems known to date to contain stars with masses low enough to have fully convective interiors. We are able to model satisfactorily the system KOI-126, finding consistent solutions for the radii and surface temperatures of all three components, using a solar-like value of the mixing-length parameter α in the convection zone and PHOENIX NextGen 1D model atmospheres for the surface boundary conditions. Depending on the chemical composition, we estimate the age of the system to be in the range 3-5 Gyr. For CM Draconis, on the other hand, we cannot reconcile our models with the observed radii and Teff using the current metal-poor composition estimate based on kinematics. Higher metallicities lessen but do not remove the discrepancy. We then explore the effect of varying the mixing-length parameter α. As previously noted in the literature, a reduced α can be used as a simple measure of the lower convective efficiency due to rotation and induced magnetic fields. Our models show a sensitivity to α (for α < 1.0) sufficient to partially account for the radius discrepancies. It is, however, impossible to reconcile the models with the observations on the basis of the effect of the reduced α alone. We therefore suggest that the combined effects of high metallicity and α reduction could explain the observations of CM Draconis. For example, increasing the metallicity of the system towards super-solar values (i.e. Z= 2 Z⊙) yields an agreement within 2σ with α= 1.0.

Physical Identification of Binary System of Gliclazide-Hydrophilic Polymers Using X-Ray Diffraction

NASA Astrophysics Data System (ADS)

Rachmawati, H.; Yatinasari, Faizatun, Syarie, S. A.

2008-03-01

The formation of binary system in pharmaceutical solid state is aimed to improve the physicochemical characteristics of active compound, such as its solubility. To identify the physical change of the binary system including crystallinity or particle morphology, there are many methods can be applied. In present report, we study the physical interaction of the binary system of gliclazide and hydrophilic polymers. In this binary system, gliclazide was either dispersed or mixed with polyvinyl pirrolidone (PVP K30) or polyethylene glycol (PEG 6000). The dispersion system of gliclazide in the polymeric carriers was prepared by solvation-evaporation method, using dichloromethane/methylene chloride as an organic solvent. The physical characterization of both dispersed and mixed of gliclazide was studied using X-ray diffraction at interval 6-50 °/2θ. As a comparison, the same procedure was performed for pure gliclazide. To confirm the diffractogram of this binary system, Fourier Transform Infrared (FT-IR) spectroscopy was carried out as well. Both diffarctogram and FT-IR spectra revealed that there was no new compound formed in the solid dispersion system of gliclazide:PEG 6000 and gliclazide:PVP K30. In contrast, the solubility as well as the dissolution rate of gliclazide in the presence of both hydrophilic polymers was increased as compared to pure gliclazide. We conclude therefore that solvatation followed by evaporation of gliclazide in the presence of either PEG 6000 or PVP K30 did not alter its crystalline characteristic. The improved of gliclazide solubility in the binary system might due to other mechanism such as increased in the wettability and the hydrophylicity effect of the polymers.

Complexation equilibria and coordination aspects of Zn(II) complexes contain 2-aminobenzamide and some bioactive amino acid mixed ligands: pH-metric, spectroscopic and thermodynamic studies.

PubMed

Dharmaraja, Jeyaprakash; Subbaraj, Paramasivam; Esakkidurai, Thirugnanasamy; Shobana, Sutha; Raji, Saravanan

2014-01-01

Mixed ligand complexation of 2-aminobenzamide (2AB) as ligand [L] with Zn(II) in the presence of some bio-relevant amino acid constituents like glycine (gly), L-alanine (ala), L-valine (val) and L-phenylalanine (phe) as ligand [B] have been investigated using pH-metric measurements with a combined pH electrode at different temperatures (300, 310, 320 and 330 ± 0.1 K) in 50% (v/v) ethanol-water mixture containing I = 0.15 M NaClO(4) as supporting electrolyte. Computer assisted analysis of the experimental titration data showed the presence of ZnLB and ZnLB2 species as mixed ligand complexes in addition to various binary species. In ZnLB/ZnLB(2) species, both primary and secondary ligands act as bidentate to form a stable six, five membered chelate ring. The calculated stabilization parameter Deltalog K, log X, log X' and % R.S. values clearly show the mixed ligand complexes have higher stabilities than their binary. Thermodynamic parameters DeltaG, DeltaH and DeltaS have been derived from the temperature dependence of the stability constants. The complexation behavior of ZnLB species has been studied by means of electronic spectra. The percentage distribution of various binary and mixed ligand species of each type of the complexes in solution depending on pH and the ratio of Zn(II) to 2-aminobenzamide/amino acid of the systems.

Mixed Metal Oxides of the Type CoxZn1-xFe2O4 as Photocatalysts for Malachite Green Degradation Under UV Light Irradiation.

PubMed

Tzvetkov, Martin; Milanova, Maria; Cherkezova-Zheleva, Zara; Spassova, Ivanka; Valcheva, Evgenia; Zaharieva, Joana; Ivan, Mitov

2017-06-01

A combination of thermal and mechanical (high energy ball milling) treatment was applied in an attempt to obtain polycrystalline mixed metal binary and ternary oxides of the type CoxZn1-xFe2O4 (x = 0; 0.25; 0.5; 0.75; 1). The synthetic procedure used successfully produced single-phased, homogeneous ZnFe2O4, CoFe2O4, and Co0.75Zn0.25Fe2O4, as well as mixed oxides, whose composition depended both on the duration of the high energy ball milling and the ratio Zn(II)/Co(II). The formation of spinel-like structures was proved by XRD, Mössbauer spectroscopy and Raman spectroscopy. For the characterization of the samples low-temperature N2 adsorption, UV/Vis spectroscopy and transmission electron microscopy were applied. The energy band gap of the samples was calculated, suggesting they are promising photocatalysts. The decomposition of the Malachite Green in model water solutions under UV-light irradiation was successfully achieved in the presence of the samples as photocatalysts. The highest rate constant was obtained for the sample synthesized at longer milling time in combination with higher Zn(II)/Co(II) ratio. The photocatalytic activity of the ternary mixed oxides was compared with the pure hematite, α-Fe2O3, and the binary ZnFe2O4 and CoFe2O4 ferrites with spinel structure that were treated in the same way. A synergetic effect of α-Fe2O3 and the spinel-like structure on the photocatalytic properties of ternary mixed metal oxides was detected.

A TWO-STATE MIXED HIDDEN MARKOV MODEL FOR RISKY TEENAGE DRIVING BEHAVIOR

PubMed Central

Jackson, John C.; Albert, Paul S.; Zhang, Zhiwei

2016-01-01

This paper proposes a joint model for longitudinal binary and count outcomes. We apply the model to a unique longitudinal study of teen driving where risky driving behavior and the occurrence of crashes or near crashes are measured prospectively over the first 18 months of licensure. Of scientific interest is relating the two processes and predicting crash and near crash outcomes. We propose a two-state mixed hidden Markov model whereby the hidden state characterizes the mean for the joint longitudinal crash/near crash outcomes and elevated g-force events which are a proxy for risky driving. Heterogeneity is introduced in both the conditional model for the count outcomes and the hidden process using a shared random effect. An estimation procedure is presented using the forward–backward algorithm along with adaptive Gaussian quadrature to perform numerical integration. The estimation procedure readily yields hidden state probabilities as well as providing for a broad class of predictors. PMID:27766124

On the role of structure-dynamic relationship in determining the excess entropy of mixing and chemical ordering in binary square-well liquid alloys

NASA Astrophysics Data System (ADS)

Lalneihpuii, R.; Shrivastava, Ruchi; Mishra, Raj Kumar

2018-05-01

Using statistical mechanical model with square-well (SW) interatomic potential within the frame work of mean spherical approximation, we determine the composition dependent microscopic correlation functions, interdiffusion coefficients, surface tension and chemical ordering in Ag-Cu melts. Further Dzugutov universal scaling law of normalized diffusion is verified with SW potential in binary mixtures. We find that the excess entropy scaling law is valid for SW binary melts. The partial and total structure factors in the attractive and repulsive regions of the interacting potential are evaluated and then Fourier transformed to get partial and total radial distribution functions. A good agreement between theoretical and experimental values for total structure factor and the reduced radial distribution function are observed, which consolidates our model calculations. The well-known Bhatia-Thornton correlation functions are also computed for Ag-Cu melts. The concentration-concentration correlations in the long wavelength limit in liquid Ag-Cu alloys have been analytically derived through the long wavelength limit of partial correlation functions and apply it to demonstrate the chemical ordering and interdiffusion coefficients in binary liquid alloys. We also investigate the concentration dependent viscosity coefficients and surface tension using the computed diffusion data in these alloys. Our computed results for structure, transport and surface properties of liquid Ag-Cu alloys obtained with square-well interatomic interaction are fully consistent with their corresponding experimental values.

Thermal Stability of Nanocrystalline Alloys by Solute Additions and A Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Saber, Mostafa

Nanocrystalline alloys show superior properties due to their exceptional microstructure. Thermal stability of these materials is a critical aspect. It is well known that grain boundaries in nanocrystalline microstructures cause a significant increase in the total free energy of the system. A driving force provided to reduce this excess free energy can cause grain growth. The presence of a solute addition within a nanocrystalline alloy can lead to the thermal stability. Kinetic and thermodynamic stabilization are the two basic mechanisms with which stability of a nanoscale grain size can be achieved at high temperatures. The basis of this thesis is to study the effect of solute addition on thermal stability of nanocrystalline alloys. The objective is to determine the effect of Zr addition on the thermal stability of mechanically alloyed nanocrysatillne Fe-Cr and Fe-Ni alloys. In Fe-Cr-Zr alloy system, nanoscale grain size stabilization was maintained up to 900 °C by adding 2 at% Zr. Kinetic pinning by intermetallic particles in the nanoscale range was identified as a primary mechanism of thermal stabilization. In addition to the grain size strengthening, intermetallic particles also contribute to strengthening mechanisms. The analysis of microhardness, XRD data, and measured grain sizes from TEM micrographs suggested that both thermodynamic and kinetic mechanisms are possible mechanisms. It was found that alpha → gamma phase transformation in Fe-Cr-Zr system does not influence the grain size stabilization. In the Fe-Ni-Zr alloy system, it was shown that the grain growth in Fe-8Ni-1Zr alloy is much less than that of pure Fe and Fe-8Ni alloy at elevated temperatures. The microstructure of the ternary Fe-8Ni-1Zr alloy remains in the nanoscale range up to 700 °C. Using an in-situ TEM study, it was determined that drastic grain growth occurs when the alpha → gamma phase transformation occurs. Accordingly, there can be a synergistic relationship between grain growth and alpha → gamma phase transformation in Fe-Ni-Zr alloys. In addition to the experimental study of thermal stabilization of nanocrystalline Fe-Cr-Zr or Fe-Ni-Zr alloys, the thesis presented here developed a new predictive model, applicable to strongly segregating solutes, for thermodynamic stabilization of binary alloys. This model can serve as a benchmark for selecting solute and evaluating the possible contribution of stabilization. Following a regular solution model, both the chemical and elastic strain energy contributions are combined to obtain the mixing enthalpy. The total Gibbs free energy of mixing is then minimized with respect to simultaneous variations in the grain boundary volume fraction and the solute concentration in the grain boundary and the grain interior. The Lagrange multiplier method was used to obtained numerical solutions. Application are given for the temperature dependence of the grain size and the grain boundary solute excess for selected binary system where experimental results imply that thermodynamic stabilization could be operative. This thesis also extends the binary model to a new model for thermodynamic stabilization of ternary nanocrystalline alloys. It is applicable to strongly segregating size-misfit solutes and uses input data available in the literature. In a same manner as the binary model, this model is based on a regular solution approach such that the chemical and elastic strain energy contributions are incorporated into the mixing enthalpy DeltaHmix, and the mixing entropy DeltaSmix is obtained using the ideal solution approximation. The Gibbs mixing free energy Delta Gmix is then minimized with respect to simultaneous variations in grain growth and solute segregation parameters. The Lagrange multiplier method is similarly used to obtain numerical solutions for the minimum Delta Gmix. The temperature dependence of the nanocrystalline grain size and interfacial solute excess can be obtained for selected ternary systems. As an example, model predictions are compared to experimental results for Fe-Cr-Zr and Fe-Ni-Zr alloy systems. Consistency between the experimental results and the present model predictions provide a more rigorous criterion for investigating thermal stabilization. However, other possible contributions for grain growth stabilization should still be considered.

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

Deposition behavior of mixed binary metallic powders in cold spraying process

NASA Astrophysics Data System (ADS)

Zhou, X. L.; Mou, S. J.; Wu, X. K.; Zhang, J. S.

2011-10-01

In the present study, Zn/Al composite coating was selected for the typical case to study the deposition behavior and the deformation of binary mixing particles in cold spraying process by means of an experiment and numerical simulation. The experimental results demonstrated that the coating had a dense microstructure, and that Zn and Al were uniformly distributed in the coating. Al particles deformed more severely than Zn particles, and extensively deformed Al particles had a local jet-metallic mixing area. The steel substrate underwent a small amount of deformation when impacted by Zn particles, whereas the substrate did not deform when impacted by Al particles. XRD results show that the Zn/Al composite coating did not form a new phase, and only resulted in the mechanical mixing of Zn and Al, producing a pseudo-alloy coating. In addition, a binary Zn/Al multiparticle impact was first simulated using the finite element analysis software ANSYS/LS-DYNA. The effective plastic strain contour, which enabled the description of the particle deposit procedure, was demonstrated. The plastic deformation evolution of Zn and Al particles in the composite coating was analyzed individually, and the curves of effective plastic strain versus time of typical monitored elements at the edge of the Zn and Al particles were plotted. The simulations showed good concordance with the experimental results.

Sol-gel type synthesis of Bi.sub.2 (Sr,Ta.sub.2)O.sub.9 using an acetate based system

DOEpatents

Boyle, Timothy J.

1997-01-01

A method of forming a layered-perovskite bismuth-strontium-tantalum oxide (SBT) ferroelectric material is performed by dissolving a bismuth compound in a first solvent to form a first solution, mixing a strontium compound and a tantalum compound to form a binary mixture, dissolving the binary mixture in a second solvent to form a second solution, mixing the first solution with the second solution to form a SBT precursor solution, evaporating the first and second solvents to form a SBT precursor material and subsequently sintering said SBT precursor material in the presence of oxygen.

Sol-gel type synthesis of Bi{sub 2}(Sr,Ta{sub 2})O{sub 9} using an acetate based system

DOEpatents

Boyle, T.J.

1997-11-04

A method of forming a layered-perovskite bismuth-strontium-tantalum oxide (SBT) ferroelectric material is performed by dissolving a bismuth compound in a first solvent to form a first solution, mixing a strontium compound and a tantalum compound to form a binary mixture, dissolving the binary mixture in a second solvent to form a second solution, mixing the first solution with the second solution to form a SBT precursor solution, evaporating the first and second solvents to form a SBT precursor material and subsequently sintering said SBT precursor material in the presence of oxygen. 6 figs.

Decoding Mode-mixing in Black-hole Merger Ringdown

NASA Technical Reports Server (NTRS)

Kelly, Bernard J.; Baker, John G.

2013-01-01

Optimal extraction of information from gravitational-wave observations of binary black-hole coalescences requires detailed knowledge of the waveforms. Current approaches for representing waveform information are based on spin-weighted spherical harmonic decomposition. Higher-order harmonic modes carrying a few percent of the total power output near merger can supply information critical to determining intrinsic and extrinsic parameters of the binary. One obstacle to constructing a full multi-mode template of merger waveforms is the apparently complicated behavior of some of these modes; instead of settling down to a simple quasinormal frequency with decaying amplitude, some |m| = modes show periodic bumps characteristic of mode-mixing. We analyze the strongest of these modes the anomalous (3, 2) harmonic mode measured in a set of binary black-hole merger waveform simulations, and show that to leading order, they are due to a mismatch between the spherical harmonic basis used for extraction in 3D numerical relativity simulations, and the spheroidal harmonics adapted to the perturbation theory of Kerr black holes. Other causes of mode-mixing arising from gauge ambiguities and physical properties of the quasinormal ringdown modes are also considered and found to be small for the waveforms studied here.

Modeling of multiple equilibria in the self-aggregation of di-n-decyldimethylammonium chloride/octaethylene glycol monododecyl ether/cyclodextrin ternary systems.

PubMed

Leclercq, Loïc; Lubart, Quentin; Aubry, Jean-Marie; Nardello-Rataj, Véronique

2013-05-28

The surface tension equations of binary surfactant mixtures (di-n-decyldimethylammonium chloride and octaethylene glycol monododecyl ether) are established by combining the Szyszkowski equation of surfactant solutions, the ideal or nonideal mixing theory, and the phase separation model. For surfactant mixtures, the surface tension at the air-water interface is calculated using nonideal theory due to synergism between the two adsorbed surfactant types. The incorporation of cyclodextrin complexation model to the surface tension equations gives a robust model for the description of the surface tension isotherms of binary, ternary, and more complex systems involving numerous inclusion complexes. The surface tension data obtained experimentally shows excellent agreement with the theoretical model below and above the formation of micelles. The strong synergistic effect observed between the two surfactants is disrupted by the presence of CDs, leading to ideal behavior of ternary systems. Indeed, depending on the nature of the cyclodextrin (i.e., α, β, or γ), which allows a tuning of the cavity size, the binding constants with the surfactants are modified as well as the surface properties due to strong modification of equilibria involved in the ternary mixture.

Model many-body Stoner Hamiltonian for binary FeCr alloys

NASA Astrophysics Data System (ADS)

Nguyen-Manh, D.; Dudarev, S. L.

2009-09-01

We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.

Improvements to the construction of binary black hole initial data

NASA Astrophysics Data System (ADS)

Ossokine, Serguei; Foucart, Francois; Pfeiffer, Harald P.; Boyle, Michael; Szilágyi, Béla

2015-12-01

Construction of binary black hole initial data is a prerequisite for numerical evolutions of binary black holes. This paper reports improvements to the binary black hole initial data solver in the spectral Einstein code, to allow robust construction of initial data for mass-ratio above 10:1, and for dimensionless black hole spins above 0.9, while improving efficiency for lower mass-ratios and spins. We implement a more flexible domain decomposition, adaptive mesh refinement and an updated method for choosing free parameters. We also introduce a new method to control and eliminate residual linear momentum in initial data for precessing systems, and demonstrate that it eliminates gravitational mode mixing during the evolution. Finally, the new code is applied to construct initial data for hyperbolic scattering and for binaries with very small separation.

Original predictive approach to the compressibility of pharmaceutical powder mixtures based on the Kawakita equation.

PubMed

Mazel, Vincent; Busignies, Virginie; Duca, Stéphane; Leclerc, Bernard; Tchoreloff, Pierre

2011-05-30

In the pharmaceutical industry, tablets are obtained by the compaction of two or more components which have different physical properties and compaction behaviours. Therefore, it could be interesting to predict the physical properties of the mixture using the single-component results. In this paper, we have focused on the prediction of the compressibility of binary mixtures using the Kawakita model. Microcrystalline cellulose (MCC) and L-alanine were compacted alone and mixed at different weight fractions. The volume reduction, as a function of the compaction pressure, was acquired during the compaction process ("in-die") and after elastic recovery ("out-of-die"). For the pure components, the Kawakita model is well suited to the description of the volume reduction. For binary mixtures, an original approach for the prediction of the volume reduction without using the effective Kawakita parameters was proposed and tested. The good agreement between experimental and predicted data proved that this model was efficient to predict the volume reduction of MCC and L-alanine mixtures during compaction experiments. Copyright © 2011 Elsevier B.V. All rights reserved.

Multivariate meta-analysis using individual participant data.

PubMed

Riley, R D; Price, M J; Jackson, D; Wardle, M; Gueyffier, F; Wang, J; Staessen, J A; White, I R

2015-06-01

When combining results across related studies, a multivariate meta-analysis allows the joint synthesis of correlated effect estimates from multiple outcomes. Joint synthesis can improve efficiency over separate univariate syntheses, may reduce selective outcome reporting biases, and enables joint inferences across the outcomes. A common issue is that within-study correlations needed to fit the multivariate model are unknown from published reports. However, provision of individual participant data (IPD) allows them to be calculated directly. Here, we illustrate how to use IPD to estimate within-study correlations, using a joint linear regression for multiple continuous outcomes and bootstrapping methods for binary, survival and mixed outcomes. In a meta-analysis of 10 hypertension trials, we then show how these methods enable multivariate meta-analysis to address novel clinical questions about continuous, survival and binary outcomes; treatment-covariate interactions; adjusted risk/prognostic factor effects; longitudinal data; prognostic and multiparameter models; and multiple treatment comparisons. Both frequentist and Bayesian approaches are applied, with example software code provided to derive within-study correlations and to fit the models. © 2014 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd.

Volumetric Properties, Viscosities, and Refractive Indices of the Binary Systems 1-Butanol + PEG 200, + PEG 400, and + TEGDME

NASA Astrophysics Data System (ADS)

Živković, N.; Šerbanović, S.; Kijevčanin, M.; Živković, E.

2013-06-01

Densities, viscosities, and refractive indices of three binary systems consisting of 1-butanol with polyethylene glycols of different molecular weights (PEG 200 and PEG 400) or tetraethylene glycol dimethyl ether (TEGDME) were measured at ten temperatures (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15, 328.15, and 333.15) K and atmospheric pressure. Densities of the selected binary mixtures were measured with an Anton Paar DMA 5000 digital vibrating U-tube densimeter, refractive indices were measured with an automatic Anton Paar RXA-156 refractometer, while for viscosity measurements, a digital Stabinger SVM 3000/G2 viscometer was used. From these data, excess molar volumes were calculated and fitted to the Redlich-Kister equation. The obtained results have been analyzed in terms of specific molecular interactions and mixing behavior between mixture components, as well as the influence of temperature on them. Viscosity data were also correlated by Grunberg-Nissan, Eyring-UNIQUAC, three-body McAlister, and Eyring-NRTL models.

MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems

USGS Publications Warehouse

Glynn, P.D.

1991-01-01

The computer code MBSSAS uses two-parameter Margules-type excess-free-energy of mixing equations to calculate thermodynamic equilibrium, pure-phase saturation, and stoichiometric saturation states in binary solid-solution aqueous-solution (SSAS) systems. Lippmann phase diagrams, Roozeboom diagrams, and distribution-coefficient diagrams can be constructed from the output data files, and also can be displayed by MBSSAS (on IBM-PC compatible computers). MBSSAS also will calculate accessory information, such as the location of miscibility gaps, spinodal gaps, critical-mixing points, alyotropic extrema, Henry's law solid-phase activity coefficients, and limiting distribution coefficients. Alternatively, MBSSAS can use such information (instead of the Margules, Guggenheim, or Thompson and Waldbaum excess-free-energy parameters) to calculate the appropriate excess-free-energy of mixing equation for any given SSAS system. ?? 1991.

One-dimensional Turbulence Models of Type I X-ray Bursts

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

Hou, Chen

Type I X-ray bursts are caused by thermonuclear explosions occurring on the surface of an accreting neutron star in a binary star system. Observations and simulations of these phenomena are of great importance for understanding the fundamental properties of neutron stars and dense matter because the equation of state for cold dense matter can be constrained by the mass-radius relationship of neutron stars. During the bursts, turbulence plays a key role in mixing the fuels and driving the unstable nuclear burning process. This dissertation presents one-dimensional models of photospheric radius expansion bursts with a new approach to simulate turbulent advection.more » Compared with the traditional mixing length theory, the one-dimensional turbulence (ODT) model represents turbulent motions by a sequence of maps that are generated according to a stochastic process. The light curves I obtained with the ODT models are in good agreement with those of the KEPLER model in which the mixing length theory and various diffusive processes are applied. The abundance comparison, however, indicates that the differences in turbulent regions and turbulent diffusivities result in more 12C survival during the bursts in the ODT models, which can make a difference in the superbursts phenomena triggered by unstable carbon burning.« less

Test and Evaluation Management Guide, Third Edition.

DTIC Science & Technology

1998-03-01

chemical tests — chemical mixing and biotoxicity . Chemical-mixing tests are con- ducted to obtain information on the binary chemical reaction... Biotoxicity tests are per- formed to assess the potency of the agent generated. Chemical weapons testing, of necessity, relies heavily on the use of non

A comparison of methods for the analysis of binomial clustered outcomes in behavioral research.

PubMed

Ferrari, Alberto; Comelli, Mario

2016-12-01

In behavioral research, data consisting of a per-subject proportion of "successes" and "failures" over a finite number of trials often arise. This clustered binary data are usually non-normally distributed, which can distort inference if the usual general linear model is applied and sample size is small. A number of more advanced methods is available, but they are often technically challenging and a comparative assessment of their performances in behavioral setups has not been performed. We studied the performances of some methods applicable to the analysis of proportions; namely linear regression, Poisson regression, beta-binomial regression and Generalized Linear Mixed Models (GLMMs). We report on a simulation study evaluating power and Type I error rate of these models in hypothetical scenarios met by behavioral researchers; plus, we describe results from the application of these methods on data from real experiments. Our results show that, while GLMMs are powerful instruments for the analysis of clustered binary outcomes, beta-binomial regression can outperform them in a range of scenarios. Linear regression gave results consistent with the nominal level of significance, but was overall less powerful. Poisson regression, instead, mostly led to anticonservative inference. GLMMs and beta-binomial regression are generally more powerful than linear regression; yet linear regression is robust to model misspecification in some conditions, whereas Poisson regression suffers heavily from violations of the assumptions when used to model proportion data. We conclude providing directions to behavioral scientists dealing with clustered binary data and small sample sizes. Copyright © 2016 Elsevier B.V. All rights reserved.

Rayleigh Light Scattering for Concentration Measurements in Turbulent Flows

NASA Technical Reports Server (NTRS)

Pitts, William M.

1996-01-01

Despite intensive research over a number of years, an understanding of scalar mixing in turbulent flows remains elusive. An understanding is required because turbulent mixing has a pivotal role in a wide variety of natural and technologically important processes. As an example, the mixing and transport of pollutants in the atmosphere and in bodies of water are often dependent on turbulent mixing processes. Turbulent mixing is also central to turbulent combustion which underlies most hydrocarbon energy use in modern societies as well as in unwanted fire behavior. Development of models for combusting flows is therefore crucial, however, an understanding of scalar mixing is required before useful models of turbulent mixing and, ultimately, turbulent combustion can be developed. An important subset of turbulent flows is axisymmetric turbulent jets and plumes because they are relatively simple to generate, and because the provide an appropriate test bed for the development of general theories of turbulent mixing which can be applied to more complex geometries and flows. This paper focuses on a number of experimental techniques which have been developed at the National Institute of Standards and Development for measuring concentration in binary axisymmetric turbulent jets. In order to demonstrate the value of these diagnostics, some of the more important results from earlier and on-going investigations are summarized. Topics addressed include the similarity behavior of variable density axisymmetric jets, the behavior of absolutely unstable axisymmetric helium jets, and the role of large scale structures and scalar dissipation in these flows.

Lithium and age of pre-main sequence stars: the case of Parenago 1802

NASA Astrophysics Data System (ADS)

Giarrusso, M.; Tognelli, E.; Catanzaro, G.; Degl'Innocenti, S.; Dell'Omodarme, M.; Lamia, L.; Leone, F.; Pizzone, R. G.; Prada Moroni, P. G.; Romano, S.; Spitaleri, C.

2016-04-01

With the aim to test the present capability of the stellar surface lithium abundance in providing an estimation for the age of PMS stars, we analyze the case of the detached, double-lined, eclipsing binary system PAR 1802. For this system, the lithium age has been compared with the theoretical one, as estimated by applying a Bayesian analysis method on a large grid of stellar evolutionary models. The models have been computed for several values of chemical composition and mixing length, by means of the code FRANEC updated with the Trojan Horse reaction rates involving lithium burning.

Description of the behavior of dichloroalkanes-containing solutions with three [bXmpy][BF4] isomers, using the experimental information of thermodynamic properties, 1H NMR spectral and the COSMO-RS-methodology.

PubMed

Fernández, Luis; Ortega, Juan; Palomar, José; Toledo, Francisco; Marrero, Elena

2015-02-26

This work studies the binaries of 1-butyl-X-methylpyridinium tetrafluoroborate [bXmpy][BF4] (X = 2, 3, and 4) with four 1,ω-dichloroalkanes, ω = 1-4, using the results obtained for the mixing properties h(E) and v(E) at two temperatures. The three isomers of the ionic liquid (IL) are weakly miscible with the 1,ω-dichloroalkanes when ω ≥ 5 and moderately soluble for ω = 4. The v(E)s of all the binaries present contractive effects, v(E) < 0, which are more pronounced with increasing temperature; the variation in v(E) with ω is positive, although this changes after ω = 4 due to problems of immiscibility. The energetic effects of the mixing process are exothermic in the solutions with the shorter dichloroalkanes, ω = 1 and 2, and this effect increases slightly with temperature. However, mildly exothermic effects are found in the binaries with larger halides, where (dh(E)/dT) > 0. The experimental data are correlated with a suitable equation. The study is completed with (1)H NMR measurements of both the pure compounds and some of the solutions, which showed minor diamagnetic shifts with increasing IL compositions, related to the anisotropy of the pyridine ring. The variation in h(E) with ω for a same IL, due to an increase in the contact surfaces, is related to the reduction in polarity which, in turn, depends on the smaller chemical shifts of the pure dihalide compounds. The COSMO-RS method determines the energetic effects of the mixing process and predicts an exothermic contribution for the electrostatic Misfit-interaction which is quantitatively very similar for the three IL isomers. The differences proposed by the model are mainly reflected in the van der Waals interactions, which are exothermic and clearly influenced by the position of the methylene group in the IL. The contribution made by hydrogen bonds is negligible.

Interaction in Balanced Cross Nested Designs

NASA Astrophysics Data System (ADS)

Ramos, Paulo; Mexia, João T.; Carvalho, Francisco; Covas, Ricardo

2011-09-01

Commutative Jordan Algebras, CJA, are used in the study of mixed models obtained, through crossing and nesting, from simpler ones. In the study of cross nested models the interaction between nested factors have been systematically discarded. However this can constitutes an artificial simplification of the models. We point out that, when two crossed factors interact, such interaction is symmetric, both factors playing in it equivalent roles, while when two nested factors interact, the interaction is determined by the nesting factor. These interactions will be called interactions with nesting. In this work we present a coherent formulation of the algebraic structure of models enabling the choice of families of interactions between cross and nested factors using binary operations on CJA.

Nonlinear inversion of potential-field data using a hybrid-encoding genetic algorithm

USGS Publications Warehouse

Chen, C.; Xia, J.; Liu, J.; Feng, G.

2006-01-01

Using a genetic algorithm to solve an inverse problem of complex nonlinear geophysical equations is advantageous because it does not require computer gradients of models or "good" initial models. The multi-point search of a genetic algorithm makes it easier to find the globally optimal solution while avoiding falling into a local extremum. As is the case in other optimization approaches, the search efficiency for a genetic algorithm is vital in finding desired solutions successfully in a multi-dimensional model space. A binary-encoding genetic algorithm is hardly ever used to resolve an optimization problem such as a simple geophysical inversion with only three unknowns. The encoding mechanism, genetic operators, and population size of the genetic algorithm greatly affect search processes in the evolution. It is clear that improved operators and proper population size promote the convergence. Nevertheless, not all genetic operations perform perfectly while searching under either a uniform binary or a decimal encoding system. With the binary encoding mechanism, the crossover scheme may produce more new individuals than with the decimal encoding. On the other hand, the mutation scheme in a decimal encoding system will create new genes larger in scope than those in the binary encoding. This paper discusses approaches of exploiting the search potential of genetic operations in the two encoding systems and presents an approach with a hybrid-encoding mechanism, multi-point crossover, and dynamic population size for geophysical inversion. We present a method that is based on the routine in which the mutation operation is conducted in the decimal code and multi-point crossover operation in the binary code. The mix-encoding algorithm is called the hybrid-encoding genetic algorithm (HEGA). HEGA provides better genes with a higher probability by a mutation operator and improves genetic algorithms in resolving complicated geophysical inverse problems. Another significant result is that final solution is determined by the average model derived from multiple trials instead of one computation due to the randomness in a genetic algorithm procedure. These advantages were demonstrated by synthetic and real-world examples of inversion of potential-field data. ?? 2005 Elsevier Ltd. All rights reserved.

Test and Evaluation Management Guide, Fifth Edition

DTIC Science & Technology

2005-01-01

determine if a weapon will be useful in combat), chemical weapons testing involves two types of chemical tests—chemical mixing and biotoxicity . Chemical...mixing tests are conducted to obtain in- formation on the binary chemical reaction. Biotoxicity tests are performed to assess the potency of the agent

Optimal one-way and roundtrip journeys design by mixed-integer programming

NASA Astrophysics Data System (ADS)

Ribeiro, Isabel M.; Vale, Cecília

2017-12-01

The introduction of multimodal/intermodal networks in transportation problems, especially when considering roundtrips, adds complexity to the models. This article presents two models for the optimization of intermodal trips as a contribution to the integration of transport modes in networks. The first model is devoted to one-way trips while the second one is dedicated to roundtrips. The original contribution of this research to transportation is mainly the consideration of roundtrips in the optimization process of intermodal transport, especially because the transport mode between two nodes on the return trip should be the same as the one on the outward trip if both nodes are visited on the return trip, which is a valuable aspect for transport companies. The mathematical formulations of both models leads to mixed binary linear programs, which is not a common approach for this type of problem. In this article, as well as the model description, computational experience is included to highlight the importance and efficiency of the proposed models, which may provide a valuable tool for transport managers.

Supramolecular domains in mixed peptide self-assembled monolayers on gold nanoparticles.

PubMed

Duchesne, Laurence; Wells, Geoff; Fernig, David G; Harris, Sarah A; Lévy, Raphaël

2008-09-01

Self-organization in mixed self-assembled monolayers of small molecules provides a route towards nanoparticles with complex molecular structures. Inspired by structural biology, a strategy based on chemical cross-linking is introduced to probe proximity between functional peptides embedded in a mixed self-assembled monolayer at the surface of a nanoparticle. The physical basis of the proximity measurement is a transition from intramolecular to intermolecular cross-linking as the functional peptides get closer. Experimental investigations of a binary peptide self-assembled monolayer show that this transition happens at an extremely low molar ratio of the functional versus matrix peptide. Molecular dynamics simulations of the peptide self-assembled monolayer are used to calculate the volume explored by the reactive groups. Comparison of the experimental results with a probabilistic model demonstrates that the peptides are not randomly distributed at the surface of the nanoparticle, but rather self-organize into supramolecular domains.

The use of simple reparameterizations to improve the efficiency of Markov chain Monte Carlo estimation for multilevel models with applications to discrete time survival models.

PubMed

Browne, William J; Steele, Fiona; Golalizadeh, Mousa; Green, Martin J

2009-06-01

We consider the application of Markov chain Monte Carlo (MCMC) estimation methods to random-effects models and in particular the family of discrete time survival models. Survival models can be used in many situations in the medical and social sciences and we illustrate their use through two examples that differ in terms of both substantive area and data structure. A multilevel discrete time survival analysis involves expanding the data set so that the model can be cast as a standard multilevel binary response model. For such models it has been shown that MCMC methods have advantages in terms of reducing estimate bias. However, the data expansion results in very large data sets for which MCMC estimation is often slow and can produce chains that exhibit poor mixing. Any way of improving the mixing will result in both speeding up the methods and more confidence in the estimates that are produced. The MCMC methodological literature is full of alternative algorithms designed to improve mixing of chains and we describe three reparameterization techniques that are easy to implement in available software. We consider two examples of multilevel survival analysis: incidence of mastitis in dairy cattle and contraceptive use dynamics in Indonesia. For each application we show where the reparameterization techniques can be used and assess their performance.

A neural net based architecture for the segmentation of mixed gray-level and binary pictures

NASA Technical Reports Server (NTRS)

Tabatabai, Ali; Troudet, Terry P.

1991-01-01

A neural-net-based architecture is proposed to perform segmentation in real time for mixed gray-level and binary pictures. In this approach, the composite picture is divided into 16 x 16 pixel blocks, which are identified as character blocks or image blocks on the basis of a dichotomy measure computed by an adaptive 16 x 16 neural net. For compression purposes, each image block is further divided into 4 x 4 subblocks; a one-bit nonparametric quantizer is used to encode 16 x 16 character and 4 x 4 image blocks; and the binary map and quantizer levels are obtained through a neural net segmentor over each block. The efficiency of the neural segmentation in terms of computational speed, data compression, and quality of the compressed picture is demonstrated. The effect of weight quantization is also discussed. VLSI implementations of such adaptive neural nets in CMOS technology are described and simulated in real time for a maximum block size of 256 pixels.

Enhanced aqueous solubility of polycyclic aromatic hydrocarbons by green diester-linked cationic gemini surfactants and their binary solutions

NASA Astrophysics Data System (ADS)

Panda, Manorama; Fatma, Nazish; Kabir-ud-Din

2016-07-01

Three homologues of a novel biodegradable diester-linked cationic gemini surfactant series, CmH2m+1 (CH3)2N+(CH2COOCH2)2N+(CH3)2CmH2m+1.2Cl- (m-E2-m; m = 12, 14, 16), were used for investigation of the solubilization of polycyclic aromatic hydrocarbons (PAHs) such as naphthalene, anthracene and pyrene in single as well as binary surfactant solutions. Physicochemical parameters of the pure/mixed systems were derived by conductivity and surface tension measurements. Dissolution capacity of the equimolar binary surfactant solutions towards the PAHs was studied from the molar solubilization ratio (MSR), micelle-water partition coefficient (Km) and free energy of solubilization (ΔGs0) of the solubilizates. Influence of hydrophobic chain length of the dimeric surfactants on solubilization was characterized. Aqueous solubility of the PAHs was enhanced linearly with concentration of the surfactant in all the pure and mixed gemini-gemini surfactant systems.

Optical triple-in digital logic using nonlinear optical four-wave mixing

NASA Astrophysics Data System (ADS)

Widjaja, Joewono; Tomita, Yasuo

1995-08-01

A new programmable optical processor is proposed for implementing triple-in combinatorial digital logic that uses four-wave mixing. Binary-coded decimal-to-octal decoding is experimentally demonstrated by use of a photorefractive BaTiO 3 crystal. The result confirms the feasibility of the proposed system.

Poloxamer 407/188 binary thermosensitive hydrogels as delivery systems for infiltrative local anesthesia: Physico-chemical characterization and pharmacological evaluation.

PubMed

Akkari, Alessandra C S; Papini, Juliana Z Boava; Garcia, Gabriella K; Franco, Margareth K K Dias; Cavalcanti, Leide P; Gasperini, Antonio; Alkschbirs, Melissa Inger; Yokaichyia, Fabiano; de Paula, Eneida; Tófoli, Giovana R; de Araujo, Daniele R

2016-11-01

In this study, we reported the development and the physico-chemical characterization of poloxamer 407 (PL407) and poloxamer 188 (PL188) binary systems as hydrogels for delivering ropivacaine (RVC), as drug model, and investigate their use in infiltrative local anesthesia for applications on the treatment of post-operative pain. We studied drug-micelle interaction and micellization process by light scattering and differential scanning calorimetry (DSC), the sol-gel transition and hydrogel supramolecular structure by small-angle-X-ray scattering (SAXS) and morphological evaluation by Scanning Electron Microscopy (SEM). In addition, we have presented the investigation of drug release mechanisms, in vitro/in vivo toxic and analgesic effects. Micellar dimensions evaluation showed the formation of PL407-PL188 mixed micelles and the drug incorporation, as well as the DSC studies showed increased enthalpy values for micelles formation after addition of PL 188 and RVC, indicating changes on self-assembly and the mixed micelles formation evoked by drug incorporation. SAXS studies revealed that the phase organization in hexagonal structure was not affected by RVC insertion into the hydrogels, maintaining their supramolecular structure. SEM analysis showed similar patterns after RVC addition. The RVC release followed the Higuchi model, modulated by the PL final concentration and the insertion of PL 188 into the system. Furthermore, the association PL407-PL188 induced lower in vitro cytotoxic effects, increased the duration of analgesia, in a single-dose model study, without evoking in vivo inflammation signs after local injection. Copyright © 2016 Elsevier B.V. All rights reserved.

Fuzzy multiobjective models for optimal operation of a hydropower system

NASA Astrophysics Data System (ADS)

Teegavarapu, Ramesh S. V.; Ferreira, André R.; Simonovic, Slobodan P.

2013-06-01

Optimal operation models for a hydropower system using new fuzzy multiobjective mathematical programming models are developed and evaluated in this study. The models use (i) mixed integer nonlinear programming (MINLP) with binary variables and (ii) integrate a new turbine unit commitment formulation along with water quality constraints used for evaluation of reservoir downstream impairment. Reardon method used in solution of genetic algorithm optimization problems forms the basis for development of a new fuzzy multiobjective hydropower system optimization model with creation of Reardon type fuzzy membership functions. The models are applied to a real-life hydropower reservoir system in Brazil. Genetic Algorithms (GAs) are used to (i) solve the optimization formulations to avoid computational intractability and combinatorial problems associated with binary variables in unit commitment, (ii) efficiently address Reardon method formulations, and (iii) deal with local optimal solutions obtained from the use of traditional gradient-based solvers. Decision maker's preferences are incorporated within fuzzy mathematical programming formulations to obtain compromise operating rules for a multiobjective reservoir operation problem dominated by conflicting goals of energy production, water quality and conservation releases. Results provide insight into compromise operation rules obtained using the new Reardon fuzzy multiobjective optimization framework and confirm its applicability to a variety of multiobjective water resources problems.

Dynamics of phase separation of binary fluids

NASA Technical Reports Server (NTRS)

Ma, Wen-Jong; Maritan, Amos; Banavar, Jayanth R.; Koplik, Joel

1992-01-01

The results of molecular-dynamics studies of surface-tension-dominated spinodal decomposition of initially well-mixed binary fluids in the absence and presence of gravity are presented. The growth exponent for the domain size and the decay exponent of the potential energy of interaction between the two species with time are found to be 0.6 +/- 0.1, inconsistent with scaling arguments based on dimensional analysis.

The Evolution of Massive Close Binaries: Anomalous Relationship between Nitrogen Abundances and Rotational Velocities

NASA Astrophysics Data System (ADS)

Song, Hanfeng; Wang, Jiangtao; Song, Fen; Zhang, Ruiyu; Li, Zhi; Peng, Weiguo; Zhan, Qiong; Jing, Jianghong

2018-05-01

The combined effects of rotation and mass accretion on the evolution of binary systems are investigated in this work. Rotational binaries provide us with a promising channel that could explain the abnormal phenomenon of the nitrogen abundances in Groups 1 and 2 of the Galactic Hunter diagram. Group 1 contains fast-rotating but nitrogen-unenriched stars, whereas Group 2 includes apparently slowly rotating but nitrogen-enhanced stars. The donor star suffers from heavy mass loss that progressively exposes deep layers of nitrogen and corresponding angular momentum loss that can efficiently spin the star down. Rapid-rotation stars without nitrogen enrichment may be related to mass gainers that had accreted little matter from a close companion and then been spun up to rapid rotation. Nitrogen enrichment of mass gainers can be greatly suppressed by low accreting efficiency, which is induced by critical rotation, thermohaline mixing, and the gradient of mean molecular weight. Nitrogen enrichment due to mass accretion appears to be more efficient than that due to rotational mixing, because there exist thermohaline instabilities during Roche lobe overflow. The mixing in the enlarged convective core reduces carbon and nitrogen abundances but increases oxygen abundances in mass gainers. This process significantly triggers CNO cycling but does not support CN cycling. The orbital separation can be widened because of the nonconservative mass transfer, and this process gives rise to weak tidal torques. Therefore, invoking binaries has the potential to simultaneously explain the observed stars in Groups 1 and 2 of the Galactic Hunter diagram.

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.

Mixed models approaches for joint modeling of different types of responses.

PubMed

Ivanova, Anna; Molenberghs, Geert; Verbeke, Geert

2016-01-01

In many biomedical studies, one jointly collects longitudinal continuous, binary, and survival outcomes, possibly with some observations missing. Random-effects models, sometimes called shared-parameter models or frailty models, received a lot of attention. In such models, the corresponding variance components can be employed to capture the association between the various sequences. In some cases, random effects are considered common to various sequences, perhaps up to a scaling factor; in others, there are different but correlated random effects. Even though a variety of data types has been considered in the literature, less attention has been devoted to ordinal data. For univariate longitudinal or hierarchical data, the proportional odds mixed model (POMM) is an instance of the generalized linear mixed model (GLMM; Breslow and Clayton, 1993). Ordinal data are conveniently replaced by a parsimonious set of dummies, which in the longitudinal setting leads to a repeated set of dummies. When ordinal longitudinal data are part of a joint model, the complexity increases further. This is the setting considered in this paper. We formulate a random-effects based model that, in addition, allows for overdispersion. Using two case studies, it is shown that the combination of random effects to capture association with further correction for overdispersion can improve the model's fit considerably and that the resulting models allow to answer research questions that could not be addressed otherwise. Parameters can be estimated in a fairly straightforward way, using the SAS procedure NLMIXED.

Lossless compression of VLSI layout image data.

PubMed

Dai, Vito; Zakhor, Avideh

2006-09-01

We present a novel lossless compression algorithm called Context Copy Combinatorial Code (C4), which integrates the advantages of two very disparate compression techniques: context-based modeling and Lempel-Ziv (LZ) style copying. While the algorithm can be applied to many lossless compression applications, such as document image compression, our primary target application has been lossless compression of integrated circuit layout image data. These images contain a heterogeneous mix of data: dense repetitive data better suited to LZ-style coding, and less dense structured data, better suited to context-based encoding. As part of C4, we have developed a novel binary entropy coding technique called combinatorial coding which is simultaneously as efficient as arithmetic coding, and as fast as Huffman coding. Compression results show C4 outperforms JBIG, ZIP, BZIP2, and two-dimensional LZ, and achieves lossless compression ratios greater than 22 for binary layout image data, and greater than 14 for gray-pixel image data.

Mixing, diffusion, and percolation in binary supported membranes containing mixtures of lipids and amphiphilic block copolymers.

PubMed

Gettel, Douglas L; Sanborn, Jeremy; Patel, Mira A; de Hoog, Hans-Peter; Liedberg, Bo; Nallani, Madhavan; Parikh, Atul N

2014-07-23

Substrate-mediated fusion of small polymersomes, derived from mixtures of lipids and amphiphilic block copolymers, produces hybrid, supported planar bilayers at hydrophilic surfaces, monolayers at hydrophobic surfaces, and binary monolayer/bilayer patterns at amphiphilic surfaces, directly responding to local measures of (and variations in) surface free energy. Despite the large thickness mismatch in their hydrophobic cores, the hybrid membranes do not exhibit microscopic phase separation, reflecting irreversible adsorption and limited lateral reorganization of the polymer component. With increasing fluid-phase lipid fraction, these hybrid, supported membranes undergo a fluidity transition, producing a fully percolating fluid lipid phase beyond a critical area fraction, which matches the percolation threshold for the immobile point obstacles. This then suggests that polymer-lipid hybrid membranes might be useful models for studying obstructed diffusion, such as occurs in lipid membranes containing proteins.

Theoretical predictions for the phase stability of dense binary mixtures

NASA Astrophysics Data System (ADS)

Macfarlane, J. J.

1983-08-01

A new approach is developed for evaluating the mixing properties of binary solutions at high pressure. This involves solving Poisson's equation throughout three-dimensional cubic lattices, consistent with Thomas-Fermi-Dirac (TFD) theory. Zero temperature calculations are carried out for a variety of compositions and crystal structures in 3 pressure groups relevant to Jovian planetary interiors. Pseudopotentials based on the two-component-plasma model (with a uniform electron background) are fitted to the solid-state results, and are then used in liquid-state calculations using hard-sphere perturbation theory. TFD results if H-He solutions find critical temperatures (above which all compositions are soluble) to be approx. 0.500, and 1500 K at pressures of 10, 100, and 1000 Mbar, respectively. These temperatures are much lower than those obtained using free electron perturbation theory, where Tcrit approx. 10,000 K at 10 Mbar.

Detecting single-trial EEG evoked potential using a wavelet domain linear mixed model: application to error potentials classification.

PubMed

Spinnato, J; Roubaud, M-C; Burle, B; Torrésani, B

2015-06-01

The main goal of this work is to develop a model for multisensor signals, such as magnetoencephalography or electroencephalography (EEG) signals that account for inter-trial variability, suitable for corresponding binary classification problems. An important constraint is that the model be simple enough to handle small size and unbalanced datasets, as often encountered in BCI-type experiments. The method involves the linear mixed effects statistical model, wavelet transform, and spatial filtering, and aims at the characterization of localized discriminant features in multisensor signals. After discrete wavelet transform and spatial filtering, a projection onto the relevant wavelet and spatial channels subspaces is used for dimension reduction. The projected signals are then decomposed as the sum of a signal of interest (i.e., discriminant) and background noise, using a very simple Gaussian linear mixed model. Thanks to the simplicity of the model, the corresponding parameter estimation problem is simplified. Robust estimates of class-covariance matrices are obtained from small sample sizes and an effective Bayes plug-in classifier is derived. The approach is applied to the detection of error potentials in multichannel EEG data in a very unbalanced situation (detection of rare events). Classification results prove the relevance of the proposed approach in such a context. The combination of the linear mixed model, wavelet transform and spatial filtering for EEG classification is, to the best of our knowledge, an original approach, which is proven to be effective. This paper improves upon earlier results on similar problems, and the three main ingredients all play an important role.

Binary effect of fly ash and palm oil fuel ash on heat of hydration aerated concrete.

PubMed

Mehmannavaz, Taha; Ismail, Mohammad; Radin Sumadi, Salihuddin; Rafique Bhutta, Muhammad Aamer; Samadi, Mostafa; Sajjadi, Seyed Mahdi

2014-01-01

The binary effect of pulverized fuel ash (PFA) and palm oil fuel ash (POFA) on heat of hydration of aerated concrete was studied. Three aerated concrete mixes were prepared, namely, concrete containing 100% ordinary Portland cement (control sample or Type I), binary concrete made from 50% POFA (Type II), and ternary concrete containing 30% POFA and 20% PFA (Type III). It is found that the temperature increases due to heat of hydration through all the concrete specimens especially in the control sample. However, the total temperature rises caused by the heat of hydration through both of the new binary and ternary concrete were significantly lower than the control sample. The obtained results reveal that the replacement of Portland cement with binary and ternary materials is beneficial, particularly for mass concrete where thermal cracking due to extreme heat rise is of great concern.

Binary Effect of Fly Ash and Palm Oil Fuel Ash on Heat of Hydration Aerated Concrete

PubMed Central

Mehmannavaz, Taha; Ismail, Mohammad; Radin Sumadi, Salihuddin; Rafique Bhutta, Muhammad Aamer; Samadi, Mostafa

2014-01-01

The binary effect of pulverized fuel ash (PFA) and palm oil fuel ash (POFA) on heat of hydration of aerated concrete was studied. Three aerated concrete mixes were prepared, namely, concrete containing 100% ordinary Portland cement (control sample or Type I), binary concrete made from 50% POFA (Type II), and ternary concrete containing 30% POFA and 20% PFA (Type III). It is found that the temperature increases due to heat of hydration through all the concrete specimens especially in the control sample. However, the total temperature rises caused by the heat of hydration through both of the new binary and ternary concrete were significantly lower than the control sample. The obtained results reveal that the replacement of Portland cement with binary and ternary materials is beneficial, particularly for mass concrete where thermal cracking due to extreme heat rise is of great concern. PMID:24696646

Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices

NASA Astrophysics Data System (ADS)

Garcia Bertrand, Raquel

In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary decisions, i.e., on/off status for the units, and therefore optimality conditions cannot be directly applied. To avoid limitations provoked by binary variables, while retaining the advantages of using optimality conditions, we define the multi-period market equilibrium using Benders decomposition, which allows computing binary variables through the master problem and continuous variables through the subproblem. Finally, we illustrate these market equilibrium concepts through several case studies.

The Quantitative Determination of Food Dyes in Powdered Drink Mixes: A High School or General Science Experiment

ERIC Educational Resources Information Center

Sigmann, Samuella B.; Wheeler, Dale E.

2004-01-01

The development of a simple spectro photometric method to quantitatively determine the quantity of FD&C color additives present in powdered drink mixes, are focused by the investigations. Samples containing single dyes of binary mixtures of dyes can be analyzed using this method.

Waveform model for an eccentric binary black hole based on the effective-one-body-numerical-relativity formalism

NASA Astrophysics Data System (ADS)

Cao, Zhoujian; Han, Wen-Biao

2017-08-01

Binary black hole systems are among the most important sources for gravitational wave detection. They are also good objects for theoretical research for general relativity. A gravitational waveform template is important to data analysis. An effective-one-body-numerical-relativity (EOBNR) model has played an essential role in the LIGO data analysis. For future space-based gravitational wave detection, many binary systems will admit a somewhat orbit eccentricity. At the same time, the eccentric binary is also an interesting topic for theoretical study in general relativity. In this paper, we construct the first eccentric binary waveform model based on an effective-one-body-numerical-relativity framework. Our basic assumption in the model construction is that the involved eccentricity is small. We have compared our eccentric EOBNR model to the circular one used in the LIGO data analysis. We have also tested our eccentric EOBNR model against another recently proposed eccentric binary waveform model; against numerical relativity simulation results; and against perturbation approximation results for extreme mass ratio binary systems. Compared to numerical relativity simulations with an eccentricity as large as about 0.2, the overlap factor for our eccentric EOBNR model is better than 0.98 for all tested cases, including spinless binary and spinning binary, equal mass binary, and unequal mass binary. Hopefully, our eccentric model can be the starting point to develop a faithful template for future space-based gravitational wave detectors.

Surface tension estimation of high temperature melts of the binary alloys Ag-Au

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2017-11-01

Surface tension calculation of the binary alloys Ag-Au at the temperature of 1381 K, where Ag and Au have similar electronic structures and their atomic radii are comparable, are carried out in this study using several equations over entire composition range of Au. Apparently, the deviations from ideality of the bulk solutions, such as activities of Ag and Au are small and the maximum excess Gibbs free energy of mixing of the liquid phase is for instance -4500 J/mol at XAu = 0.5. Besides, the results obtained in Ag-Au alloys that at a constant temperature the surface tension increases with increasing composition while the surface tension decreases as the temperature increases for entire composition range of Au. Although data about surface tension of the Ag-Au alloy are limited, it was possible to make a comparison for the calculated results for the surface tension in this study with the available experimental data. Taken together, the average standard error analysis that especially the improved Guggenheim model in the other models gives the best agreement along with the experimental results at temperature 1383 K although almost all models are mutually in agreement with the other one.

Binary ferrihydrite catalysts

DOEpatents

Huffman, Gerald P.; Zhao, Jianmin; Feng, Zhen

1996-01-01

A method of preparing a catalyst precursor comprises dissolving an iron salt and a salt of an oxoanion forming agent, in water so that a solution of the iron salt and oxoanion forming agent salt has a ratio of oxoanion/Fe of between 0.0001:1 to 0.5:1. Next is increasing the pH of the solution to 10 by adding a strong base followed by collecting of precipitate having a binary ferrihydrite structure. A binary ferrihydrite catalyst precursor is also prepared by dissolving an iron salt in water. The solution is brought to a pH of substantially 10 to obtain ferrihydrite precipitate. The precipitate is then filtered and washed with distilled water and subsequently admixed with a hydroxy carboxylic acid solution. The admixture is mixed/agitated and the binary ferrihydrite precipitate is then filtered and recovered.

The Development of Web-based Graphical User Interface for Unified Modeling Data with Multi (Correlated) Responses

NASA Astrophysics Data System (ADS)

Made Tirta, I.; Anggraeni, Dian

2018-04-01

Statistical models have been developed rapidly into various directions to accommodate various types of data. Data collected from longitudinal, repeated measured, clustered data (either continuous, binary, count, or ordinal), are more likely to be correlated. Therefore statistical model for independent responses, such as Generalized Linear Model (GLM), Generalized Additive Model (GAM) are not appropriate. There are several models available to apply for correlated responses including GEEs (Generalized Estimating Equations), for marginal model and various mixed effect model such as GLMM (Generalized Linear Mixed Models) and HGLM (Hierarchical Generalized Linear Models) for subject spesific models. These models are available on free open source software R, but they can only be accessed through command line interface (using scrit). On the othe hand, most practical researchers very much rely on menu based or Graphical User Interface (GUI). We develop, using Shiny framework, standard pull down menu Web-GUI that unifies most models for correlated responses. The Web-GUI has accomodated almost all needed features. It enables users to do and compare various modeling for repeated measure data (GEE, GLMM, HGLM, GEE for nominal responses) much more easily trough online menus. This paper discusses the features of the Web-GUI and illustrates the use of them. In General we find that GEE, GLMM, HGLM gave very closed results.

First Principles Calculations of Transition Metal Binary Alloys: Phase Stability and Surface Effects

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Shimizu, Koji; Kishida, Ryo; Kojima, Kazuki; Linh, Nguyen Hoang; Nakanishi, Hiroshi; Kasai, Hideaki

2017-06-01

The phase stability and surface effects on binary transition metal nano-alloy systems were investigated using density functional theory-based first principles calculations. In this study, we evaluated the cohesive and alloying energies of six binary metal alloy bulk systems that sample each type of alloys according to miscibility, i.e., Au-Ag and Pd-Ag for the solid solution-type alloys (SS), Pd-Ir and Pd-Rh for the high-temperature solid solution-type alloys (HTSS), and Au-Ir and Ag-Rh for the phase-separation (PS)-type alloys. Our results and analysis show consistency with experimental observations on the type of materials in the bulk phase. Varying the lattice parameter was also shown to have an effect on the stability of the bulk mixed alloy system. It was observed, particularly for the PS- and HTSS-type materials, that mixing gains energy from the increasing lattice constant. We furthermore evaluated the surface effects, which is an important factor to consider for nanoparticle-sized alloys, through analysis of the (001) and (111) surface facets. We found that the stability of the surface depends on the optimization of atomic positions and segregation of atoms near/at the surface, particularly for the HTSS and the PS types of metal alloys. Furthermore, the increase in energy for mixing atoms at the interface of the atomic boundaries of PS- and HTSS-type materials is low enough to overcome by the gain in energy through entropy. These, therefore, are the main proponents for the possibility of mixing alloys near the surface.

Improved solubility and oral bioavailability of apigenin via Soluplus/Pluronic F127 binary mixed micelles system.

PubMed

Zhang, Zhenhai; Cui, Changchang; Wei, Fang; Lv, Huixia

2017-08-01

The aim of this study was to develop a novel mix micelles system composing of two biocompatible copolymers of Soluplus ® and Pluronic F127 to improve the solubility, oral bioavailability of insoluble drug apigenin (AP) as model drug. The AP-loaded mixed micelles (AP-M) were prepared by ethanol thin-film hydration method. The formed optimal formulation of AP-M were provided with small size (178.5 nm) and spherical shape at ratio of 4:1 (Soluplus ® :Pluronic F127), as well as increasing solubility of to 5.61 mg/mL in water which was about 3442-fold compared to that of free AP. The entrapment efficiency and drug loading of AP-M were 95.72 and 5.32%, respectively, and a sustained release of AP-M was obtained as in vitro release study indicated. Transcellular transport study showed that the cell uptake of AP was increased in Caco-2 cell transport models. The oral bioavailability of AP-M was 4.03-fold of free AP in SD rats, indicating the mixed micelles of Soluplus ® and Pluronic F127 is an industrially feasible drug delivery system to promote insoluble drug oral absorption in the gastrointestinal tract.

The Phase Behavior of γ-Oryzanol and β-Sitosterol in Edible Oil.

PubMed

Sawalha, Hassan; Venema, Paul; Bot, Arjen; Flöter, Eckhard; Adel, Ruud den; van der Linden, Erik

The phase behavior of binary mixtures of γ-oryzanol and β-sitosterol and ternary mixtures of γ-oryzanol and β-sitosterol in sunflower oil was studied. Binary mixtures of γ-oryzanol and β-sitosterol show double-eutectic behavior. Complex phase behavior with two intermediate mixed solid phases was derived from differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) data, in which a compound that consists of γ-oryzanol and β-sitosterol molecules at a specific ratio can be formed. SAXS shows that the organization of γ-oryzanol and β-sitosterol in the mixed phases is different from the structure of tubules in ternary systems. Ternary mixtures including sunflower oil do not show a sudden structural transition from the compound to a tubule, but a gradual transition occurs as γ-oryzanol and β-sitosterol are diluted in edible oil. The same behavior is observed when melting binary mixtures of γ-oryzanol and β-sitosterol at higher temperatures. This indicates the feasibility of having an organogelling agent in dynamic exchange between solid and liquid phase, which is an essential feature of triglyceride networks.

New analytical technique for carbon dioxide absorption solvents

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

Pouryousefi, F.; Idem, R.O.

2008-02-15

The densities and refractive indices of two binary systems (water + MEA and water + MDEA) and three ternary systems (water + MEA + CO{sub 2}, water + MDEA + CO{sub 2}, and water + MEA + MDEA) used for carbon dioxide (CO{sub 2}) capture were measured over the range of compositions of the aqueous alkanolamine(s) used for CO{sub 2} absorption at temperatures from 295 to 338 K. Experimental densities were modeled empirically, while the experimental refractive indices were modeled using well-established models from the known values of their pure-component densities and refractive indices. The density and Gladstone-Dale refractive indexmore » models were then used to obtain the compositions of unknown samples of the binary and ternary systems by simultaneous solution of the density and refractive index equations. The results from this technique have been compared with HPLC (high-performance liquid chromatography) results, while a third independent technique (acid-base titration) was used to verify the results. The results show that the systems' compositions obtained from the simple and easy-to-use refractive index/density technique were very comparable to the expensive and laborious HPLC/titration techniques, suggesting that the refractive index/density technique can be used to replace existing methods for analysis of fresh or nondegraded, CO{sub 2}-loaded, single and mixed alkanolamine solutions.« less

Preparation and evaluation of icariside II-loaded binary mixed micelles using Solutol HS15 and Pluronic F127 as carriers.

PubMed

Hou, Jian; Wang, Jing; Sun, E; Yang, Lei; Yan, Hong-Mei; Jia, Xiao-Bin; Zhang, Zhen-Hai

2016-11-01

An effective anti-cancer drug, icariside II (IS), has been used to treat a variety of cancers in vitro. However, its poor aqueous solubility and permeability lead to low oral bioavailability. The aim of this work was to use Solutol®HS15 and Pluronic F127 as surfactants to develop novel mixed micelles to enhance the oral bioavailability of IS by improving permeability and inhibiting efflux. The IS-loaded mixed micelles were prepared using the method of ethanol thin-film hydration. The physicochemical properties, dissolution property, oral bioavailability of the male SD rats, permeability and efflux of Caco-2 transport models, and gastrointestinal safety of the mixed micelles were evaluated. The optimized IS-loaded mixed micelles showed that at 4:1 ratio of Solutol®HS15 and Pluronic F127, the particle size was 12.88 nm with an acceptable polydispersity index of 0.172. Entrapment efficiency (94.6%) and drug loading (9.7%) contributed to the high solubility (11.7 mg/mL in water) of IS, which increased about 900-fold. The SF-IS mixed micelle release profile showed a better sustained release property than that of IS. In Caco-2 cell monolayer models, the efflux ratio dramatically decreased by 83.5%, and the relative bioavailability of the mixed micelles (AUC 0-∞ ) compared with that of IS (AUC 0-∞ ) was 317%, indicating potential for clinical application. In addition, a gastrointestinal safety assay also provided reliable clinical evidence for the safe use of this micelle.

Hierarchically self-assembled hexagonal honeycomb and kagome superlattices of binary 1D colloids.

PubMed

Lim, Sung-Hwan; Lee, Taehoon; Oh, Younghoon; Narayanan, Theyencheri; Sung, Bong June; Choi, Sung-Min

2017-08-25

Synthesis of binary nanoparticle superlattices has attracted attention for a broad spectrum of potential applications. However, this has remained challenging for one-dimensional nanoparticle systems. In this study, we investigate the packing behavior of one-dimensional nanoparticles of different diameters into a hexagonally packed cylindrical micellar system and demonstrate that binary one-dimensional nanoparticle superlattices of two different symmetries can be obtained by tuning particle diameter and mixing ratios. The hexagonal arrays of one-dimensional nanoparticles are embedded in the honeycomb lattices (for AB 2 type) or kagome lattices (for AB 3 type) of micellar cylinders. The maximization of free volume entropy is considered as the main driving force for the formation of superlattices, which is well supported by our theoretical free energy calculations. Our approach provides a route for fabricating binary one-dimensional nanoparticle superlattices and may be applicable for inorganic one-dimensional nanoparticle systems.Binary mixtures of 1D particles are rarely observed to cooperatively self-assemble into binary superlattices, as the particle types separate into phases. Here, the authors design a system that avoids phase separation, obtaining binary superlattices with different symmetries by simply tuning the particle diameter and mixture composition.

Application of experimental design and derivative spectrophotometry methods in optimization and analysis of biosorption of binary mixtures of basic dyes from aqueous solutions.

PubMed

Asfaram, Arash; Ghaedi, Mehrorang; Ghezelbash, Gholam Reza; Pepe, Francesco

2017-05-01

Simultaneous biosorption of malachite green (MG) and crystal violet (CV) on biosorbent Yarrowia lipolytica ISF7 was studied. An appropriate derivative spectrophotometry technique was used to evaluate the concentration of each dye in binary solutions, despite significant interferences in visible light absorbances. The effects of pH, temperature, growth time, initial MG and CV concentration in batch experiments were assessed using Design of Experiment (DOE) according to central composite second order response surface methodology (RSM). The analysis showed that the greatest biosorption efficiency (>99% for both dyes) can be obtained at pH 7.0, T=28°C, 24h mixing and 20mgL -1 initial concentrations for both MG and CV dyes. The quadratic constructed equation ability for fitting experimental data is judged based on criterions like R 2 values, significant p and lack-of-fit value strongly confirm its high adequacy and applicability for prediction of revel behavior of the system under study. The proposed model showed very high correlation coefficients (R 2 =0.9997 for CV and R 2 =0.9989 for MG), while supported by closeness of predicted and experimental value. A kinetic analysis was carried out, showing that for both dyes a pseudo-second order kinetic model adequately describes the available data. The Langmuir isotherm model in single and binary components has better performance for description of dyes biosorption with maximum monolayer biosorption capacity of 59.4 and 62.7mgg -1 in single component and 46.4 and 50.0mgg -1 for CV and MB in binary components, respectively. The surface structure of biosorbents and the possible biosorbents-dyes interactions between were also evaluated by Fourier transform infrared (FT-IR) spectroscopy and scanning electron microscopy (SEM). The values of thermodynamic parameters including ΔG° and ΔH° strongly confirm which method is spontaneous and endothermic. Copyright © 2017. Published by Elsevier Inc.

An approximate generalized linear model with random effects for informative missing data.

PubMed

Follmann, D; Wu, M

1995-03-01

This paper develops a class of models to deal with missing data from longitudinal studies. We assume that separate models for the primary response and missingness (e.g., number of missed visits) are linked by a common random parameter. Such models have been developed in the econometrics (Heckman, 1979, Econometrica 47, 153-161) and biostatistics (Wu and Carroll, 1988, Biometrics 44, 175-188) literature for a Gaussian primary response. We allow the primary response, conditional on the random parameter, to follow a generalized linear model and approximate the generalized linear model by conditioning on the data that describes missingness. The resultant approximation is a mixed generalized linear model with possibly heterogeneous random effects. An example is given to illustrate the approximate approach, and simulations are performed to critique the adequacy of the approximation for repeated binary data.

Acyl chain unsaturation modulates distribution of lecithin molecular species between mixed micelles and vesicles in model bile. Implications for particle structure and metastable cholesterol solubilities.

PubMed

Cohen, D E; Carey, M C

1991-08-01

We determined the distribution of lecithin molecular species between vesicles and mixed micelles in cholesterol super-saturated model biles (molar taurocholate-lecithin-cholesterol ratio 67:23:10, 3 g/dl, 0.15 M NaCl, pH approximately 6-7) that contained equimolar synthetic lecithin mixtures or egg yolk or soybean lecithins. After apparent equilibration (48 h), biles were fractionated by Superose 6 gel filtration chromatography at 20 degrees C, and lecithin molecular species in the vesicle and mixed micellar fractions were quantified as benzoyl diacylglycerides by high performance liquid chromatography. With binary lecithin mixtures, vesicles were enriched with lecithins containing the most saturated sn-1 or sn-2 chains by as much as 2.4-fold whereas mixed micelles were enriched in the more unsaturated lecithins. Vesicles isolated from model biles composed of egg yolk (primarily sn-1 16:0 and 18:0 acyl chains) or soy bean (mixed saturated and unsaturated sn-1 acyl chains) lecithins were selectively enriched (6.5-76%) in lecithins with saturated sn-1 acyl chains whereas mixed micelles were enriched with lecithins composed of either sn-1 18:1, 18:2, and 18:3 unsaturated or sn-2 20:4, 22:4, and 22:6 polyunsaturated chains. Gel filtration, lipid analysis, and quasielastic light scattering revealed that apparent micellar cholesterol solubilities and metastable vesicle cholesterol/lecithin molar ratios were as much as 60% and 100% higher, respectively, in biles composed of unsaturated lecithins. Acyl chain packing constraints imposed by distinctly different particle geometries most likely explain the asymmetric distribution of lecithin molecular species between vesicles and mixed micelles in model bile as well as the variations in apparent micellar cholesterol solubilities and vesicle cholesterol/lecithin molar ratios.(ABSTRACT TRUNCATED AT 250 WORDS)

Binary ferrihydrite catalysts

DOEpatents

Huffman, G.P.; Zhao, J.; Feng, Z.

1996-12-03

A method of preparing a catalyst precursor comprises dissolving an iron salt and a salt of an oxoanion forming agent, in water so that a solution of the iron salt and oxoanion forming agent salt has a ratio of oxoanion/Fe of between 0.0001:1 to 0.5:1. Next is increasing the pH of the solution to 10 by adding a strong base followed by collecting of precipitate having a binary ferrihydrite structure. A binary ferrihydrite catalyst precursor is also prepared by dissolving an iron salt in water. The solution is brought to a pH of substantially 10 to obtain ferrihydrite precipitate. The precipitate is then filtered and washed with distilled water and subsequently admixed with a hydroxy carboxylic acid solution. The admixture is mixed/agitated and the binary ferrihydrite precipitate is then filtered and recovered. 3 figs.

Concurrent generation of multivariate mixed data with variables of dissimilar types.

PubMed

Amatya, Anup; Demirtas, Hakan

2016-01-01

Data sets originating from wide range of research studies are composed of multiple variables that are correlated and of dissimilar types, primarily of count, binary/ordinal and continuous attributes. The present paper builds on the previous works on multivariate data generation and develops a framework for generating multivariate mixed data with a pre-specified correlation matrix. The generated data consist of components that are marginally count, binary, ordinal and continuous, where the count and continuous variables follow the generalized Poisson and normal distributions, respectively. The use of the generalized Poisson distribution provides a flexible mechanism which allows under- and over-dispersed count variables generally encountered in practice. A step-by-step algorithm is provided and its performance is evaluated using simulated and real-data scenarios.

Breaking from binaries - using a sequential mixed methods design.

PubMed

Larkin, Patricia Mary; Begley, Cecily Marion; Devane, Declan

2014-03-01

To outline the traditional worldviews of healthcare research and discuss the benefits and challenges of using mixed methods approaches in contributing to the development of nursing and midwifery knowledge. There has been much debate about the contribution of mixed methods research to nursing and midwifery knowledge in recent years. A sequential exploratory design is used as an exemplar of a mixed methods approach. The study discussed used a combination of focus-group interviews and a quantitative instrument to obtain a fuller understanding of women's experiences of childbirth. In the mixed methods study example, qualitative data were analysed using thematic analysis and quantitative data using regression analysis. Polarised debates about the veracity, philosophical integrity and motivation for conducting mixed methods research have largely abated. A mixed methods approach can contribute to a deeper, more contextual understanding of a variety of subjects and experiences; as a result, it furthers knowledge that can be used in clinical practice. The purpose of the research study should be the main instigator when choosing from an array of mixed methods research designs. Mixed methods research offers a variety of models that can augment investigative capabilities and provide richer data than can a discrete method alone. This paper offers an example of an exploratory, sequential approach to investigating women's childbirth experiences. A clear framework for the conduct and integration of the different phases of the mixed methods research process is provided. This approach can be used by practitioners and policy makers to improve practice.

Influence of mixed electrolytes and pH on adsorption of bovine serum albumin in hydrophobic interaction chromatography.

PubMed

Hackemann, Eva; Hasse, Hans

2017-10-27

Using salt mixtures instead of single salts can be beneficial for hydrophobic interaction chromatography (HIC). The effect of electrolytes on the adsorption of proteins, however, depends on the pH. Little is known on that dependence for mixed electrolytes. Therefore, the effect of the pH on protein adsorption from aqueous solutions containing mixed salts is systematically studied in the present work for a model system: the adsorption of bovine serum albumin (BSA) on the mildly hydrophobic resin Toyopearl PPG-600M. The pH is adjusted to 4.0, 4.7 or 7.0 using 25mM sodium phosphate or sodium citrate buffer. Binary and ternary salt mixtures of sodium chloride, ammonium chloride, sodium sulfate and ammonium sulfate as well as the pure salts are used at overall ionic strengths between 1500 and 4200mM. The temperature is always 25°C. The influence of the mixed electrolytes on the adsorption behavior of BSA changes completely with varying pH. Positive as well as negative cooperative effects of the mixed electrolytes are observed. The results are analyzed using a mathematical model which was recently introduced by our group. In that model the influence of the electrolytes is described by a Taylor series expansion in the individual ion molarities. After suitable parametrization using a subset of the data determined in the present work, the model successfully predicts the influence of mixed electrolytes on the protein adsorption. Furthermore, results for BSA from the present study are compared to literature data for lysozyme, which are available for the same adsorbent, temperature and salts. By calculating the ratio of the loading of the adsorbent for both proteins particularly favorable separation conditions can be selected. Hence, a model-based optimization of solvents for protein separation is possible. Copyright © 2017 Elsevier B.V. All rights reserved.

A minimal mathematical model combining several regulatory cycles from the budding yeast cell cycle.

PubMed

Sriram, K; Bernot, G; Képès, F

2007-11-01

A novel topology of regulatory networks abstracted from the budding yeast cell cycle is studied by constructing a simple nonlinear model. A ternary positive feedback loop with only positive regulations is constructed with elements that activates the subsequent element in a clockwise fashion. A ternary negative feedback loop with only negative regulations is constructed with the elements that inhibit the subsequent element in an anticlockwise fashion. Positive feedback loop exhibits bistability, whereas the negative feedback loop exhibits limit cycle oscillations. The novelty of the topology is that the corresponding elements in these two homogeneous feedback loops are linked by the binary positive feedback loops with only positive regulations. This results in the emergence of mixed feedback loops in the network that displays complex behaviour like the coexistence of multiple steady states, relaxation oscillations and chaos. Importantly, the arrangement of the feedback loops brings in the notion of checkpoint in the model. The model also exhibits domino-like behaviour, where the limit cycle oscillations take place in a stepwise fashion. As the aforementioned topology is abstracted from the budding yeast cell cycle, the events that govern the cell cycle are considered for the present study. In budding yeast, the sequential activation of the transcription factors, cyclins and their inhibitors form mixed feedback loops. The transcription factors that involve in the positive regulation in a clockwise orientation generates ternary positive feedback loop, while the cyclins and their inhibitors that involve in the negative regulation in an anticlockwise orientation generates ternary negative feedback loop. The mutual regulation between the corresponding elements in the transcription factors and the cyclins and their inhibitors generates binary positive feedback loops. The bifurcation diagram constructed for the whole system can be related to the different events of the cell cycle in terms of dynamical system theory. The checkpoint mechanism that plays an important role in different phases of the cell cycle are accounted for by silencing appropriate feedback loops in the model.

Empirical evidence about inconsistency among studies in a pair‐wise meta‐analysis

PubMed Central

Turner, Rebecca M.; Higgins, Julian P. T.

2015-01-01

This paper investigates how inconsistency (as measured by the I2 statistic) among studies in a meta‐analysis may differ, according to the type of outcome data and effect measure. We used hierarchical models to analyse data from 3873 binary, 5132 continuous and 880 mixed outcome meta‐analyses within the Cochrane Database of Systematic Reviews. Predictive distributions for inconsistency expected in future meta‐analyses were obtained, which can inform priors for between‐study variance. Inconsistency estimates were highest on average for binary outcome meta‐analyses of risk differences and continuous outcome meta‐analyses. For a planned binary outcome meta‐analysis in a general research setting, the predictive distribution for inconsistency among log odds ratios had median 22% and 95% CI: 12% to 39%. For a continuous outcome meta‐analysis, the predictive distribution for inconsistency among standardized mean differences had median 40% and 95% CI: 15% to 73%. Levels of inconsistency were similar for binary data measured by log odds ratios and log relative risks. Fitted distributions for inconsistency expected in continuous outcome meta‐analyses using mean differences were almost identical to those using standardized mean differences. The empirical evidence on inconsistency gives guidance on which outcome measures are most likely to be consistent in particular circumstances and facilitates Bayesian meta‐analysis with an informative prior for heterogeneity. © 2015 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd. © 2015 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd. PMID:26679486

Mixed raster content (MRC) model for compound image compression

NASA Astrophysics Data System (ADS)

de Queiroz, Ricardo L.; Buckley, Robert R.; Xu, Ming

1998-12-01

This paper will describe the Mixed Raster Content (MRC) method for compressing compound images, containing both binary test and continuous-tone images. A single compression algorithm that simultaneously meets the requirements for both text and image compression has been elusive. MRC takes a different approach. Rather than using a single algorithm, MRC uses a multi-layered imaging model for representing the results of multiple compression algorithms, including ones developed specifically for text and for images. As a result, MRC can combine the best of existing or new compression algorithms and offer different quality-compression ratio tradeoffs. The algorithms used by MRC set the lower bound on its compression performance. Compared to existing algorithms, MRC has some image-processing overhead to manage multiple algorithms and the imaging model. This paper will develop the rationale for the MRC approach by describing the multi-layered imaging model in light of a rate-distortion trade-off. Results will be presented comparing images compressed using MRC, JPEG and state-of-the-art wavelet algorithms such as SPIHT. MRC has been approved or proposed as an architectural model for several standards, including ITU Color Fax, IETF Internet Fax, and JPEG 2000.

On Visualizing Mixed-Type Data: A Joint Metric Approach to Profile Construction and Outlier Detection

ERIC Educational Resources Information Center

Grané, Aurea; Romera, Rosario

2018-01-01

Survey data are usually of mixed type (quantitative, multistate categorical, and/or binary variables). Multidimensional scaling (MDS) is one of the most extended methodologies to visualize the profile structure of the data. Since the past 60s, MDS methods have been introduced in the literature, initially in publications in the psychometrics area.…

A Simple Theory to Predict Small Changes in Volume and Refractivity During Mixing of a Two-Component Liquid System.

ERIC Educational Resources Information Center

Aminabhavi, Tejraj M.

1983-01-01

Discusses a set of relations (addressing changes in volume and refractivity) for use in the study of binary systems. Suggests including such an experiment in undergraduate physical chemistry courses (measuring density/refractive index of pure compounds and their mixtures) to predict even small changes occurring during mixing process. (Author/JN)

Effects of concentration, temperature and solvent composition on density and apparent molar volume of the binary mixtures of cationic-anionic surfactants in methanol-water mixed solvent media.

PubMed

Bhattarai, Ajaya; Chatterjee, Sujeet Kumar; Niraula, Tulasi Prasad

2013-01-01

The accurate measurements on density of the binary mixtures of cetyltrimethylammonium bromide and sodium dodecyl sulphate in pure water and in methanol(1) + water (2) mixed solvent media containing (0.10, 0.20, and 0.30) volume fractions of methanol at 308.15, 318.15, and 323.15 K are reported. The concentrations are varied from (0.03 to 0.12) mol.l(-1) of sodium dodecyl sulphate in presence of ~ 5.0×10(-4) mol.l(-1) cetyltrimethylammonium bromide. The results showed almost increase in the densities with increasing surfactant mixture concentration, also the densities are found to decrease with increasing temperature over the entire concentration range, investigated in a given mixed solvent medium and these values are found to decrease with increasing methanol content in the solvent composition. The concentration dependence of the apparent molar volumes appear to be negligible over the entire concentration range, investigated in a given mixed solvent medium and the apparent molar volumes increase with increasing temperature and are found to decrease with increasing methanol content in the solvent composition.

Quasi-Chemical PC-SAFT: An Extended Perturbed Chain-Statistical Associating Fluid Theory for Lattice-Fluid Mixtures.

PubMed

Parvaneh, Khalil; Shariati, Alireza

2017-09-07

In this study, a new modification of the perturbed chain-statistical associating fluid theory (PC-SAFT) has been proposed by incorporating the lattice fluid theory of Guggenheim as an additional term to the original PC-SAFT terms. As the proposed model has one more term than the PC-SAFT, a new mixing rule has been developed especially for the new additional term, while for the conventional terms of the PC-SAFT, the one-fluid mixing rule is used. In order to evaluate the proposed model, the vapor-liquid equilibria were estimated for binary CO 2 mixtures with 16 different ionic liquids (ILs) of the 1-alkyl-3-methylimidazolium family with various anions consisting of bis(trifluoromethylsulfonyl) imide, hexafluorophosphate, tetrafluoroborate, and trifluoromethanesulfonate. For a comprehensive comparison, three different modes (different adjustable parameters) of the proposed model were compared with the conventional PC-SAFT. Results indicate that the proposed modification of the PC-SAFT EoS is generally more reliable with respect to the conventional PC-SAFT in all the three proposed modes of vapor-liquid equilibria, giving good agreement with literature data.

Evaluation of the deformation behavior of binary systems of methacrylic acid copolymers and hydroxypropyl methylcellulose using a compaction simulator.

PubMed

Tatavarti, Aditya S; Muller, Francis X; Hoag, Stephen W

2008-02-04

Methacrylic acid copolymers have been shown to enhance release of weakly basic drugs from rate controlling polymer matrices through the mechanism of microenvironmental pH modulation. Since these matrices are typically formed through a compaction process, an understanding of the deformation behavior of these polymers in there neat form and in combination with rate controlling polymers such as HPMC is critical to their successful formulation. Binary mixes of two methacrylic acid copolymers, Eudragit L100 and L100-55 in combination with HPMC K4M were subjected to compaction studies on a compaction simulator. The deformation behavior of the powder mixes was analyzed based on pressure-porosity relationships, strain rate sensitivity (SRS), residual die wall force data and work of compaction. Methacrylic acid copolymers, L100-55 and L-100 and the hydrophilic polymer, HPMC K4M exhibited Heckel plots representative of plastic deformation although L-100 exhibited significantly greater resistance to densification as evident from the high yield pressure values ( approximately 120MPa). The yield pressures for the binary mixes were linearly related to the weight fractions of the components. All powder mixes exhibited significant speed sensitivity with SRS values ranging from 21.7% to 42.4%. The residual die-wall pressures indicated that at slow speeds (1mm/s) and at lower pressures (<150MPa), HPMC possesses significant elastic behavior. However, the good compacts formed at this punch speed indicate significant plastic deformation and bond formation which is able to predominate over the elastic recovery component. The apparent mean yield pressure values, the residual die-wall forces and the net work of compaction exhibited a linear relationship with mixture composition, thereby indicating predictability of these parameters based on the behavior of the neat materials.

In-depth study of 16CygB using inversion techniques

NASA Astrophysics Data System (ADS)

Buldgen, G.; Salmon, S. J. A. J.; Reese, D. R.; Dupret, M. A.

2016-12-01

Context. The 16Cyg binary system hosts the solar-like Kepler targets with the most stringent observational constraints. Indeed, we benefit from very high quality oscillation spectra, as well as spectroscopic and interferometric observations. Moreover, this system is particularly interesting since both stars are very similar in mass but the A component is orbited by a red dwarf, whereas the B component is orbited by a Jovian planet and thus could have formed a more complex planetary system. In our previous study, we showed that seismic inversions of integrated quantities could be used to constrain microscopic diffusion in the A component. In this study, we analyse the B component in the light of a more regularised inversion. Aims: We wish to analyse independently the B component of the 16Cyg binary system using the inversion of an indicator dedicated to analyse core conditions, denoted tu. Using this independent determination, we wish to analyse any differences between both stars due to the potential influence of planetary formation on stellar structure and/or their respective evolution. Methods: First, we recall the observational constraints for 16CygB and the method we used to generate reference stellar models of this star. We then describe how we improved the inversion and how this approach could be used for future targets with a sufficient number of observed frequencies. The inversion results were then used to analyse the differences between the A and B components. Results: The inversion of the tu indicator for 16CygB shows a disagreement with models including microscopic diffusion and sharing the chemical composition previously derived for 16CygA. We show that small changes in chemical composition are insufficient to solve the problem but that extra mixing can account for the differences seen between both stars. We use a parametric approach to analyse the impact of extra mixing in the form of turbulent diffusion on the behaviour of the tu values. We conclude on the necessity of further investigations using models with a physically motivated implementation of extra mixing processes including additional constraints to further improve the accuracy with which the fundamental parameters of this system are determined.

The composition effect on the thermal and optical properties across CdZnTe crystals

NASA Astrophysics Data System (ADS)

Strzałkowski, K.

2016-11-01

Cd1-x Zn x Te mixed crystals investigated in this work were grown from the melt using the vertical Bridgman-Stockbarger method in the whole range of composition 0  <  x  <  1 that is from one binary crystal (CdTe) to another (ZnTe). The real composition of grown crystals was measured with the SEM/EDS method along the growth axis. The segregation coefficient of Zn in a CdTe matrix has been evaluated as being close to unity. The energy gap as a function of the composition was determined from transmission spectroscopy. Thanks to that, the bowing parameter of this ternary alloy was found to be 0.458. In this work the systematical study of thermal properties of Cd1-x Zn x Te alloys from one binary crystal (CdTe) to another (ZnTe) grown by the vertical Bridgman technique were undertaken for the first time. The thermal diffusivity and effusivity of the investigated crystals were derived from the experimental data and allowed the thermal conductivity to be calculated. Diagrams of the thermal conductivity versus composition were analyzed applying the model for mixed semiconducting crystals given by Sadao Adachi. Thanks to that, the contribution of the thermal resistivity arising from the lattice disorder to the total resistivity of the crystal has been determined.

Lithium in a short-period tidally locked binary of M67: Implications for stellar evolution, Galactic Lithium evolution, and cosmology

NASA Technical Reports Server (NTRS)

Deliyannis, Constantine P.; King, Jeremy R.; Boesgaard, Ann M.; Ryan, Sean G.

1994-01-01

In open clusters, late-F stars exhibit a Li maximum (the Li 'peak' region) at lower abundance with age, which could be due either to stellar depletion or Galactic Li enrichment (or some other cause). We have observed a short-period tidally locked binary (SPTLB) on the Li peak region in the old cluster M67 to distinguish between alternatives. SPTLBs which synchronized in the early pre-main sequence would avoid the rotational mixing which, according to Yale models, may be responsible for depleting Li with age in open cluster dwarfs. We find that both components of the M67 SPTLB have a Li abundance lying about a factor of 2 or more above any other M67 single star and about a factor of 3 or more above the mean Li peak region abundance in M67. Our results suggest that the initial Li abundance in M67 is at least as high as approximately 3.0 = 12 + log (N(sub Li)/N(sub H)). Our high M67 SPTLB Li abundance and those in other clusters support the combination of Zahn's tidal circularization and the Yale rotational mixing theories and may indicate that the halo Li plateau (analogous to the cluster Li peak region) abundance has been depleted from a higher primordial value. Implications are discussed.

Phase equilibria of CFC alternative refrigerant mixtures: Binary systems of isobutane + 1,1,1,2-tetrafluoroethane, + 1,1-difluoroethane, and + difluoromethane

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

Lim, J.S.; Park, J.Y.; Lee, B.G.

1999-12-01

Isothermal vapor-liquid equilibria were measured in the binary systems 1,1,1,2-tetrafluoroethane + isobutane at 303.2 and 323.2 K, 1,1-difluoroethane + isobutane at 303.2, 313.2, 323.2, and 333.2 K, and difluoromethane + isobutane at 301.8 and 321.8 K in a circulation-type equilibrium apparatus. The experimental data were well correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rules.

Chopper-stabilized phase detector

NASA Technical Reports Server (NTRS)

Hopkins, P. M.

1978-01-01

Phase-detector circuit for binary-tracking loops and other binary-data acquisition systems minimizes effects of drift, gain imbalance, and voltage offset in detector circuitry. Input signal passes simultaneously through two channels where it is mixed with early and late codes that are alternately switched between channels. Code switching is synchronized with polarity switching of detector output of each channel so that each channel uses each detector for half time. Net result is that dc offset errors are canceled, and effect of gain imbalance is simply change in sensitivity.

Tidal evolution of close binary stars. I - Revisiting the theory of the equilibrium tide

NASA Technical Reports Server (NTRS)

Zahn, J.-P.

1989-01-01

The theory of the equilibrium tide in stars that possess a convective envelope is reexamined critically, taking recent developments into account and treating thermal convection in the most consistent way within the mixing-length approach. The weak points are identified and discussed, in particular, the reduction of the turbulent viscosity when the tidal period becomes shorter than the convective turnover time. An improved version is derived for the secular equations governing the dynamical evolution of close binaries of such type.

A Maximum Likelihood Approach to Functional Mapping of Longitudinal Binary Traits

PubMed Central

Wang, Chenguang; Li, Hongying; Wang, Zhong; Wang, Yaqun; Wang, Ningtao; Wang, Zuoheng; Wu, Rongling

2013-01-01

Despite their importance in biology and biomedicine, genetic mapping of binary traits that change over time has not been well explored. In this article, we develop a statistical model for mapping quantitative trait loci (QTLs) that govern longitudinal responses of binary traits. The model is constructed within the maximum likelihood framework by which the association between binary responses is modeled in terms of conditional log odds-ratios. With this parameterization, the maximum likelihood estimates (MLEs) of marginal mean parameters are robust to the misspecification of time dependence. We implement an iterative procedures to obtain the MLEs of QTL genotype-specific parameters that define longitudinal binary responses. The usefulness of the model was validated by analyzing a real example in rice. Simulation studies were performed to investigate the statistical properties of the model, showing that the model has power to identify and map specific QTLs responsible for the temporal pattern of binary traits. PMID:23183762

Reducing Dangerous Effects of Unsymmetrical Dimethyl Hydrazine as a Liquid Propellant by Addition of Hydroxyethylhydrazine, Part II, Performance with Several Oxidizers

NASA Astrophysics Data System (ADS)

Keshavarz, Mohammad Hossein; Ramadan, Alireza; Mousaviazar, Ali; Zali, Abbas; Shokrollahi, Arash

2011-07-01

This work continues the study of suitable binary liquid mixtures of unsymmetrical dimethylhydrazine (UDMH) and hydroxyethylhydrazine (HEH) to reduce the harmful effects of pure UDMH. The synthesized HEH was mixed with UDMH up to 40 wt% of HEH to study the performance and properties of binary liquid mixtures of UDMH/HEH. The existence of strong hydrogen bonding between HEH and UDMH provides low-volatile mixtures of these hydrazine derivatives. The addition of HEH significantly reduces the vapor pressure of UDMH, thus reducing the known UDMH health risk to inhalation exposure. Specific impulse was used to study performance of binary mixture UDMH/HEH with respect to pure UDMH. A binary mixture of UDMH/HEH reacts spontaneously in contact with nitrogen tetroxide, red fuming nitric acid (RFNA), and inhibited red fuming nitric acid (IRFNA).

Multisubstrate biodegradation kinetics of naphthalene, phenanthrene, and pyrene mixtures

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

Guha, S.; Peters, C.A.; Jaffe, P.R.

Biodegradation kinetics of naphthalene, phenanthrene and pyrene were studied in sole-substrate systems, and in binary and ternary mixtures to examine substrate interactions. The experiments were conducted in aerobic batch aqueous systems inoculated with a mixed culture that had been isolated from soils contaminated with polycyclic aromatic hydrocarbons (PAHs). Monod kinetic parameters and yield coefficients for the individual parameters and yield coefficients for the individual compounds were estimated from substrate depletion and CO{sub 2} evolution rate data in sole-substrate experiments. In all three binary mixture experiments, biodegradation kinetics were comparable to the sole-substrate kinetics. In the ternary mixture, biodegradation of naphthalenemore » was inhibited and the biodegradation rates of phenanthrene and pyrene were enhanced. A multisubstrate form of the Monod kinetic model was found to adequately predict substrate interactions in the binary and ternary mixtures using only the parameters derived from sole-substrate experiments. Numerical simulations of biomass growth kinetics explain the observed range of behaviors in PAH mixtures. In general, the biodegradation rates of the more degradable and abundant compounds are reduced due to competitive inhibition, but enhanced biodegradation of the more recalcitrant PAHs occurs due to simultaneous biomass growth on multiple substrates. In PAH-contaminated environments, substrate interactions may be very large due to additive effects from the large number of compounds present.« less

Preferential solvation of Brooker's merocyanine in binary solvent mixtures composed of formamides and hydroxylic solvents.

PubMed

Bevilaqua, Tharly; da Silva, Domingas C; Machado, Vanderlei G

2004-03-01

The ET polarity values of 4-[(1-methyl-4(1H)-pyridinylidene)-ethylidene]-2,5-cyclohexadien-1-one (Brooker's merocyanine) were collected in mixed-solvent systems comprising a formamide [N,N-dimethylformamide (DMF), N-methylformamide (NMF) or formamide (FA)] and a hydroxylic (water, methanol, ethanol, propan-2-ol or butan-1-ol) solvent. Binary mixtures involving DMF and the other formamides (NMF and FA) as well as NMF and FA were also studied. These data were employed in the investigation of the preferential solvation (PS) of the probe. Each solvent system was analyzed in terms of both solute-solvent and solvent-solvent interactions. These latter interactions were responsible for the synergism observed in many binary mixtures. This synergistic behaviour was observed for DMF-propan-2-ol, DMF-butan-1-ol, FA-methanol, FA-ethanol and for the mixtures of the alcohols with NMF. All data were successfully fitted to a model based on solvent-exchange equilibria, which allowed the separation of the different contributions of the solvent species in the solvation shell of the dye. The results suggest that both hydrogen bonding and solvophobic interactions contribute to the formation of the solvent complexes responsible for the observed synergistic effects in the PS of the dye.

Binary Population and Spectral Synthesis Version 2.1: Construction, Observational Verification, and New Results

NASA Astrophysics Data System (ADS)

Eldridge, J. J.; Stanway, E. R.; Xiao, L.; McClelland, L. A. S.; Taylor, G.; Ng, M.; Greis, S. M. L.; Bray, J. C.

2017-11-01

The Binary Population and Spectral Synthesis suite of binary stellar evolution models and synthetic stellar populations provides a framework for the physically motivated analysis of both the integrated light from distant stellar populations and the detailed properties of those nearby. We present a new version 2.1 data release of these models, detailing the methodology by which Binary Population and Spectral Synthesis incorporates binary mass transfer and its effect on stellar evolution pathways, as well as the construction of simple stellar populations. We demonstrate key tests of the latest Binary Population and Spectral Synthesis model suite demonstrating its ability to reproduce the colours and derived properties of resolved stellar populations, including well-constrained eclipsing binaries. We consider observational constraints on the ratio of massive star types and the distribution of stellar remnant masses. We describe the identification of supernova progenitors in our models, and demonstrate a good agreement to the properties of observed progenitors. We also test our models against photometric and spectroscopic observations of unresolved stellar populations, both in the local and distant Universe, finding that binary models provide a self-consistent explanation for observed galaxy properties across a broad redshift range. Finally, we carefully describe the limitations of our models, and areas where we expect to see significant improvement in future versions.

Evidence for terrigenic SF6 in groundwater from basaltic aquifers, Jeju Island, Korea: Implications for groundwater dating

USGS Publications Warehouse

Koh, Dong-Chan; Plummer, Niel; Busenberg, Eurybiades; Kim, Yongje

2007-01-01

Measurements of the concentrations of dichlorodifluoromethane (CFC-12), tritium (3H), and sulfur hexafluoride (SF6) in groundwater from basaltic aquifers in Jeju Island, Korea, demonstrate a terrigenic source of SF6. Using a lumped-parameter dispersion model, groundwater was identified as young water (<15 years), old water with negligible CFC-12 and 3H, and binary mixtures of the two. Model calculations using dispersion models and binary mixing based on 3H and CFC-12 concentrations demonstrate a non-atmospheric excess of SF6 relative to CFC-12 and 3H concentrations for more than half of the samples. The non-atmospheric excess SF6 may have originated from terrigenic sources in relict volcanic fluids, which could have acquired SF6 from granites and basement rocks of the island during volcanic activity. Local excess anthropogenic sources of SF6 are unlikely. The SF6 age is biased young relative to the CFC-12 age, typically up to 20 years and as high as 30 years. This age bias is more pronounced in samples of groundwater older than 15 years. The presence of terrigenic SF6 can affect the entire dating range for groundwater in mixtures that contain a fraction of old water.

Plasma transport in an Eulerian AMR code

DOE PAGES

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; ...

2017-04-04

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions tomore » flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.« less

Plasma transport in an Eulerian AMR code

NASA Astrophysics Data System (ADS)

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; Molvig, K.; Simakov, A. N.; Haines, B. M.

2017-04-01

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions to flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.

Balloon borne Antarctic frost point measurements and their impact on polar stratospheric cloud theories

NASA Technical Reports Server (NTRS)

Rosen, James M.; Hofmann, D. J.; Carpenter, J. R.; Harder, J. W.; Oltsmans, S. J.

1988-01-01

Balloon-borne frost point measurements were performed over Antarctica during September-October 1987 as part of the NOZE II effort at McMurdo. The results show water mixing ratios on the order of 2 ppmv in the 20 km region, suggesting that models of the springtime Antarctic stratosphere should be based on approximately 2 ppmv water vapor. Evidence indicating that some PSCs form at temperatures higher than the frost point in the 15 to 20 km region is discussed. This supports the binary HNO3-H2O theory of PSC composition.

Wave computation on the Poincaré dodecahedral space

NASA Astrophysics Data System (ADS)

Bachelot-Motet, Agnès

2013-12-01

We compute the waves propagating on a compact 3-manifold of constant positive curvature with a non-trivial topology: the Poincaré dodecahedral space that is a plausible model of multi-connected universe. We transform the Cauchy problem to a mixed problem posed on a fundamental domain determined by the quaternionic calculus. We adopt a variational approach using a space of finite elements that is invariant under the action of the binary icosahedral group. The computation of the transient waves is validated with their spectral analysis by computing a lot of eigenvalues of the Laplace-Beltrami operator.

Estimation of deepwater temperature and hydrogeochemistry of springs in the Takab geothermal field, West Azerbaijan, Iran.

PubMed

Sharifi, Reza; Moore, Farid; Mohammadi, Zargham; Keshavarzi, Behnam

2016-01-01

Chemical analyses of water samples from 19 hot and cold springs are used to characterize Takab geothermal field, west of Iran. The springs are divided into two main groups based on temperature, host rock, total dissolved solids (TDS), and major and minor elements. TDS, electrical conductivity (EC), Cl(-), and SO4 (2-) concentrations of hot springs are all higher than in cold springs. Higher TDS in hot springs probably reflect longer circulation and residence time. The high Si, B, and Sr contents in thermal waters are probably the result of extended water-rock interaction and reflect flow paths and residence time. Binary, ternary, and Giggenbach diagrams were used to understand the deeper mixing conditions and locations of springs in the model system. It is believed that the springs are heated either by mixing of deep geothermal fluid with cold groundwater or low conductive heat flow. Mixing ratios are evaluated using Cl, Na, and B concentrations and a mass balance approach. Calculated quartz and chalcedony geothermometer give lower reservoir temperatures than cation geothermometers. The silica-enthalpy mixing model predicts a subsurface reservoir temperature between 62 and 90 °C. The δ(18)O and δD (δ(2)H) are used to trace and determine the origin and movement of water. Both hot and cold waters plot close to the local meteoric line, indicating local meteoric origin.

DISTINGUISHING COMPACT BINARY POPULATION SYNTHESIS MODELS USING GRAVITATIONAL WAVE OBSERVATIONS OF COALESCING BINARY BLACK HOLES

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

Stevenson, Simon; Ohme, Frank; Fairhurst, Stephen, E-mail: simon.stevenson@ligo.org

2015-09-01

The coalescence of compact binaries containing neutron stars or black holes is one of the most promising signals for advanced ground-based laser interferometer gravitational-wave (GW) detectors, with the first direct detections expected over the next few years. The rate of binary coalescences and the distribution of component masses is highly uncertain, and population synthesis models predict a wide range of plausible values. Poorly constrained parameters in population synthesis models correspond to poorly understood astrophysics at various stages in the evolution of massive binary stars, the progenitors of binary neutron star and binary black hole systems. These include effects such asmore » supernova kick velocities, parameters governing the energetics of common envelope evolution and the strength of stellar winds. Observing multiple binary black hole systems through GWs will allow us to infer details of the astrophysical mechanisms that lead to their formation. Here we simulate GW observations from a series of population synthesis models including the effects of known selection biases, measurement errors and cosmology. We compare the predictions arising from different models and show that we will be able to distinguish between them with observations (or the lack of them) from the early runs of the advanced LIGO and Virgo detectors. This will allow us to narrow down the large parameter space for binary evolution models.« less

General-relativistic Large-eddy Simulations of Binary Neutron Star Mergers

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

Radice, David, E-mail: dradice@astro.princeton.edu

The flow inside remnants of binary neutron star (NS) mergers is expected to be turbulent, because of magnetohydrodynamics instability activated at scales too small to be resolved in simulations. To study the large-scale impact of these instabilities, we develop a new formalism, based on the large-eddy simulation technique, for the modeling of subgrid-scale turbulent transport in general relativity. We apply it, for the first time, to the simulation of the late-inspiral and merger of two NSs. We find that turbulence can significantly affect the structure and survival time of the merger remnant, as well as its gravitational-wave (GW) and neutrinomore » emissions. The former will be relevant for GW observation of merging NSs. The latter will affect the composition of the outflow driven by the merger and might influence its nucleosynthetic yields. The accretion rate after black hole formation is also affected. Nevertheless, we find that, for the most likely values of the turbulence mixing efficiency, these effects are relatively small and the GW signal will be affected only weakly by the turbulence. Thus, our simulations provide a first validation of all existing post-merger GW models.« less

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

Stagg, Alan K; Yoon, Su-Jong

This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 Milestone THM.CFD.P11.02: Hydra-TH Extensions for Multispecies and Thermosolutal Convection. A critical requirement for modeling reactor thermal hydraulics is to account for species transport within the fluid. In particular, this capability is needed for modeling transport and diffusion of boric acid within water for emergency, reactivity-control scenarios. To support this need, a species transport capability has been implemented in Hydra-TH for binary systems (for example, solute within a solvent). A species transport equation is solved formore » the species (solute) mass fraction, and both thermal and solutal buoyancy effects are handled with specification of a Boussinesq body force. Species boundary conditions can be specified with a Dirichlet condition on mass fraction or a Neumann condition on diffusion flux. To enable enhanced species/fluid mixing in turbulent flow, the molecular diffusivity for the binary system is augmented with a turbulent diffusivity in the species transport calculation. The new capabilities are demonstrated by comparison of Hydra-TH calculations to the analytic solution for a thermosolutal convection problem, and excellent agreement is obtained.« less

Beyond the Binary: Dexterous Teaching and Knowing in Mathematics Education

ERIC Educational Resources Information Center

Adam, Raoul; Chigeza, Philemon

2015-01-01

This paper identifies binary oppositions in the discourse of mathematics education and introduces a binary-epistemic model for (re)conceptualising these oppositions and the epistemic-pedagogic problems they represent. The model is attentive to the contextual relationships between pedagogically relevant binaries (e.g., traditional/progressive,…

Rheological characterizations of concentrated binary gum mixtures with xanthan gum and galactomannans.

PubMed

Jo, Wonjun; Bak, June Ha; Yoo, Byoungseung

2018-03-20

The steady and dynamic shear rheological properties of binary gum mixtures with xanthan gum (XG) and galactomannans (guar gum (GG) and locust bean gum (LBG)) were examined in a concentrated solution (1% w/w) as a function of gum mixing ratio (100/0, 75/25, 50/50, and 0/100). All samples, except for individual GG and LBG, showed high shear-thinning behavior with yield stress. The values of flow (K, η a,50 , and σ oc ) and dynamic rheological parameters (G' and G″) of XG-GG and XG-LBG mixtures were significantly higher compared to XG alone, indicating that the flow and viscoelastic properties of binary gum mixtures were greatly affected by the addition of GG and LBG. The maximum elasticity synergistic interaction for XG-galactomannans mixtures was observed at a mixing ratio of 50/50, showing a greatly positive deviation between measured and calculated values of G'. These results suggest that the synergistic effect of GG and LBG addition on rheological properties of XG appears to be due to intermolecular interaction occurred between XG and galactomannans, as confirmed by dynamic rheological properties. Copyright © 2018 Elsevier B.V. All rights reserved.

Refractive Index Mixing Rules and Excess Infrared Spectra of Binary Mixtures.

PubMed

Baranović, Goran

2017-05-01

Three refractive index mixing rules, Arago-Biot, Lorentz-Lorenz, and Newton, are generalized to complex refractive index and used to define infrared (IR) spectra of the corresponding ideal liquid mixtures. Using the measured optical constants n and k for acetonitrile-water mixtures (Bertie and Lan, 1997) the excess absorbances, A E  =  A obs  -  A ideal , are calculated. Relying upon the well-established properties of the acetonitrile-water mixtures, the interpretation of the excess absorbances is established that is essentially based on the understanding of a liquid as a set of oscillators. The set depends on the composition of the mixture and comprises oscillators as present in the pure components and oscillators perturbed by hydrogen bonding between unlike molecules. The main features of an excess spectrum can be established assuming chemical equilibria among various oscillators. The most informative parts of the spectrum of a yet unstudied binary system can well be observed and even qualitatively explained from the excess absorbance provided: first, a detailed vibrational study of the components has been done; and, second, it is well understood what actually is subtracted from A obs . As examples, the binary mixtures of ethynylbenzene and tetrachloroethylene and 2-ethynylpyridine and tetrachloroethylene are considered.

On the frequency of close binary systems among very low-mass stars and brown dwarfs

NASA Astrophysics Data System (ADS)

Maxted, P. F. L.; Jeffries, R. D.

2005-09-01

We have used Monte Carlo simulation techniques and published radial velocity surveys to constrain the frequency of very low-mass star (VLMS) and brown dwarf (BD) binary systems and their separation (a) distribution. Gaussian models for the separation distribution with a peak at a= 4au and 0.6 <=σlog(a/au)<= 1.0, correctly predict the number of observed binaries, yielding a close (a < 2.6au) binary frequency of 17-30 per cent and an overall VLMS/BD binary frequency of 32-45 per cent. We find that the available N-body models of VLMS/BD formation from dynamically decaying protostellar multiple systems are excluded at >99 per cent confidence because they predict too few close binary VLMS/BDs. The large number of close binaries and high overall binary frequency are also very inconsistent with recent smoothed particle hydrodynamical modelling and argue against a dynamical origin for VLMS/BDs.

A unifying framework for marginalized random intercept models of correlated binary outcomes

PubMed Central

Swihart, Bruce J.; Caffo, Brian S.; Crainiceanu, Ciprian M.

2013-01-01

We demonstrate that many current approaches for marginal modeling of correlated binary outcomes produce likelihoods that are equivalent to the copula-based models herein. These general copula models of underlying latent threshold random variables yield likelihood-based models for marginal fixed effects estimation and interpretation in the analysis of correlated binary data with exchangeable correlation structures. Moreover, we propose a nomenclature and set of model relationships that substantially elucidates the complex area of marginalized random intercept models for binary data. A diverse collection of didactic mathematical and numerical examples are given to illustrate concepts. PMID:25342871

Chloride and bromide sources in water: Quantitative model use and uncertainty

NASA Astrophysics Data System (ADS)

Horner, Kyle N.; Short, Michael A.; McPhail, D. C.

2017-06-01

Dissolved chloride is a commonly used geochemical tracer in hydrological studies. Assumptions underlying many chloride-based tracer methods do not hold where processes such as halide-bearing mineral dissolution, fluid mixing, or diffusion modify dissolved Cl- concentrations. Failure to identify, quantify, or correct such processes can introduce significant uncertainty to chloride-based tracer calculations. Mass balance or isotopic techniques offer a means to address this uncertainty, however, concurrent evaporation or transpiration can complicate corrections. In this study Cl/Br ratios are used to derive equations that can be used to correct a solution's total dissolved Cl- and Br- concentration for inputs from mineral dissolution and/or binary mixing. We demonstrate the equations' applicability to waters modified by evapotranspiration. The equations can be used to quickly determine the maximum proportion of dissolved Cl- and Br- from each end-member, providing no halide-bearing minerals have precipitated and the Cl/Br ratio of each end member is known. This allows rapid evaluation of halite dissolution or binary mixing contributions to total dissolved Cl- and Br-. Equation sensitivity to heterogeneity and analytical uncertainty is demonstrated through bench-top experiments simulating halite dissolution and variable degrees of evapotranspiration, as commonly occur in arid environments. The predictions agree with the experimental results to within 6% and typically much less, with the sensitivity of the predicted results varying as a function of end-member compositions and analytical uncertainty. Finally, we present a case-study illustrating how the equations presented here can be used to quantify Cl- and Br- sources and sinks in surface water and groundwater and how the equations can be applied to constrain uncertainty in chloride-based tracer calculations.

Observation of the black widow B1957+20 millisecond pulsar binary system with the MAGIC telescopes

NASA Astrophysics Data System (ADS)

Ahnen, M. L.; Ansoldi, S.; Antonelli, L. A.; Arcaro, C.; Babić, A.; Banerjee, B.; Bangale, P.; Barres de Almeida, U.; Barrio, J. A.; Becerra González, J.; Bednarek, W.; Bernardini, E.; Berti, A.; Biasuzzi, B.; Biland, A.; Blanch, O.; Bonnefoy, S.; Bonnoli, G.; Borracci, F.; Bretz, T.; Carosi, R.; Carosi, A.; Chatterjee, A.; Colin, P.; Colombo, E.; Contreras, J. L.; Cortina, J.; Covino, S.; Cumani, P.; da Vela, P.; Dazzi, F.; de Angelis, A.; de Lotto, B.; De Oña Wilhelmi, E.; Di Pierro, F.; Doert, M.; Domínguez, A.; Dominis Prester, D.; Dorner, D.; Doro, M.; Einecke, S.; Eisenacher Glawion, D.; Elsaesser, D.; Engelkemeier, M.; Fallah Ramazani, V.; Fernández-Barral, A.; Fidalgo, D.; Fonseca, M. V.; Font, L.; Fruck, C.; Galindo, D.; García López, R. J.; Garczarczyk, M.; Gaug, M.; Giammaria, P.; Godinović, N.; Gora, D.; Gozzini, S. R.; Griffiths, S.; Guberman, D.; Hadasch, D.; Hahn, A.; Hassan, T.; Hayashida, M.; Herrera, J.; Hose, J.; Hrupec, D.; Hughes, G.; Ishio, K.; Konno, Y.; Kubo, H.; Kushida, J.; Kuveždić, D.; Lelas, D.; Lindfors, E.; Lombardi, S.; Longo, F.; López, M.; Majumdar, P.; Makariev, M.; Maneva, G.; Manganaro, M.; Mannheim, K.; Maraschi, L.; Mariotti, M.; Martínez, M.; Mazin, D.; Menzel, U.; Mirzoyan, R.; Moralejo, A.; Moreno, V.; Moretti, E.; Neustroev, V.; Niedzwiecki, A.; Nievas Rosillo, M.; Nilsson, K.; Nishijima, K.; Noda, K.; Nogués, L.; Paiano, S.; Palacio, J.; Paneque, D.; Paoletti, R.; Paredes, J. M.; Paredes-Fortuny, X.; Pedaletti, G.; Peresano, M.; Perri, L.; Persic, M.; Poutanen, J.; Prada Moroni, P. G.; Prandini, E.; Puljak, I.; Garcia, J. R.; Reichardt, I.; Rhode, W.; Ribó, M.; Rico, J.; Saito, T.; Satalecka, K.; Schroeder, S.; Schweizer, T.; Sillanpää, A.; Sitarek, J.; Šnidarić, I.; Sobczynska, D.; Stamerra, A.; Strzys, M.; Surić, T.; Takalo, L.; Tavecchio, F.; Temnikov, P.; Terzić, T.; Tescaro, D.; Teshima, M.; Torres, D. F.; Torres-Albà, N.; Treves, A.; Vanzo, G.; Vazquez Acosta, M.; Vovk, I.; Ward, J. E.; Will, M.; Wu, M. H.; Zarić, D.; MAGIC Collaboration; Cognard, I.; Guillemot, L.

2017-10-01

B1957+20 is a millisecond pulsar located in a black-widow-type compact binary system with a low-mass stellar companion. The interaction of the pulsar wind with the companion star wind and/or the interstellar plasma is expected to create plausible conditions for acceleration of electrons to TeV energies and subsequent production of very high-energy γ-rays in the inverse Compton process. We performed extensive observations with the Major Atmospheric Gamma Imaging Cherenkov Telescopes (MAGIC) telescopes of B1957+20. We interpret results in the framework of a few different models, namely emission from the vicinity of the millisecond pulsar, the interaction of the pulsar and stellar companion wind region or bow shock nebula. No significant steady very high-energy γ-ray emission was found. We derived a 95 per cent confidence level upper limit of 3.0 × 10-12 cm-2 s-1 on the average γ-ray emission from the binary system above 200 GeV. The upper limits obtained with the MAGIC constrain, for the first time, different models of the high-energy emission in B1957+20. In particular, in the inner mixed wind nebula model with mono-energetic injection of electrons, the acceleration efficiency of electrons is constrained to be below ˜2-10 per cent of the pulsar spin-down power. For the pulsar emission, the obtained upper limits for each emission peak are well above the exponential cut-off fits to the Fermi-LAT data, extrapolated to energies above 50 GeV. The MAGIC upper limits can rule out a simple power-law tail extension through the sub-TeV energy range for the main peak seen at radio frequencies.

Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC

PubMed Central

2017-01-01

We have calculated the excess free energy of mixing of 1053 binary mixtures with the OPLS-AA force field using two different methods: thermodynamic integration (TI) of molecular dynamics simulations and the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) method. PAC-MAC is a force field based quasi-chemical method for predicting miscibility properties of various binary mixtures. The TI calculations yield a root mean squared error (RMSE) compared to experimental data of 0.132 kBT (0.37 kJ/mol). PAC-MAC shows a RMSE of 0.151 kBT with a calculation speed being potentially 1.0 × 104 times greater than TI. OPLS-AA force field parameters are optimized using PAC-MAC based on vapor–liquid equilibrium data, instead of enthalpies of vaporization or densities. The RMSE of PAC-MAC is reduced to 0.099 kBT by optimizing 50 force field parameters. The resulting OPLS-PM force field has a comparable accuracy as the OPLS-AA force field in the calculation of mixing free energies using TI. PMID:28418655

Transport properties of gases and binary liquids near the critical point

NASA Technical Reports Server (NTRS)

Sengers, J. V.

1972-01-01

A status report is presented on the anomalies observed in the behavior of transport properties near the critical point of gases and binary liquids. The shear viscosity exhibits a weak singularity near the critical point. An analysis is made of the experimental data for those transport properties, thermal conductivity and thermal diffusivity near the gas-liquid critical point and binary diffusion coefficient near the critical mixing point, that determine the critical slowing down of the thermodynamic fluctuations in the order parameter. The asymptotic behavior of the thermal conductivity appears to be closely related to the asymptotic behavior of the correlation length. The experimental data for the thermal conductivity and diffusivity are shown to be in substantial agreement with current theoretical predictions.

Quantitative measurement of indomethacin crystallinity in indomethacin-silica gel binary system using differential scanning calorimetry and X-ray powder diffractometry.

PubMed

Pan, Xiaohong; Julian, Thomas; Augsburger, Larry

2006-02-10

Differential scanning calorimetry (DSC) and X-ray powder diffractometry (XRPD) methods were developed for the quantitative analysis of the crystallinity of indomethacin (IMC) in IMC and silica gel (SG) binary system. The DSC calibration curve exhibited better linearity than that of XRPD. No phase transformation occurred in the IMC-SG mixtures during DSC measurement. The major sources of error in DSC measurements were inhomogeneous mixing and sampling. Analyzing the amount of IMC in the mixtures using high-performance liquid chromatography (HPLC) could reduce the sampling error. DSC demonstrated greater sensitivity and had less variation in measurement than XRPD in quantifying crystalline IMC in the IMC-SG binary system.

Mapping the Mixed Methods–Mixed Research Synthesis Terrain

PubMed Central

Sandelowski, Margarete; Voils, Corrine I.; Leeman, Jennifer; Crandell, Jamie L.

2012-01-01

Mixed methods–mixed research synthesis is a form of systematic review in which the findings of qualitative and quantitative studies are integrated via qualitative and/or quantitative methods. Although methodological advances have been made, efforts to differentiate research synthesis methods have been too focused on methods and not focused enough on the defining logics of research synthesis—each of which may be operationalized in different ways—or on the research findings themselves that are targeted for synthesis. The conduct of mixed methods–mixed research synthesis studies may more usefully be understood in terms of the logics of aggregation and configuration. Neither logic is preferable to the other nor tied exclusively to any one method or to any one side of the qualitative/quantitative binary. PMID:23066379

Quantitative decoding of the response a ceramic mixed potential sensor array for engine emissions control and diagnostics

DOE PAGES

Tsui, Lok-kun; Benavidez, Angelica; Palanisamy, Ponnusamy; ...

2017-04-13

The development of on-board sensors for emissions monitoring is necessary for continuous monitoring of the performance of catalytic systems in automobiles. We have fabricated mixed potential electrochemical gas sensing devices with Pt, La 0.8Sr 0.2CrO 3 (LSCO), and Au/Pd alloy electrodes and a porous yttria-stabilized zirconia electrolyte. The three-electrode design takes advantage of the preferential selectivity of the Pt + Au/Pd and Pt + LSCO pairs towards different species of gases and has additional tunable selectivity achieved by applying a current bias to the latter pair. Voltages were recorded in single, binary, and ternary gas streams of NO, NO 2,more » C 3H 8, and CO. We have also trained artificial neural networks to examine the voltage output from sensors in biased and unbiased modes to both identify which single test gas or binary mixture of two test gases is present in a gas stream as well as extract concentration values. We were then able to identify single and binary mixtures of these gases with accuracy of at least 98%. For determining concentration, the peak in the error distribution for binary mixtures was 5% and 80% of test data fell under <12% error. The sensor stability was also evaluated over the course of over 100 days and the ability to retrain ANNs with a small dataset was demonstrated.« less

Quantitative decoding of the response a ceramic mixed potential sensor array for engine emissions control and diagnostics

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

Tsui, Lok-kun; Benavidez, Angelica; Palanisamy, Ponnusamy

The development of on-board sensors for emissions monitoring is necessary for continuous monitoring of the performance of catalytic systems in automobiles. We have fabricated mixed potential electrochemical gas sensing devices with Pt, La 0.8Sr 0.2CrO 3 (LSCO), and Au/Pd alloy electrodes and a porous yttria-stabilized zirconia electrolyte. The three-electrode design takes advantage of the preferential selectivity of the Pt + Au/Pd and Pt + LSCO pairs towards different species of gases and has additional tunable selectivity achieved by applying a current bias to the latter pair. Voltages were recorded in single, binary, and ternary gas streams of NO, NO 2,more » C 3H 8, and CO. We have also trained artificial neural networks to examine the voltage output from sensors in biased and unbiased modes to both identify which single test gas or binary mixture of two test gases is present in a gas stream as well as extract concentration values. We were then able to identify single and binary mixtures of these gases with accuracy of at least 98%. For determining concentration, the peak in the error distribution for binary mixtures was 5% and 80% of test data fell under <12% error. The sensor stability was also evaluated over the course of over 100 days and the ability to retrain ANNs with a small dataset was demonstrated.« less

Dielectric Studies on Binary Mixtures of Diethyl Ether (DEE) in Polar Solvents

NASA Astrophysics Data System (ADS)

Pradhan, S. K.; Dash, S. K.; Swain, M. D.; Swain, B. B.

2011-11-01

Dielectric constant (ɛ) of diethylether (DEE) in binary mixtures with four polar solvents such as n-butanl, i-butanol, t-butanol and tolune has been measured at 455 kHz and at a temperature 303.15 K. The refractive indices were measured at a regulated temperature by Pulfrich refractometer at sodium D-line. The data is used to evaluate mutual correlation factor gab, excess molar polarization and excess free energy of mixing ΔGab by using Winkelmann-Quitzsch equation for binary mixtures to asses the suitability of the polar solvents as modifiers. The trend of variation for these parameters exhibit marked dependence on the nature of alcohols. Diethylether is one of the solvent extractant used for the extraction and separation of zirconium and hafnium in reactor technology. The extractant is blended with appropriate polar modifiers for greater dispersal and more rapid phase disengagement. This facilitates in the elimination of the third organo-aqueous phase containing some of the metal ions. As such the study of molecular interaction among the component molecules has been undertaken in these binary mixtures using the dielectric route. The interaction parameters such as mutual correlation factor gab is found to be less than one in all alcohols, while it is negative in toluene upto 0.7 DEE molefraction and thereafter becoming positive. The nature of variation of the excess miolar polarization ΔP and excess free energy of mixing Gab tends to support the assessment of gab to choose a suitable polar modifier.

Kelvin-Helmholtz instabilities as the source of inhomogeneous mixing in nova explosions.

PubMed

Casanova, Jordi; José, Jordi; García-Berro, Enrique; Shore, Steven N; Calder, Alan C

2011-10-19

Classical novae are thermonuclear explosions in binary stellar systems containing a white dwarf accreting material from a close companion star. They repeatedly eject 10(-4)-10(-5) solar masses of nucleosynthetically enriched gas into the interstellar medium, recurring on intervals of decades to tens of millennia. They are probably the main sources of Galactic (15)N, (17)O and (13)C. The origin of the large enhancements and inhomogeneous distribution of these species observed in high-resolution spectra of ejected nova shells has, however, remained unexplained for almost half a century. Several mechanisms, including mixing by diffusion, shear or resonant gravity waves, have been proposed in the framework of one-dimensional or two-dimensional simulations, but none has hitherto proven successful because convective mixing can only be modelled accurately in three dimensions. Here we report the results of a three-dimensional nuclear-hydrodynamic simulation of mixing at the core-envelope interface during nova outbursts. We show that buoyant fingering drives vortices from the Kelvin-Helmholtz instability, which inevitably enriches the accreted envelope with material from the outer white-dwarf core. Such mixing also naturally produces large-scale chemical inhomogeneities. Both the metallicity enhancement and the intrinsic dispersions in the abundances are consistent with the observed values.

Matching asteroid population characteristics with a model constructed from the YORP-induced rotational fission hypothesis

NASA Astrophysics Data System (ADS)

Jacobson, Seth A.; Marzari, Francesco; Rossi, Alessandro; Scheeres, Daniel J.

2016-10-01

From the results of a comprehensive asteroid population evolution model, we conclude that the YORP-induced rotational fission hypothesis is consistent with the observed population statistics of small asteroids in the main belt including binaries and contact binaries. These conclusions rest on the asteroid rotation model of Marzari et al. ([2011]Icarus, 214, 622-631), which incorporates both the YORP effect and collisional evolution. This work adds to that model the rotational fission hypothesis, described in detail within, and the binary evolution model of Jacobson et al. ([2011a] Icarus, 214, 161-178) and Jacobson et al. ([2011b] The Astrophysical Journal Letters, 736, L19). Our complete asteroid population evolution model is highly constrained by these and other previous works, and therefore it has only two significant free parameters: the ratio of low to high mass ratio binaries formed after rotational fission events and the mean strength of the binary YORP (BYORP) effect. We successfully reproduce characteristic statistics of the small asteroid population: the binary fraction, the fast binary fraction, steady-state mass ratio fraction and the contact binary fraction. We find that in order for the model to best match observations, rotational fission produces high mass ratio (> 0.2) binary components with four to eight times the frequency as low mass ratio (<0.2) components, where the mass ratio is the mass of the secondary component divided by the mass of the primary component. This is consistent with post-rotational fission binary system mass ratio being drawn from either a flat or a positive and shallow distribution, since the high mass ratio bin is four times the size of the low mass ratio bin; this is in contrast to the observed steady-state binary mass ratio, which has a negative and steep distribution. This can be understood in the context of the BYORP-tidal equilibrium hypothesis, which predicts that low mass ratio binaries survive for a significantly longer period of time than high mass ratio systems. We also find that the mean of the log-normal BYORP coefficient distribution μB ≳10-2 , which is consistent with estimates from shape modeling (McMahon and Scheeres, 2012a).

Viscosities of Fe Ni, Fe Co and Ni Co binary melts

NASA Astrophysics Data System (ADS)

Sato, Yuzuru; Sugisawa, Koji; Aoki, Daisuke; Yamamura, Tsutomu

2005-02-01

Viscosities of three binary molten alloys consisting of the iron group elements, Fe, Ni and Co, have been measured by using an oscillating cup viscometer over the entire composition range from liquidus temperatures up to 1600 °C with high precision and excellent reproducibility. The viscosities measured showed good Arrhenius linearity for all the compositions. The viscosities of Fe, Ni and Co as a function of temperature are as follows: \\eqalign{ & \\log \\eta={-}0.6074 + 2493/T\\qquad for\\quad Fe\\\\ & \\log \\eta={-}0.5695 + 2157/T\\qquad for\\quad Ni \\\\ & \\log \\eta={-}0.6620 + 2430/T\\qquad for\\quad Co.} The isothermal viscosities of Fe-Ni and Fe-Co binary melts increase monotonically with increasing Fe content. On the other hand, in Ni-Co binary melt, the isothermal viscosity decreases slightly and then increases with increasing Co. The activation energy of Fe-Co binary melt increased slightly on mixing, and those of Fe-Ni and Ni-Co melts decreased monotonically with increasing Ni content. The above behaviour is discussed based on the thermodynamic properties of the alloys.

Experimental study on thermal storage performance of binary mixtures of fatty acids

NASA Astrophysics Data System (ADS)

Yan, Quanying; Zhang, Jing; Liu, Chao; Liu, Sha; Sun, Xiangyu

2018-02-01

We selected five kinds of fatty acids including the capric acid, stearic acid, lauric acid, palmitic acid and myristic acid and mixed them to prepare10 kinds of binary mixtures of fatty acids according to the predetermined proportion,tested the phase change temperature and latent heat of mixtures by differential scanning calorimetry(DSC). In order to find the fatty acid mixture which has suitable phase change temperature, the larger phase change latent heat and can be used for phase change wall. The results showed that the phase change temperature and latent heats of the binary mixtures of fatty acids decreased compared with the single component;The phase change temperature of the binary mixtures of fatty acids containing capric acid were lower, the range was roughly 20∼30°C,and latent heat is large,which are ideal phase change materials for phase change wall energy storage;The phase change temperature of the binary mixtures consisting of other fatty acids were still high,didn’t meet the temperature requirements of the wall energy storage.

Mixed ternary heterojunction solar cell

DOEpatents

Chen, Wen S.; Stewart, John M.

1992-08-25

A thin film heterojunction solar cell and a method of making it has a p-type layer of mixed ternary I-III-VI.sub.2 semiconductor material in contact with an n-type layer of mixed binary II-VI semiconductor material. The p-type semiconductor material includes a low resistivity copper-rich region adjacent the back metal contact of the cell and a composition gradient providing a minority carrier mirror that improves the photovoltaic performance of the cell. The p-type semiconductor material preferably is CuInGaSe.sub.2 or CuIn(SSe).sub.2.

Binaries in Transneptunian Resonances: Evidence for Slow Migration of Neptune?

NASA Technical Reports Server (NTRS)

Noll, Keith

2012-01-01

A distinguishing feature of trans neptunian objects (TNO) is the high fraction that arc binary. This is particularly true for the Cold Classicals (CC), objects in lowe and low i orbits concentrated between the 3:2 and 2: 1 mean-motion resonances. CCs have other physical markers: red colors, high albedos, and equal-mass binaries. The CCs appear to be a coherent and physically distinct population of planetesimals that has survived to the present with their physical properties relatively unaltered. Their spatial concentration between 39.4 and 47.7 AU has made identification of the CCs as a physical group possible. However, objects that started out as CCs arc almost certainly 1101 limited to this one dynamical niche. We can, therefore, use the measurable physical properties of CCs as tracers of Neptune-driven dynamical mixing in the Kuiper Belt. As Neptune migrated, its mean-motion resonances preceded it into the planetesimal disk. The efficiency of capture into mean motion resonances depends on the smoothness of Neptune's migration and the local population available to be captured. The two strongest resonances, the 3:2 at 39.4 AU and 2: 1 at 47.7 AU, straddle the core repository of the physically distinct CCs, providing a unique opportunity to test the details of Neptune's migration. Smooth migration should result in a measurable difference between the 3:2 and 2:1 with low inclination 2:1s having a red, binary population mirroring that of the CC itself while the 3:2 will be less contaminated. Alternative models with rapid migration would generate a more homogeneous result.

Empirical evidence about inconsistency among studies in a pair-wise meta-analysis.

PubMed

Rhodes, Kirsty M; Turner, Rebecca M; Higgins, Julian P T

2016-12-01

This paper investigates how inconsistency (as measured by the I 2 statistic) among studies in a meta-analysis may differ, according to the type of outcome data and effect measure. We used hierarchical models to analyse data from 3873 binary, 5132 continuous and 880 mixed outcome meta-analyses within the Cochrane Database of Systematic Reviews. Predictive distributions for inconsistency expected in future meta-analyses were obtained, which can inform priors for between-study variance. Inconsistency estimates were highest on average for binary outcome meta-analyses of risk differences and continuous outcome meta-analyses. For a planned binary outcome meta-analysis in a general research setting, the predictive distribution for inconsistency among log odds ratios had median 22% and 95% CI: 12% to 39%. For a continuous outcome meta-analysis, the predictive distribution for inconsistency among standardized mean differences had median 40% and 95% CI: 15% to 73%. Levels of inconsistency were similar for binary data measured by log odds ratios and log relative risks. Fitted distributions for inconsistency expected in continuous outcome meta-analyses using mean differences were almost identical to those using standardized mean differences. The empirical evidence on inconsistency gives guidance on which outcome measures are most likely to be consistent in particular circumstances and facilitates Bayesian meta-analysis with an informative prior for heterogeneity. © 2015 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd. © 2015 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd. © 2015 The Authors. Research Synthesis Methods published by John Wiley & Sons, Ltd.

Analysis of the statistical thermodynamic model for nonlinear binary protein adsorption equilibria.

PubMed

Zhou, Xiao-Peng; Su, Xue-Li; Sun, Yan

2007-01-01

The statistical thermodynamic (ST) model was used to study nonlinear binary protein adsorption equilibria on an anion exchanger. Single-component and binary protein adsorption isotherms of bovine hemoglobin (Hb) and bovine serum albumin (BSA) on DEAE Spherodex M were determined by batch adsorption experiments in 10 mM Tris-HCl buffer containing a specific NaCl concentration (0.05, 0.10, and 0.15 M) at pH 7.40. The ST model was found to depict the effect of ionic strength on the single-component equilibria well, with model parameters depending on ionic strength. Moreover, the ST model gave acceptable fitting to the binary adsorption data with the fitted single-component model parameters, leading to the estimation of the binary ST model parameter. The effects of ionic strength on the model parameters are reasonably interpreted by the electrostatic and thermodynamic theories. The effective charge of protein in adsorption phase can be separately calculated from the two categories of the model parameters, and the values obtained from the two methods are consistent. The results demonstrate the utility of the ST model for describing nonlinear binary protein adsorption equilibria.

Sythesis of MCMC and Belief Propagation

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

Ahn, Sungsoo; Chertkov, Michael; Shin, Jinwoo

Markov Chain Monte Carlo (MCMC) and Belief Propagation (BP) are the most popular algorithms for computational inference in Graphical Models (GM). In principle, MCMC is an exact probabilistic method which, however, often suffers from exponentially slow mixing. In contrast, BP is a deterministic method, which is typically fast, empirically very successful, however in general lacking control of accuracy over loopy graphs. In this paper, we introduce MCMC algorithms correcting the approximation error of BP, i.e., we provide a way to compensate for BP errors via a consecutive BP-aware MCMC. Our framework is based on the Loop Calculus (LC) approach whichmore » allows to express the BP error as a sum of weighted generalized loops. Although the full series is computationally intractable, it is known that a truncated series, summing up all 2-regular loops, is computable in polynomial-time for planar pair-wise binary GMs and it also provides a highly accurate approximation empirically. Motivated by this, we first propose a polynomial-time approximation MCMC scheme for the truncated series of general (non-planar) pair-wise binary models. Our main idea here is to use the Worm algorithm, known to provide fast mixing in other (related) problems, and then design an appropriate rejection scheme to sample 2-regular loops. Furthermore, we also design an efficient rejection-free MCMC scheme for approximating the full series. The main novelty underlying our design is in utilizing the concept of cycle basis, which provides an efficient decomposition of the generalized loops. In essence, the proposed MCMC schemes run on transformed GM built upon the non-trivial BP solution, and our experiments show that this synthesis of BP and MCMC outperforms both direct MCMC and bare BP schemes.« less

Galaxy Rotation and Rapid Supermassive Binary Coalescence

NASA Astrophysics Data System (ADS)

Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood

2015-09-01

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolution in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy.

GALAXY ROTATION AND RAPID SUPERMASSIVE BINARY COALESCENCE

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

Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood, E-mail: k.holley@vanderbilt.edu

2015-09-10

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolutionmore » in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy.« less

Hyperspectral imaging for differentiation of foreign materials from pinto beans

NASA Astrophysics Data System (ADS)

Mehrubeoglu, Mehrube; Zemlan, Michael; Henry, Sam

2015-09-01

Food safety and quality in packaged products are paramount in the food processing industry. To ensure that packaged products are free of foreign materials, such as debris and pests, unwanted materials mixed with the targeted products must be detected before packaging. A portable hyperspectral imaging system in the visible-to-NIR range has been used to acquire hyperspectral data cubes from pinto beans that have been mixed with foreign matter. Bands and band ratios have been identified as effective features to develop a classification scheme for detection of foreign materials in pinto beans. A support vector machine has been implemented with a quadratic kernel to separate pinto beans and background (Class 1) from all other materials (Class 2) in each scene. After creating a binary classification map for the scene, further analysis of these binary images allows separation of false positives from true positives for proper removal action during packaging.

An efficient genome-wide association test for mixed binary and continuous phenotypes with applications to substance abuse research.

PubMed

Buu, Anne; Williams, L Keoki; Yang, James J

2018-03-01

We propose a new genome-wide association test for mixed binary and continuous phenotypes that uses an efficient numerical method to estimate the empirical distribution of the Fisher's combination statistic under the null hypothesis. Our simulation study shows that the proposed method controls the type I error rate and also maintains its power at the level of the permutation method. More importantly, the computational efficiency of the proposed method is much higher than the one of the permutation method. The simulation results also indicate that the power of the test increases when the genetic effect increases, the minor allele frequency increases, and the correlation between responses decreases. The statistical analysis on the database of the Study of Addiction: Genetics and Environment demonstrates that the proposed method combining multiple phenotypes can increase the power of identifying markers that may not be, otherwise, chosen using marginal tests.

Thermodynamic study on competitive solubilization of cholesterol and beta-sitosterol in bile salt micelles.

PubMed

Matsuoka, Keisuke; Hirosawa, Takashi; Honda, Chikako; Endo, Kazutoyo; Moroi, Yoshikiyo; Shibata, Osamu

2007-07-01

Differences in the preferential solubilization of cholesterol and competitive solubilizates (beta-sitosterol and aromatic compounds) in bile salt micelles was systematically studied by changing the molar ratio of cholesterol to competitive solubilizates. The cholesterol solubility in a mixed binary system (cholesterol and beta-sitosterol) was almost half that of the cholesterol alone system, regardless of the excess beta-sitosterol quantity added. On the other hand, the mutual solubilities of cholesterol and pyrene were not inhibited by their presence in binary mixed crystals. Finally, the cholesterol solubility was measured by changing the alkyl chain length of n-alkylbenzenes. When tetradecylbenzene was added to the bile solution, the cholesterol solubility decreased slightly and was below the original cholesterol solubility. Based on Gibbs energy change (DeltaG degrees ) for solubilization, chemicals that inhibit cholesterol solubility in their combined crystal systems showed a larger negative DeltaG degrees value than cholesterol alone.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries

NASA Astrophysics Data System (ADS)

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-01

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2 ,|m |=2 ) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m |)=(2 ,2 ),(3 ,3 ),(4 ,4 ),(2 ,1 ),(3 ,2 ),(4 ,3 ) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries.

PubMed

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-20

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2,|m|=2) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m|)=(2,2),(3,3),(4,4),(2,1),(3,2),(4,3) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

Flexible link functions in nonparametric binary regression with Gaussian process priors.

PubMed

Li, Dan; Wang, Xia; Lin, Lizhen; Dey, Dipak K

2016-09-01

In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. © 2015, The International Biometric Society.

Flexible Link Functions in Nonparametric Binary Regression with Gaussian Process Priors

PubMed Central

Li, Dan; Lin, Lizhen; Dey, Dipak K.

2015-01-01

Summary In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. PMID:26686333

An Empirical Comparison of Different Models of Active Aging in Canada: The International Mobility in Aging Study

PubMed Central

Ahmed, Tamer; Filiatrault, Johanne; Yu, Hsiu-Ting; Zunzunegui, Maria Victoria

2017-01-01

Abstract Purpose: Active aging is a concept that lacks consensus. The WHO defines it as a holistic concept that encompasses the overall health, participation, and security of older adults. Fernández-Ballesteros and colleagues propose a similar concept but omit security and include mood and cognitive function. To date, researchers attempting to validate conceptual models of active aging have obtained mixed results. The goal of this study was to examine the validity of existing models of active aging with epidemiological data from Canada. Methods: The WHO model of active aging and the psychological model of active aging developed by Fernández-Ballesteros and colleagues were tested with confirmatory factor analysis. The data used included 799 community-dwelling older adults between 65 and 74 years old, recruited from the patient lists of family physicians in Saint-Hyacinthe, Quebec and Kingston, Ontario. Results: Neither model could be validated in the sample of Canadian older adults. Although a concept of healthy aging can be modeled adequately, social participation and security did not fit a latent factor model. A simple binary index indicated that 27% of older adults in the sample did not meet the active aging criteria proposed by the WHO. Implications: Our results suggest that active aging might represent a human rights policy orientation rather than an empirical measurement tool to guide research among older adult populations. Binary indexes of active aging may serve to highlight what remains to be improved about the health, participation, and security of growing populations of older adults. PMID:26350153

Direct simulations of chemically reacting turbulent mixing layers

NASA Technical Reports Server (NTRS)

Riley, J. J.; Metcalfe, R. W.

1984-01-01

The report presents the results of direct numerical simulations of chemically reacting turbulent mixing layers. The work consists of two parts: (1) the development and testing of a spectral numerical computer code that treats the diffusion reaction equations; and (2) the simulation of a series of cases of chemical reactions occurring on mixing layers. The reaction considered is a binary, irreversible reaction with no heat release. The reacting species are nonpremixed. The results of the numerical tests indicate that the high accuracy of the spectral methods observed for rigid body rotation are also obtained when diffusion, reaction, and more complex flows are considered. In the simulations, the effects of vortex rollup and smaller scale turbulence on the overall reaction rates are investigated. The simulation results are found to be in approximate agreement with similarity theory. Comparisons of simulation results with certain modeling hypotheses indicate limitations in these hypotheses. The nondimensional product thickness computed from the simulations is compared with laboratory values and is found to be in reasonable agreement, especially since there are no adjustable constants in the method.

Theoretical analysis of aqueous solutions of mixed strong electrolytes by a smaller-ion shell electrostatic model

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

Fraenkel, Dan, E-mail: dfraenkel@eltronresearch.com

2014-02-07

In spite of the great importance of mixed electrolytes in science and technology, no compelling theoretical explanation has been offered yet for the thermodynamic behavior of such systems, such as their deviation from ideality and the variation of their excess functions with ionic composition and concentration. Using the newly introduced Smaller-ion Shell treatment – an extension of the Debye–Hückel theory to ions of dissimilar size (hence DH–SiS) – simple analytic mathematical expressions can be derived for the mean and single-ion activity coefficients of binary electrolyte components of ternary ionic systems. Such expressions are based on modifying the parallel DH–SiS equationsmore » for pure binary ionic systems, by adding to the three ion-size parameters – a (of counterions), b{sub +} (of positive coions), and b{sub −} (of negative coions) – a fourth parameter. For the (+ + −) system, this is “b{sub ++},” the contact distance between non-coion cations. b{sub ++} is derived from fits with experiment and, like the other b’s, is constant at varying ion concentration and combination. Four case studies are presented: (1) HCl–NaCl–H{sub 2}O, (2) HCl–NH{sub 4}Cl–H{sub 2}O, (3) (0.01 M HX)–MX–H{sub 2}O with X = Cl, Br, and with M = Li, Na, K, Cs, and (4) HCl–MCl{sub n}–H{sub 2}O with n = 2, M = Sr, Ba; and n = 3, M = Al, Ce. In all cases, theory is fully consistent with experiment when using a of the measured binary electrolyte as the sole fitting parameter. DH–SiS is thus shown to explain known “mysteries” in the behavior of ternary electrolytes, including Harned rule, and to adequately predict the pH of acid solutions in which ionized salts are present at different concentrations.« less

Hydrochemical evidence for mixing of river water and groundwater during high-flow conditions, lower Suwannee River basin, Florida, USA

USGS Publications Warehouse

Crandall, C.A.; Katz, B.G.; Hirten, J.J.

1999-01-01

Karstic aquifers are highly susceptible to rapid infiltration of river water, particularly during periods of high flow. Following a period of sustained rainfall in the Suwannee River basin, Florida, USA, the stage of the Suwannee River rose from 3.0 to 5.88 m above mean sea level in April 1996 and discharge peaked at 360 m3/s. During these high-flow conditions, water from the Suwannee River migrated directly into the karstic Upper Floridan aquifer, the main source of water supply for the area. Changes in the chemical composition of groundwater were quantified using naturally occurring geochemical tracers and mass-balance modeling techniques. Mixing of river water with groundwater was indicated by a decrease in the concentrations of calcium, silica, and 222Rn; and by an increase in dissolved organic carbon (DOC), tannic acid, and chloride, compared to low-flow conditions in water from a nearby monitoring well, Wingate Sink, and Little River Springs. The proportion (fraction) of river water in groundwater ranged from 0.13 to 0.65 at Wingate Sink and from 0.5 to 0.99 at well W-17258, based on binary mixing models using various tracers. The effectiveness of a natural tracer in quantifying mixing of river water and groundwater was related to differences in tracer concentration of the two end members and how conservatively the tracer reacted in the mixed water. Solutes with similar concentrations in the two end-member waters (Na, Mg, K, Cl, SO4, SiO2) were not as effective tracers for quantifying mixing of river water and groundwater as those with larger differences in end-member concentrations (Ca, tannic acid, DOC, 222Rn, HCO3). ?? Springer-Verlag.

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

DOE PAGES

Caskey, Christopher M.; Holder, Aaron; Shulda, Sarah; ...

2016-04-12

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experimentsmore » indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. Furthermore, this observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn 3N 4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.« less

Clustering Methods with Qualitative Data: A Mixed Methods Approach for Prevention Research with Small Samples

PubMed Central

Henry, David; Dymnicki, Allison B.; Mohatt, Nathaniel; Allen, James; Kelly, James G.

2016-01-01

Qualitative methods potentially add depth to prevention research, but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data, but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-Means clustering, and latent class analysis produced similar levels of accuracy with binary data, and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a “real-world” example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities. PMID:25946969

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

NASA Astrophysics Data System (ADS)

Caskey, Christopher M.; Holder, Aaron; Shulda, Sarah; Christensen, Steven T.; Diercks, David; Schwartz, Craig P.; Biagioni, David; Nordlund, Dennis; Kukliansky, Alon; Natan, Amir; Prendergast, David; Orvananos, Bernardo; Sun, Wenhao; Zhang, Xiuwen; Ceder, Gerbrand; Ginley, David S.; Tumas, William; Perkins, John D.; Stevanovic, Vladan; Pylypenko, Svitlana; Lany, Stephan; Richards, Ryan M.; Zakutayev, Andriy

2016-04-01

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experiments indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn3N4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.

PubMed

Caskey, Christopher M; Holder, Aaron; Shulda, Sarah; Christensen, Steven T; Diercks, David; Schwartz, Craig P; Biagioni, David; Nordlund, Dennis; Kukliansky, Alon; Natan, Amir; Prendergast, David; Orvananos, Bernardo; Sun, Wenhao; Zhang, Xiuwen; Ceder, Gerbrand; Ginley, David S; Tumas, William; Perkins, John D; Stevanovic, Vladan; Pylypenko, Svitlana; Lany, Stephan; Richards, Ryan M; Zakutayev, Andriy

2016-04-14

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experiments indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn3N4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.

Clustering Methods with Qualitative Data: a Mixed-Methods Approach for Prevention Research with Small Samples.

PubMed

Henry, David; Dymnicki, Allison B; Mohatt, Nathaniel; Allen, James; Kelly, James G

2015-10-01

Qualitative methods potentially add depth to prevention research but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed-methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed-methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-means clustering, and latent class analysis produced similar levels of accuracy with binary data and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a "real-world" example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities.

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

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

Caskey, Christopher M.; Colorado School of Mines, Golden, Colorado 80401; Larix Chemical Science, Golden, Colorado 80401

2016-04-14

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experimentsmore » indicate that this novel material is N-deficient SnN with tin in the mixed II/IV valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn{sub 3}N{sub 4} spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.« less

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

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.

The mixing effects for real gases and their mixtures

NASA Astrophysics Data System (ADS)

Gong, M. Q.; Luo, E. C.; Wu, J. F.

2004-10-01

The definitions of the adiabatic and isothermal mixing effects in the mixing processes of real gases were presented in this paper. Eight substances with boiling-point temperatures from cryogenic temperature to the ambient temperature were selected from the interest of low temperature refrigeration to study their binary and multicomponent mixing effects. Detailed analyses were made on the parameters of the mixing process to know their influences on mixing effects. Those parameters include the temperatures, pressures, and mole fraction ratios of pure substances before mixing. The results show that the maximum temperature variation occurs at the saturation state of each component in the mixing process. Those components with higher boiling-point temperatures have higher isothermal mixing effects. The maximum temperature variation which is defined as the adiabatic mixing effect can even reach up to 50 K, and the isothermal mixing effect can reach about 20 kJ/mol. The possible applications of the mixing cooling effect in both open cycle and closed cycle refrigeration systems were also discussed.

Vapor condensation onto a non-volatile liquid drop

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

Inci, Levent; Bowles, Richard K., E-mail: richard.bowles@usask.ca

2013-12-07

Molecular dynamics simulations of miscible and partially miscible binary Lennard–Jones mixtures are used to study the dynamics and thermodynamics of vapor condensation onto a non-volatile liquid drop in the canonical ensemble. When the system volume is large, the driving force for condensation is low and only a submonolayer of the solvent is adsorbed onto the liquid drop. A small degree of mixing of the solvent phase into the core of the particles occurs for the miscible system. At smaller volumes, complete film formation is observed and the dynamics of film growth are dominated by cluster-cluster coalescence. Mixing into the coremore » of the droplet is also observed for partially miscible systems below an onset volume suggesting the presence of a solubility transition. We also develop a non-volatile liquid drop model, based on the capillarity approximations, that exhibits a solubility transition between small and large drops for partially miscible mixtures and has a hysteresis loop similar to the one observed in the deliquescence of small soluble salt particles. The properties of the model are compared to our simulation results and the model is used to study the formulation of classical nucleation theory for systems with low free energy barriers.« less

Coordination of size-control, reproduction and generational memory in freshwater planarians

NASA Astrophysics Data System (ADS)

Yang, Xingbo; Kaj, Kelson; Schwab, David; Collins, Eva-Maria

Uncovering the mechanisms that control size, growth, and division rates of systems reproducing through binary division means understanding basic principles of their life cycle. Recent work has focused on how division rates are regulated in bacteria and yeast, but this question has not yet been addressed in more complex, multicellular organisms. We have acquired a unique large-scale data set on the growth and asexual reproduction of two freshwater planarian species, Dugesia japonica and Dugesia tigrina, which reproduce by transverse fission and succeeding regeneration of head and tail pieces into new worms. We developed a new additive theoretical model that mixes multiple size control strategies based on worm size, growth, and waiting time. Our model quantifies the proportions of each strategy in the mixed dynamics, revealing the ability of the two planarian species to utilize different strategies in a coordinated manner for size control. Additionally, we found that head and tail offspring of both species employ different mechanisms to monitor and trigger their reproduction cycles. Finally, we show that generation-dependent memory effects in planarians need to be taken into account to accurately capture the experimental data.

Something borrowed, something blue: The nature of blue metal-poor stars inferred from their colours and chemical abundances

NASA Astrophysics Data System (ADS)

Hansen, C. J.; Jofré, P.; Koch, A.; McWilliam, A.; Sneden, C. S.

2017-02-01

Blue metal-poor (BMP) stars are main sequence stars that appear bluer and more luminous than normal turnoff stars. They were originally singled out by using B-V and U-B colour cuts.Early studies found that a larger fraction of field BMP stars were binaries compared to normal halo stars. Thus, BMP stars are ideal field blue straggler candidates for investigating internal stellar evolution processes and binary interaction. In particular, the presence or depletion in lithium in their spectra is a powerful indicator of their origin. They are either old, halo blue stragglers experiencing internal mixing processes or mass transfer (Li-depletion), or intermediate-age, single stars of possibly extragalactic origin (2.2 dex halo plateau Li). However, we note that internal mixing processes can lead to an increased level of Li. Hence, this study combines photometry and spectroscopy to unveil the origin of various BMP stars. We first show how to separate binaries from young blue stars using photometry, metallicity and lithium. Using a sample of 80 BMP stars (T > 6300 K), we find that 97% of the BMP binaries have V-Ks0 < 1.08 ± 0.03, while BMP stars that are not binaries lie above this cut in two thirds of the cases. This cut can help classify stars that lack radial velocities from follow-up observations. We then trace the origin of two BMP stars from the photometric sample by conducting a full chemical analysis using new high-resolution and high signal-to-noise spectra. Based on their radial velocities, Li, α and s- and r-process abundances we show that BPS CS22874-042 is a single star (A(Li) = 2.38 ± 0.10 dex) while with A(Li)= 2.23 ± 0.07 dex CD-48 2445 is a binary, contrary to earlier findings. Our analysis emphasises that field blue stragglers can be segregated from single metal-poor stars, using (V-Ks) colours with a fraction of single stars polluting the binary sample, but not vice versa. These two groups can only be properly separated by using information from stellar spectra, illustrating the need for accurate and precise stellar parameters and high-resolution, high-S/N spectra in order to fully understand and classify this intriguing class of stars. Our high-resolution spectrum analysis confirms the findings from the colour cuts and shows that CS 22874-042 is single, while CD -48 2445 is most likely a binary. Moreover, the stellar abundances show that both stars formed in situ; CS 22874-042 carries traces of massive star enrichment and CD -48 2445 shows indications of AGB mass transfer mixed with gases ejected possibly from neutron star mergers. Based on UVES archive data 077.B-0507 and 090.B-0605. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile. Full Table 4 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/598/A54

Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory

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

Dudowicz, Jacek, E-mail: dudowicz@jfi.uchicago.edu; Freed, Karl F.; Douglas, Jack F.

2015-10-07

Standard Flory-Huggins (FH) theory is utilized to describe the enigmatic cosolvency and cononsolvency phenomena for systems of polymers dissolved in mixed solvents. In particular, phase boundaries (specifically upper critical solution temperature spinodals) are calculated for solutions of homopolymers B in pure solvents and in binary mixtures of small molecule liquids A and C. The miscibility (or immiscibility) patterns for the ternary systems are classified in terms of the FH binary interaction parameters (χ{sub αβ}) and the ratio r = ϕ{sub A}/ϕ{sub C} of the concentrations ϕ{sub A} and ϕ{sub C} of the two solvents. The trends in miscibility are comparedmore » to those observed for blends of random copolymers (A{sub x}C{sub 1−x}) with homopolymers (B) and to those deduced for A/B/C solutions of polymers B in liquid mixtures of small molecules A and C that associate into polymeric clusters (A{sub p}C{sub q}){sub i}, (i = 1, 2, …, ∞). Although the classic FH theory is able to explain cosolvency and cononsolvency phenomena, the theory does not include a consideration of the mutual association of the solvent molecules and the competitive association between the solvent molecules and the polymer. These interactions can be incorporated in refinements of the FH theory, and the present paper provides a foundation for such extensions for modeling the rich thermodynamics of polymers in mixed solvents.« less

Phase behavior of binary mixture systems of saturated-unsaturated mixed-acid triacylglycerols: effects of glycerol structures and chain-chain interactions.

PubMed

Bayés-García, Laura; Calvet, Teresa; Cuevas-Diarte, Miquel Àngel; Ueno, Satoru; Sato, Kiyotaka

2015-03-26

We systematically examined the phase behavior of binary mixtures of mixed-acid triacylglycerols (TAGs) containing palmitic and oleic acid moieties 1,3-dioleoyl-2-palmitoyl-glycerol (OPO), 1,2-dipalmitoyl-3-oleoyl-rac-glycerol (PPO), and 1,2-dioleoyl-3-palmitoyl-rac-glycerol (OOP), which are widely present in natural fats and are employed in the food, pharmaceutical, and cosmetic industries. Differential scanning calorimetry and X-ray diffraction methods were applied to observe the mixing behavior of PPO/OPO, OOP/OPO, and PPO/OOP under metastable and stable conditions. The results led to three conclusions: (1) Eutectic behavior was observed in PPO/OPO. (2) Molecular compound (MC) crystals were formed in the mixtures of OOP/OPO and PPO/OOP. (3) However, the MC crystals occurred only under metastable conditions and tended to separate into component TAGs to form eutectic mixture systems after 17 months of incubation. These results were contrary to those of previous studies on 1,3-dipalmitoyl-2-oleoyl glycerol (POP)/OPO and POP/PPO in which the MC crystals were thermodynamically stable. We determined that specific molecular interactions may cause this different phase behavior (stability of POP/OPO and POP/PPO MC crystals and metastability of OOP/OPO and PPO/OOP MC crystals). All results confirm the significant effects of molecular structures of glycerol groups, interactions of fatty acid chains, and polymorphism of the component TAGs on the mixing behavior of mixed-acid TAGs.

Mesoscopic model for binary fluids

NASA Astrophysics Data System (ADS)

Echeverria, C.; Tucci, K.; Alvarez-Llamoza, O.; Orozco-Guillén, E. E.; Morales, M.; Cosenza, M. G.

2017-10-01

We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.

Using Model Point Spread Functions to Identifying Binary Brown Dwarf Systems

NASA Astrophysics Data System (ADS)

Matt, Kyle; Stephens, Denise C.; Lunsford, Leanne T.

2017-01-01

A Brown Dwarf (BD) is a celestial object that is not massive enough to undergo hydrogen fusion in its core. BDs can form in pairs called binaries. Due to the great distances between Earth and these BDs, they act as point sources of light and the angular separation between binary BDs can be small enough to appear as a single, unresolved object in images, according to Rayleigh Criterion. It is not currently possible to resolve some of these objects into separate light sources. Stephens and Noll (2006) developed a method that used model point spread functions (PSFs) to identify binary Trans-Neptunian Objects, we will use this method to identify binary BD systems in the Hubble Space Telescope archive. This method works by comparing model PSFs of single and binary sources to the observed PSFs. We also use a method to compare model spectral data for single and binary fits to determine the best parameter values for each component of the system. We describe these methods, its challenges and other possible uses in this poster.

Modeling the binary circumstellar medium of Type IIb/L/n supernova progenitors

NASA Astrophysics Data System (ADS)

Kolb, Christopher; Blondin, John; Borkowski, Kazik; Reynolds, Stephen

2018-01-01

Circumstellar interaction in close binary systems can produce a highly asymmetric environment, particularly for systems with a mass outflow velocity comparable to the binary orbital speed. This asymmetric circumstellar medium (CSM) becomes visible after a supernova explosion, when SN radiation illuminates the gas and when SN ejecta collide with the CSM. We aim to better understand the development of this asymmetric CSM, particularly for binary systems containing a red supergiant progenitor, and to study its impact on supernova morphology. To achieve this, we model the asymmetric wind and subsequent supernova explosion in full 3D hydrodynamics using the shock-capturing hydro code VH-1 on a spherical yin-yang grid. Wind interaction is computed in a frame co-rotating with the binary system, and gas is accelerated using a radiation pressure-driven wind model where optical depth of the radiative force is dependent on azimuthally-averaged gas density. We present characterization of our asymmetric wind density distribution model by fitting a polar-to-equatorial density contrast function to free parameters such as binary separation distance, primary mass loss rate, and binary mass ratio.

Relationships between molecular structure and kinetic and thermodynamic controls in lipid systems. Part III. Crystallization and phase behavior of 1-palmitoyl-2,3-stearoyl-sn-glycerol (PSS) and tristearoylglycerol (SSS) binary system.

PubMed

Bouzidi, Laziz; Narine, Suresh S

2012-01-01

The phase behavior of 1-palmitoyl-2,3-distearoyl-sn-glycerol (PSS)/tristearoylglycerol (SSS) binary system was investigated in terms of polymorphism, crystallization and melting behavior, microstructure and solid fat content (SFC) using widely different constant cooling rates. Kinetic phase diagrams were experimentally determined from the DSC heating thermograms and analyzed using a thermodynamic model to account for non-ideality of mixing. The kinetic phase diagram presented a typical eutectic behavior with a eutectic point at the 0.5(PSS) mixture with a probable precipitation line from 0.5(PSS) to 1.0(PSS), regardless of the rate at which the sample was cooled. The eutectic temperature decreased only slightly with increasing cooling rate. PSS has a strong effect on the physical properties of the PSS-SSS mixtures. In fact, the overall phase behavior of the PSS-SSS binary system was determined, for a very large part, by the asymmetrical TAG. Moreover, PSS is a key driver of the high stability observed in crystal growth, polymorphism and phase development. Levels as low as 10% PSS, when cooled slowly, and 30% when cooled rapidly, were found to be sufficient to suppress the effect of thermal processing. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

The effect of stellar evolution uncertainties on the rest-frame ultraviolet stellar lines of C IV and He II in high-redshift Lyman-break galaxies

NASA Astrophysics Data System (ADS)

Eldridge, John J.; Stanway, Elizabeth R.

2012-01-01

Young, massive stars dominate the rest-frame ultraviolet (UV) spectra of star-forming galaxies. At high redshifts (z > 2), these rest-frame UV features are shifted into the observed-frame optical and a combination of gravitational lensing, deep spectroscopy and spectral stacking analysis allows the stellar population characteristics of these sources to be investigated. We use our stellar population synthesis code Binary Population and Spectral Synthesis (BPASS) to fit two strong rest-frame UV spectral features in published Lyman-break galaxy spectra, taking into account the effects of binary evolution on the stellar spectrum. In particular, we consider the effects of quasi-homogeneous evolution (arising from the rotational mixing of rapidly rotating stars), metallicity and the relative abundance of carbon and oxygen on the observed strengths of He IIλ1640 Å and C IVλ1548, 1551 Å spectral lines. We find that Lyman-break galaxy spectra at z ˜ 2-3 are best fitted with moderately sub-solar metallicities, and with a depleted carbon-to-oxygen ratio. We also find that the spectra of the lowest metallicity sources are best fitted with model spectra in which the He II emission line is boosted by the inclusion of the effect of massive stars being spun-up during binary mass transfer so these rapidly rotating stars experience quasi-homogeneous evolution.

Binary Black Hole Mergers from Globular Clusters: Implications for Advanced LIGO.

PubMed

Rodriguez, Carl L; Morscher, Meagan; Pattabiraman, Bharath; Chatterjee, Sourav; Haster, Carl-Johan; Rasio, Frederic A

2015-07-31

The predicted rate of binary black hole mergers from galactic fields can vary over several orders of magnitude and is extremely sensitive to the assumptions of stellar evolution. But in dense stellar environments such as globular clusters, binary black holes form by well-understood gravitational interactions. In this Letter, we study the formation of black hole binaries in an extensive collection of realistic globular cluster models. By comparing these models to observed Milky Way and extragalactic globular clusters, we find that the mergers of dynamically formed binaries could be detected at a rate of ∼100 per year, potentially dominating the binary black hole merger rate. We also find that a majority of cluster-formed binaries are more massive than their field-formed counterparts, suggesting that Advanced LIGO could identify certain binaries as originating from dense stellar environments.

Quantification of synthesized hydration products using synchrotron microtomography and spectral analysis

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

Deboodt, Tyler; Ideker, Jason H.; Isgor, O. Burkan

2017-12-01

The use of x-ray computed tomography (CT) as a standalone method has primarily been used to characterize pore structure, cracking and mechanical damage in cementitious systems due to low contrast in the hydrated phases. These limitations have resulted in the inability to extract quantifiable information on such phases. The goal of this research was to address the limitations caused by low contrast and improving the ability to distinguish the four primary hydrated phases in portland cement; C-S-H, calcium hydroxide, monosulfate, and ettringite. X-ray CT on individual layers, binary mixtures of phases, and quaternary mixtures of phases to represent a hydratedmore » portland cement paste were imaged with synchrotron radiation. Known masses of each phase were converted to a volume and compared to the segmented image volumes. It was observed that adequate contrast in binary mixing of phases allowed for segmentation, and subsequent image analysis indicated quantifiable volumes could be extracted from the tomographic volume. However, low contrast was observed when C-S-H and monosulfate were paired together leading to difficulties segmenting in an unbiased manner. Quantification of phases in quaternary mixtures included larger errors than binary mixes due to histogram overlaps of monosulfate, C-S-H, and calcium hydroxide.« less

Synthetic Survey of the Kepler Field

NASA Astrophysics Data System (ADS)

Wells, Mark; Prša, Andrej

2018-01-01

In the era of large scale surveys, including LSST and Gaia, binary population studies will flourish due to the large influx of data. In addition to probing binary populations as a function of galactic latitude, under-sampled groups such as low mass binaries will be observed at an unprecedented rate. To prepare for these missions, binary population simulations need to be carried out at high fidelity. These simulations will enable the creation of simulated data and, through comparison with real data, will allow the underlying binary parameter distributions to be explored. In order for the simulations to be considered robust, they should reproduce observed distributions accurately. To this end we have developed a simulator which takes input models and creates a synthetic population of eclipsing binaries. Starting from a galactic single star model, implemented using Galaxia, a code by Sharma et al. (2011), and applying observed multiplicity, mass-ratio, period, and eccentricity distributions, as reported by Raghavan et al. (2010), Duchêne & Kraus (2013), and Moe & Di Stefano (2017), we are able to generate synthetic binary surveys that correspond to any survey cadences. In order to calibrate our input models we compare the results of our synthesized eclipsing binary survey to the Kepler Eclipsing Binary catalog.

Mixed ligand complex formation of 2-aminobenzamide with Cu(II) in the presence of some amino acids: Synthesis, structural, biological, pH-metric, spectrophotometric and thermodynamic studies

NASA Astrophysics Data System (ADS)

Dharmaraja, Jeyaprakash; Esakkidurai, Thirugnanasamy; Subbaraj, Paramasivam; Shobana, Sutha

2013-10-01

Mixed ligand Cu(II) complexes of 2-aminobenzamide (2AB) and amino acids viz., glycine (gly), L-alanine (ala), L-valine (val) and L-phenylalanine (phe) have been synthesised and characterized by various physico-chemical and spectral techniques. The calculated g-tensor values for Cu(II) complexes at 77 K and 300 K, show the distorted octahedral geometry which has been confirmed from the absorption studies. Consequently, the thermal studies illustrate that the loss of water and acetate molecules in the initial stage which are followed by the decomposition of organic residues. The powder X-ray diffraction and SEM analysis reflect that all the complexes have well-defined crystallinity nature with homogeneous morphology. The binding activities of CT DNA with CuAB complexes have been examined by absorption studies. Further, the oxidative cleavage interactions of 2-aminobenzamide and CuAB complexes with DNA were studied by gel electrophoresis method in H2O2 medium. Also, the complex formation of Cu(II) involving 2-aminobenzamide and amino acids were carried out by a combined pH-metric and spectrophotometric techniques in 50% (v/v) water-ethanol mixture at 300, 310, 320 and 330 ± 0.1 K with I = 0.15 mol dm-3 (NaClO4). In solution, CuAB and CuAB2 species has been detected and the binding modes of 2-aminobenzamide and amino acids in both binary and mixed ligand complexes are same. The calculated stabilization value of Δ log K, log X and log X' indicates higher stabilities for the mixed ligand complexes rather than their binary species. The thermodynamic parameters like ΔG, ΔH and ΔS have been determined from temperature dependence of the stability constant. In vitro biological activities of 2-aminobenzamide, CuA and CuAB complexes show remarkable activities against some bacterial and fungal strains. The percentage distribution of various binary and mixed ligand species in solution at dissimilar pH intervals were also evaluated.

Reverse engineering of logic-based differential equation models using a mixed-integer dynamic optimization approach

PubMed Central

Henriques, David; Rocha, Miguel; Saez-Rodriguez, Julio; Banga, Julio R.

2015-01-01

Motivation: Systems biology models can be used to test new hypotheses formulated on the basis of previous knowledge or new experimental data, contradictory with a previously existing model. New hypotheses often come in the shape of a set of possible regulatory mechanisms. This search is usually not limited to finding a single regulation link, but rather a combination of links subject to great uncertainty or no information about the kinetic parameters. Results: In this work, we combine a logic-based formalism, to describe all the possible regulatory structures for a given dynamic model of a pathway, with mixed-integer dynamic optimization (MIDO). This framework aims to simultaneously identify the regulatory structure (represented by binary parameters) and the real-valued parameters that are consistent with the available experimental data, resulting in a logic-based differential equation model. The alternative to this would be to perform real-valued parameter estimation for each possible model structure, which is not tractable for models of the size presented in this work. The performance of the method presented here is illustrated with several case studies: a synthetic pathway problem of signaling regulation, a two-component signal transduction pathway in bacterial homeostasis, and a signaling network in liver cancer cells. Supplementary information: Supplementary data are available at Bioinformatics online. Contact: julio@iim.csic.es or saezrodriguez@ebi.ac.uk PMID:26002881

Reverse engineering of logic-based differential equation models using a mixed-integer dynamic optimization approach.

PubMed

Henriques, David; Rocha, Miguel; Saez-Rodriguez, Julio; Banga, Julio R

2015-09-15

Systems biology models can be used to test new hypotheses formulated on the basis of previous knowledge or new experimental data, contradictory with a previously existing model. New hypotheses often come in the shape of a set of possible regulatory mechanisms. This search is usually not limited to finding a single regulation link, but rather a combination of links subject to great uncertainty or no information about the kinetic parameters. In this work, we combine a logic-based formalism, to describe all the possible regulatory structures for a given dynamic model of a pathway, with mixed-integer dynamic optimization (MIDO). This framework aims to simultaneously identify the regulatory structure (represented by binary parameters) and the real-valued parameters that are consistent with the available experimental data, resulting in a logic-based differential equation model. The alternative to this would be to perform real-valued parameter estimation for each possible model structure, which is not tractable for models of the size presented in this work. The performance of the method presented here is illustrated with several case studies: a synthetic pathway problem of signaling regulation, a two-component signal transduction pathway in bacterial homeostasis, and a signaling network in liver cancer cells. Supplementary data are available at Bioinformatics online. julio@iim.csic.es or saezrodriguez@ebi.ac.uk. © The Author 2015. Published by Oxford University Press.

Application of environmental tracers to mixing, evolution, and nitrate contamination of ground water in Jeju Island, Korea

USGS Publications Warehouse

Koh, D.-C.; Plummer, Niel; Kip, Solomon D.; Busenberg, E.; Kim, Y.-J.; Chang, H.-W.

2006-01-01

Tritium/helium-3 (3H/3He) and chlorofluorocarbons (CFCs) were investigated as environmental tracers in ground water from Jeju Island (Republic of Korea), a basaltic volcanic island. Ground-water mixing was evaluated by comparing 3H and CFC-12 concentrations with lumped-parameter dispersion models, which distinguished old water recharged before the 1950s with negligible 3H and CFC-12 from younger water. Low 3H levels in a considerable number of samples cannot be explained by the mixing models, and were interpreted as binary mixing of old and younger water; a process also identified in alkalinity and pH of ground water. The ground-water CFC-12 age is much older in water from wells completed in confined zones of the hydro-volcanic Seogwipo Formation in coastal areas than in water from the basaltic aquifer. Major cation concentrations are much higher in young water with high nitrate than those in uncontaminated old water. Chemical evolution of ground water resulting from silicate weathering in basaltic rocks reaches the zeolite-smectite phase boundary. The calcite saturation state of ground water increases with the CFC-12 apparent (piston flow) age. In agricultural areas, the temporal trend of nitrate concentration in ground water is consistent with the known history of chemical fertilizer use on the island, but increase of nitrate concentration in ground water is more abrupt after the late 1970s compared with the exponential growth of nitrogen inputs. ?? 2005 Elsevier B.V. All rights reserved.

A possible formation channel for blue hook stars in globular cluster - II. Effects of metallicity, mass ratio, tidal enhancement efficiency and helium abundance

NASA Astrophysics Data System (ADS)

Lei, Zhenxin; Zhao, Gang; Zeng, Aihua; Shen, Lihua; Lan, Zhongjian; Jiang, Dengkai; Han, Zhanwen

2016-12-01

Employing tidally enhanced stellar wind, we studied in binaries the effects of metallicity, mass ratio of primary to secondary, tidal enhancement efficiency and helium abundance on the formation of blue hook (BHk) stars in globular clusters (GCs). A total of 28 sets of binary models combined with different input parameters are studied. For each set of binary model, we presented a range of initial orbital periods that is needed to produce BHk stars in binaries. All the binary models could produce BHk stars within different range of initial orbital periods. We also compared our results with the observation in the Teff-logg diagram of GC NGC 2808 and ω Cen. Most of the BHk stars in these two GCs locate well in the region predicted by our theoretical models, especially when C/N-enhanced model atmospheres are considered. We found that mass ratio of primary to secondary and tidal enhancement efficiency have little effects on the formation of BHk stars in binaries, while metallicity and helium abundance would play important roles, especially for helium abundance. Specifically, with helium abundance increasing in binary models, the space range of initial orbital periods needed to produce BHk stars becomes obviously wider, regardless of other input parameters adopted. Our results were discussed with recent observations and other theoretical models.

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

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

Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio

Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impactmore » on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.« less

Donor impurity incorporation during layer growth of Zn II-VI semiconductors

NASA Astrophysics Data System (ADS)

Barlow, D. A.

2017-12-01

The maximum halogen donor concentration in Zn II-VI semiconductors during layer growth is studied using a standard model from statistical mechanics. Here the driving force for incorporation is an increase in entropy upon mixing of the donor impurity into the available anion lattice sites in the host binary. A formation energy opposes this increase and thus equilibrium is attained at some maximum concentration. Considering the halogen donor impurities within the Zn II-VI binary semiconductors ZnO, ZnS, ZnSe and ZnTe, a heat of reaction obtained from reported diatomic bond strengths is shown to be directly proportional to the log of maximum donor concentration. The formation energy can then be estimated and an expression for maximum donor concentration derived. Values for the maximum donor concentration with each of the halogen impurities, within the Zn II-VI compounds, are computed. This model predicts that the halogens will serve as electron donors in these compounds in order of increasing effectiveness as: F, Br, I, Cl. Finally, this result is taken to be equivalent to an alternative model where donor concentration depends upon impurity diffusion and the conduction band energy shift due to a depletion region at the growing crystal's surface. From this, we are able to estimate the diffusion activation energy for each of the impurities mentioned above. Comparisons are made with reported values and relevant conclusions presented.

Evolution and nucleosynthesis of extremely metal-poor and metal-free low- and intermediate-mass stars. II. s-process nucleosynthesis during the core He flash

NASA Astrophysics Data System (ADS)

Campbell, S. W.; Lugaro, M.; Karakas, A. I.

2010-11-01

Context. Models of primordial and hyper-metal-poor stars that have masses similar to the Sun are known to experience an ingestion of protons into the hot core during the core helium flash phase at the end of their red giant branch evolution. This produces a concurrent secondary flash powered by hydrogen burning that gives rise to further nucleosynthesis in the core. Aims: We aim to model the nucleosynthesis occurring during the proton ingestion event to ascertain if any significant neutron-capture nucleosynthesis occurs. Methods: We perform post-process nucleosynthesis calculations on a one-dimensional stellar evolution calculation of a star with mass 1 M_⊙ and a metallicity of [Fe/H] = -6.5 that suffers a proton ingestion episode. Our network includes 320 nuclear species and 2366 reactions and treats mixing and burning simultaneously. Results: We find that the mixing and burning of protons into the hot convective core leads to the production of 13C, which then burns via the 13C(α, n)16O reaction, releasing a large number of free neutrons. During the first two years of neutron production the neutron poison 14N abundance is low, allowing the prodigious production of heavy elements such as strontium, barium, and lead via slow neutron captures (the s process). These nucleosynthetic products are later carried to the stellar surface and ejected via stellar winds. We compare our results with observations of the hyper-metal-poor halo star HE 1327-2326, which shows a strong Sr overabundance. Conclusions: Our model provides the possibility of self-consistently explaining the Sr overabundance in HE 1327-2326 together with its C, N, and O overabundances (all within a factor of ˜ ~4) if the material were heavily diluted, for example, via mass transfer in a wide binary system. The model produces at least 18 times too much Ba than observed, but this may be within the large modelling uncertainties. In this scenario, binary systems of low mass must have formed in the early Universe. If this is true, it puts constraints on the primordial initial mass function.

Are Binary Separations related to their System Mass?

NASA Astrophysics Data System (ADS)

Sterzik, M. F.; Durisen, R. H.

2004-08-01

We compile most recent multiplicity fractions and binary separation distributions for different primary masses, including very low-mass and brown dwarf primaries, and compare them with dynamical decay models of small-N clusters. The model predictions are based on detailed numerical calculations of the internal cluster dynamics, as well as on Monte-Carlo methods. Both observations and models reflect the same trends: (1) The multiplicity fraction is an increasing function of the primary mass. (2) The mean binary separations are increasing with the system mass in the sense that very low-mass binaries have average separations around ≈ 4AU, while the binary separation distribution for solar-type primaries peaks at ≈ 40AU. M-type binary systems apparently preferentially populate intermediate separations. Similar specific energy at the time of cluster formation for all cluster masses can possibly explain this trend.

Accuracy of binary black hole waveform models for aligned-spin binaries

NASA Astrophysics Data System (ADS)

Kumar, Prayush; Chu, Tony; Fong, Heather; Pfeiffer, Harald P.; Boyle, Michael; Hemberger, Daniel A.; Kidder, Lawrence E.; Scheel, Mark A.; Szilagyi, Bela

2016-05-01

Coalescing binary black holes are among the primary science targets for second generation ground-based gravitational wave detectors. Reliable gravitational waveform models are central to detection of such systems and subsequent parameter estimation. This paper performs a comprehensive analysis of the accuracy of recent waveform models for binary black holes with aligned spins, utilizing a new set of 84 high-accuracy numerical relativity simulations. Our analysis covers comparable mass binaries (mass-ratio 1 ≤q ≤3 ), and samples independently both black hole spins up to a dimensionless spin magnitude of 0.9 for equal-mass binaries and 0.85 for unequal mass binaries. Furthermore, we focus on the high-mass regime (total mass ≳50 M⊙ ). The two most recent waveform models considered (PhenomD and SEOBNRv2) both perform very well for signal detection, losing less than 0.5% of the recoverable signal-to-noise ratio ρ , except that SEOBNRv2's efficiency drops slightly for both black hole spins aligned at large magnitude. For parameter estimation, modeling inaccuracies of the SEOBNRv2 model are found to be smaller than systematic uncertainties for moderately strong GW events up to roughly ρ ≲15 . PhenomD's modeling errors are found to be smaller than SEOBNRv2's, and are generally irrelevant for ρ ≲20 . Both models' accuracy deteriorates with increased mass ratio, and when at least one black hole spin is large and aligned. The SEOBNRv2 model shows a pronounced disagreement with the numerical relativity simulation in the merger phase, for unequal masses and simultaneously both black hole spins very large and aligned. Two older waveform models (PhenomC and SEOBNRv1) are found to be distinctly less accurate than the more recent PhenomD and SEOBNRv2 models. Finally, we quantify the bias expected from all four waveform models during parameter estimation for several recovered binary parameters: chirp mass, mass ratio, and effective spin.

High-mass X-ray binary populations. 1: Galactic modeling

NASA Technical Reports Server (NTRS)

Dalton, William W.; Sarazin, Craig L.

1995-01-01

Modern stellar evolutionary tracks are used to calculate the evolution of a very large number of massive binary star systems (M(sub tot) greater than or = 15 solar mass) which cover a wide range of total masses, mass ratios, and starting separations. Each binary is evolved accounting for mass and angular momentum loss through the supernova of the primary to the X-ray binary phase. Using the observed rate of star formation in our Galaxy and the properties of massive binaries, we calculate the expected high-mass X-ray binary (HMXRB) population in the Galaxy. We test various massive binary evolutionary scenarios by comparing the resulting HMXRB predictions with the X-ray observations. A major goal of this study is the determination of the fraction of matter lost from the system during the Roche lobe overflow phase. Curiously, we find that the total numbers of observable HMXRBs are nearly independent of this assumed mass-loss fraction, with any of the values tested here giving acceptable agreement between predicted and observed numbers. However, comparison of the period distribution of our HMXRB models with the observed period distribution does reveal a distinction among the various models. As a result of this comparison, we conclude that approximately 70% of the overflow matter is lost from a massive binary system during mass transfer in the Roche lobe overflow phase. We compare models constructed assuming that all X-ray emission is due to accretion onto the compact object from the donor star's wind with models that incorporate a simplified disk accretion scheme. By comparing the results of these models with observations, we conclude that the formation of disks in HMXRBs must be relatively common. We also calculate the rate of formation of double degenerate binaries, high velocity detached compact objects, and Thorne-Zytkow objects.

Accuracy of Binary Black Hole Waveform Models for Advanced LIGO

NASA Astrophysics Data System (ADS)

Kumar, Prayush; Fong, Heather; Barkett, Kevin; Bhagwat, Swetha; Afshari, Nousha; Chu, Tony; Brown, Duncan; Lovelace, Geoffrey; Pfeiffer, Harald; Scheel, Mark; Szilagyi, Bela; Simulating Extreme Spacetimes (SXS) Team

2016-03-01

Coalescing binaries of compact objects, such as black holes and neutron stars, are the primary targets for gravitational-wave (GW) detection with Advanced LIGO. Accurate modeling of the emitted GWs is required to extract information about the binary source. The most accurate solution to the general relativistic two-body problem is available in numerical relativity (NR), which is however limited in application due to computational cost. Current searches use semi-analytic models that are based in post-Newtonian (PN) theory and calibrated to NR. In this talk, I will present comparisons between contemporary models and high-accuracy numerical simulations performed using the Spectral Einstein Code (SpEC), focusing at the questions: (i) How well do models capture binary's late-inspiral where they lack a-priori accurate information from PN or NR, and (ii) How accurately do they model binaries with parameters outside their range of calibration. These results guide the choice of templates for future GW searches, and motivate future modeling efforts.

Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.

PubMed

Jacquemin, Johan; Bendová, Magdalena; Sedláková, Zuzana; Blesic, Marijana; Holbrey, John D; Mullan, Claire L; Youngs, Tristan G A; Pison, Laure; Wagner, Zdeněk; Aim, Karel; Costa Gomes, Margarida F; Hardacre, Christopher

2012-05-14

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A unified procedure for meta-analytic evaluation of surrogate end points in randomized clinical trials

PubMed Central

Dai, James Y.; Hughes, James P.

2012-01-01

The meta-analytic approach to evaluating surrogate end points assesses the predictiveness of treatment effect on the surrogate toward treatment effect on the clinical end point based on multiple clinical trials. Definition and estimation of the correlation of treatment effects were developed in linear mixed models and later extended to binary or failure time outcomes on a case-by-case basis. In a general regression setting that covers nonnormal outcomes, we discuss in this paper several metrics that are useful in the meta-analytic evaluation of surrogacy. We propose a unified 3-step procedure to assess these metrics in settings with binary end points, time-to-event outcomes, or repeated measures. First, the joint distribution of estimated treatment effects is ascertained by an estimating equation approach; second, the restricted maximum likelihood method is used to estimate the means and the variance components of the random treatment effects; finally, confidence intervals are constructed by a parametric bootstrap procedure. The proposed method is evaluated by simulations and applications to 2 clinical trials. PMID:22394448

Chemical thermodynamic representations of and

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

Besmann, T.M.; Lindemer, T.B.

1984-01-01

All available oxygen potential-temperature-composition data for the calcium fluorite-structure phase were retrieved from the literature and utilized in the development of a binary solid solution representation of the phase. The data and phase relations are found to be best described by a solution of (Pu/sub 4/3/O/sub 2/) and (PuO/sub 2/) with a temperature dependent interaction energy. The fluorite-structure is assumed to be represented by a combination of the binaries and , and thus treated as a solution of (Pu/sub 4/3/O/sub 2/), (PuO/sub 2/), (UO/sub 2/), and either (U/sub 2/O/sub 4/./sub 5/) or (U/sub 3/O/sub 7/). The resulting equations wellmore » reproduce the large amount of oxygen potential-temperature-composition data for the mixed oxide system, all of which were also retrieved from the literature. These models are the first that appear to display the appropriate oxygen potential-temperature-composition and phase relation behavior over the entire range of existence for the phases. 39 refs., 10 figs., 3 tabs.« less

DIRECT N-BODY MODELING OF THE OLD OPEN CLUSTER NGC 188: A DETAILED COMPARISON OF THEORETICAL AND OBSERVED BINARY STAR AND BLUE STRAGGLER POPULATIONS

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

Geller, Aaron M.; Hurley, Jarrod R.; Mathieu, Robert D., E-mail: a-geller@northwestern.edu, E-mail: mathieu@astro.wisc.edu, E-mail: jhurley@astro.swin.edu.au

2013-01-01

Following on from a recently completed radial-velocity survey of the old (7 Gyr) open cluster NGC 188 in which we studied in detail the solar-type hard binaries and blue stragglers of the cluster, here we investigate the dynamical evolution of NGC 188 through a sophisticated N-body model. Importantly, we employ the observed binary properties of the young (180 Myr) open cluster M35, where possible, to guide our choices for parameters of the initial binary population. We apply pre-main-sequence tidal circularization and a substantial increase to the main-sequence tidal circularization rate, both of which are necessary to match the observed tidalmore » circularization periods in the literature, including that of NGC 188. At 7 Gyr the main-sequence solar-type hard-binary population in the model matches that of NGC 188 in both binary frequency and distributions of orbital parameters. This agreement between the model and observations is in a large part due to the similarities between the NGC 188 and M35 solar-type binaries. Indeed, among the 7 Gyr main-sequence binaries in the model, only those with P {approx}> 1000 days begin to show potentially observable evidence for modifications by dynamical encounters, even after 7 Gyr of evolution within the star cluster. This emphasizes the importance of defining accurate initial conditions for star cluster models, which we propose is best accomplished through comparisons with observations of young open clusters like M35. Furthermore, this finding suggests that observations of the present-day binaries in even old open clusters can provide valuable information on their primordial binary populations. However, despite the model's success at matching the observed solar-type main-sequence population, the model underproduces blue stragglers and produces an overabundance of long-period circular main-sequence-white-dwarf binaries as compared with the true cluster. We explore several potential solutions to the paucity of blue stragglers and conclude that the model dramatically underproduces blue stragglers through mass-transfer processes. We suggest that common-envelope evolution may have been incorrectly imposed on the progenitors of the spurious long-period circular main-sequence-white-dwarf binaries, which perhaps instead should have gone through stable mass transfer to create blue stragglers, thereby bringing both the number and binary frequency of the blue straggler population in the model into agreement with the true blue stragglers in NGC 188. Thus, improvements in the physics of mass transfer and common-envelope evolution employed in the model may in fact solve both discrepancies with the observations. This project highlights the unique accessibility of open clusters to both comprehensive observational surveys and full-scale N-body simulations, both of which have only recently matured sufficiently to enable such a project, and underscores the importance of open clusters to the study of star cluster dynamics.« less

Constraining Roche-Lobe Overflow Models Using the Hot-Subdwarf Wide Binary Population

NASA Astrophysics Data System (ADS)

Vos, Joris; Vučković, Maja

2017-12-01

One of the important issues regarding the final evolution of stars is the impact of binarity. A rich zoo of peculiar, evolved objects are born from the interaction between the loosely bound envelope of a giant, and the gravitational pull of a companion. However, binary interactions are not understood from first principles, and the theoretical models are subject to many assumptions. It is currently agreed upon that hot subdwarf stars can only be formed through binary interaction, either through common envelope ejection or stable Roche-lobe overflow (RLOF) near the tip of the red giant branch (RGB). These systems are therefore an ideal testing ground for binary interaction models. With our long term study of wide hot subdwarf (sdB) binaries we aim to improve our current understanding of stable RLOF on the RGB by comparing the results of binary population synthesis studies with the observed population. In this article we describe the current model and possible improvements, and which observables can be used to test different parts of the interaction model.

Close binary systems among very low-mass stars and brown dwarfs

NASA Astrophysics Data System (ADS)

Jeffries, R. D.; Maxted, P. F. L.

2005-12-01

Using Monte Carlo simulations and published radial velocity surveys we have constrained the frequency and separation (a) distribution of very low-mass star (VLM) and brown dwarf (BD) binary systems. We find that simple Gaussian extensions of the observed wide binary distribution, with a peak at 4 AU and 0.6<\\sigma_{\\log(a/AU)}<1.0, correctly reproduce the observed number of close binary systems, implying a close (a<2.6 AU) binary frequency of 17-30 % and overall frequency of 32-45 %. N-body models of the dynamical decay of unstable protostellar multiple systems are excluded with high confidence because they do not produce enough close binary VLMs/BDs. The large number of close binaries and high overall binary frequency are also completely inconsistent with published smoothed particle hydrodynamical modelling and argue against a dynamical origin for VLMs/BDs.

Handling incomplete correlated continuous and binary outcomes in meta-analysis of individual participant data.

PubMed

Gomes, Manuel; Hatfield, Laura; Normand, Sharon-Lise

2016-09-20

Meta-analysis of individual participant data (IPD) is increasingly utilised to improve the estimation of treatment effects, particularly among different participant subgroups. An important concern in IPD meta-analysis relates to partially or completely missing outcomes for some studies, a problem exacerbated when interest is on multiple discrete and continuous outcomes. When leveraging information from incomplete correlated outcomes across studies, the fully observed outcomes may provide important information about the incompleteness of the other outcomes. In this paper, we compare two models for handling incomplete continuous and binary outcomes in IPD meta-analysis: a joint hierarchical model and a sequence of full conditional mixed models. We illustrate how these approaches incorporate the correlation across the multiple outcomes and the between-study heterogeneity when addressing the missing data. Simulations characterise the performance of the methods across a range of scenarios which differ according to the proportion and type of missingness, strength of correlation between outcomes and the number of studies. The joint model provided confidence interval coverage consistently closer to nominal levels and lower mean squared error compared with the fully conditional approach across the scenarios considered. Methods are illustrated in a meta-analysis of randomised controlled trials comparing the effectiveness of implantable cardioverter-defibrillator devices alone to implantable cardioverter-defibrillator combined with cardiac resynchronisation therapy for treating patients with chronic heart failure. © 2016 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd. © 2016 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd.

Heritability and phenotypic variation of canine hip dysplasia radiographic traits in a cohort of Australian German shepherd dogs.

PubMed

Wilson, Bethany J; Nicholas, Frank W; James, John W; Wade, Claire M; Tammen, Imke; Raadsma, Herman W; Castle, Kao; Thomson, Peter C

2012-01-01

Canine Hip Dysplasia (CHD) is a common, painful and debilitating orthopaedic disorder of dogs with a partly genetic, multifactorial aetiology. Worldwide, potential breeding dogs are evaluated for CHD using radiographically based screening schemes such as the nine ordinally-scored British Veterinary Association Hip Traits (BVAHTs). The effectiveness of selective breeding based on screening results requires that a significant proportion of the phenotypic variation is caused by the presence of favourable alleles segregating in the population. This proportion, heritability, was measured in a cohort of 13,124 Australian German Shepherd Dogs born between 1976 and 2005, displaying phenotypic variation for BVAHTs, using ordinal, linear and binary mixed models fitted by a Restricted Maximum Likelihood method. Heritability estimates for the nine BVAHTs ranged from 0.14-0.24 (ordinal models), 0.14-0.25 (linear models) and 0.12-0.40 (binary models). Heritability for the summed BVAHT phenotype was 0.30 ± 0.02. The presence of heritable variation demonstrates that selection based on BVAHTs has the potential to improve BVAHT scores in the population. Assuming a genetic correlation between BVAHT scores and CHD-related pain and dysfunction, the welfare of Australian German Shepherds can be improved by continuing to consider BVAHT scores in the selection of breeding dogs, but that as heritability values are only moderate in magnitude the accuracy, and effectiveness, of selection could be improved by the use of Estimated Breeding Values in preference to solely phenotype based selection of breeding animals.

Comparison of two gas chromatograph models and analysis of binary data

NASA Technical Reports Server (NTRS)

Keba, P. S.; Woodrow, P. T.

1972-01-01

The overall objective of the gas chromatograph system studies is to generate fundamental design criteria and techniques to be used in the optimum design of the system. The particular tasks currently being undertaken are the comparison of two mathematical models of the chromatograph and the analysis of binary system data. The predictions of two mathematical models, an equilibrium absorption model and a non-equilibrium absorption model exhibit the same weaknesses in their inability to predict chromatogram spreading for certain systems. The analysis of binary data using the equilibrium absorption model confirms that, for the systems considered, superposition of predicted single component behaviors is a first order representation of actual binary data. Composition effects produce non-idealities which limit the rigorous validity of superposition.

Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

PubMed

Kumar, Dhananjay; Singh, Alpana; Gaur, J P

2008-11-01

The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

Interactions of S-peptide analogue in aqueous urea and trimethylamine-N-oxide solutions: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Sarma, Rahul; Paul, Sandip

2013-07-01

The ability of the osmolyte, trimethylamine-N-oxide (TMAO), to protect proteins from deleterious effect of urea, another commonly available osmolyte, is well-established. However, the molecular mechanism of this counteraction is not understood yet. To provide a molecular level understanding of how TMAO protects proteins in highly concentrated urea solution, we report here molecular dynamics simulation results of a 15-residue model peptide in two different conformations: helix and extended. For both conformations, simulations are carried out in pure water as well as in binary and ternary aqueous solutions of urea and TMAO. Analysis of solvation characteristics reveals direct interactions of urea and TMAO with peptide residues. However, the number of TMAO molecules that enter in the first solvation shell of the peptide is significantly lower than that of urea, and, unlike water and urea, TMAO shows its inability to form hydrogen bond with backbone oxygen and negatively charged sidechains. Preferential accumulation of urea near the peptide surface and preferential exclusion of TMAO from the peptide surface are observed. Inclusion of osmolytes in the peptide solvation shell leads to dehydration of the peptide in binary and ternary solutions of urea and TMAO. Solvation of peptide residues are investigated more closely by calculating the number of hydrogen bonds between the peptide and solution species. It is found that number of hydrogen bonds formed by the peptide with solution species increases in binary urea solution (relative to pure water) and this relative enhancement in hydrogen bond number reduces upon addition of TMAO. Our simulation results also suggest that, in the ternary solution, the peptide solvation layer is better mixed in terms of water and urea as compared to binary urea solution. Implications of the results for counteraction mechanism of TMAO are discussed.

Constraining Accreting Binary Populations in Normal Galaxies

NASA Astrophysics Data System (ADS)

Lehmer, Bret; Hornschemeier, A.; Basu-Zych, A.; Fragos, T.; Jenkins, L.; Kalogera, V.; Ptak, A.; Tzanavaris, P.; Zezas, A.

2011-01-01

X-ray emission from accreting binary systems (X-ray binaries) uniquely probe the binary phase of stellar evolution and the formation of compact objects such as neutron stars and black holes. A detailed understanding of X-ray binary systems is needed to provide physical insight into the formation and evolution of the stars involved, as well as the demographics of interesting binary remnants, such as millisecond pulsars and gravitational wave sources. Our program makes wide use of Chandra observations and complementary multiwavelength data sets (through, e.g., the Spitzer Infrared Nearby Galaxies Survey [SINGS] and the Great Observatories Origins Deep Survey [GOODS]), as well as super-computing facilities, to provide: (1) improved calibrations for correlations between X-ray binary emission and physical properties (e.g., star-formation rate and stellar mass) for galaxies in the local Universe; (2) new physical constraints on accreting binary processes (e.g., common-envelope phase and mass transfer) through the fitting of X-ray binary synthesis models to observed local galaxy X-ray binary luminosity functions; (3) observational and model constraints on the X-ray evolution of normal galaxies over the last 90% of cosmic history (since z 4) from the Chandra Deep Field surveys and accreting binary synthesis models; and (4) predictions for deeper observations from forthcoming generations of X-ray telesopes (e.g., IXO, WFXT, and Gen-X) to provide a science driver for these missions. In this talk, we highlight the details of our program and discuss recent results.

Gravitational waves from neutron star excitations in a binary inspiral

NASA Astrophysics Data System (ADS)

Parisi, Alessandro; Sturani, Riccardo

2018-02-01

In the context of a binary inspiral of mixed neutron star-black hole systems, we investigate the excitation of the neutron star oscillation modes by the orbital motion. We study generic eccentric orbits and show that tidal interaction can excite the f -mode oscillations of the star by computing the amount of energy and angular momentum deposited into the star by the orbital motion tidal forces via closed form analytic expressions. We study the f -mode oscillations of cold neutron stars using recent microscopic nuclear equations of state, and we compute their imprint into the emitted gravitational waves.

Negative base encoding in optical linear algebra processors

NASA Technical Reports Server (NTRS)

Perlee, C.; Casasent, D.

1986-01-01

In the digital multiplication by analog convolution algorithm, the bits of two encoded numbers are convolved to form the product of the two numbers in mixed binary representation; this output can be easily converted to binary. Attention is presently given to negative base encoding, treating base -2 initially, and then showing that the negative base system can be readily extended to any radix. In general, negative base encoding in optical linear algebra processors represents a more efficient technique than either sign magnitude or 2's complement encoding, when the additions of digitally encoded products are performed in parallel.

Extension of mixture-of-experts networks for binary classification of hierarchical data.

PubMed

Ng, Shu-Kay; McLachlan, Geoffrey J

2007-09-01

For many applied problems in the context of medically relevant artificial intelligence, the data collected exhibit a hierarchical or clustered structure. Ignoring the interdependence between hierarchical data can result in misleading classification. In this paper, we extend the mechanism for mixture-of-experts (ME) networks for binary classification of hierarchical data. Another extension is to quantify cluster-specific information on data hierarchy by random effects via the generalized linear mixed-effects model (GLMM). The extension of ME networks is implemented by allowing for correlation in the hierarchical data in both the gating and expert networks via the GLMM. The proposed model is illustrated using a real thyroid disease data set. In our study, we consider 7652 thyroid diagnosis records from 1984 to early 1987 with complete information on 20 attribute values. We obtain 10 independent random splits of the data into a training set and a test set in the proportions 85% and 15%. The test sets are used to assess the generalization performance of the proposed model, based on the percentage of misclassifications. For comparison, the results obtained from the ME network with independence assumption are also included. With the thyroid disease data, the misclassification rate on test sets for the extended ME network is 8.9%, compared to 13.9% for the ME network. In addition, based on model selection methods described in Section 2, a network with two experts is selected. These two expert networks can be considered as modeling two groups of patients with high and low incidence rates. Significant variation among the predicted cluster-specific random effects is detected in the patient group with low incidence rate. It is shown that the extended ME network outperforms the ME network for binary classification of hierarchical data. With the thyroid disease data, useful information on the relative log odds of patients with diagnosed conditions at different periods can be evaluated. This information can be taken into consideration for the assessment of treatment planning of the disease. The proposed extended ME network thus facilitates a more general approach to incorporate data hierarchy mechanism in network modeling.

Test and Evaluation Management Guide

DTIC Science & Technology

1993-08-01

between Ser- biotoxicity . Chemical-mixing tests are con- vice and DOE test personnel (Reference ducted to obtain information on the binary 55). chemical...reaction. Biotoxicity tests are per- formed to assess the potency of the agent Since the United States signed and ratified generated. Chemical weapons

An isopiestic study of aqueous NaBr and KBr at 50 °C: Chemical equilibrium model of solution behavior and solubility in the NaBr-H 2O, KBr-H 2O and Na-K-Br-H 2O systems to high concentration and temperature

NASA Astrophysics Data System (ADS)

Christov, Christomir

2007-07-01

The isopiestic method has been used to determine the osmotic coefficients of the binary solutions NaBr-H 2O (from 0.745 to 5.953 mol kg -1) and KBr-H 2O (from 0.741 to 5.683 mol kg -1) at the temperature t = 50 °C. Sodium chloride solutions have been used as isopiestic reference standards. The isopiestic results obtained have been combined with all other experimental thermodynamic quantities available in literature (osmotic coefficients, water activities, bromide mineral's solubilities) to construct a chemical model that calculates solute and solvent activities and solid-liquid equilibria in the NaBr-H 2O, KBr-H 2O and Na-K-Br-H 2O systems from dilute to high solution concentration within the 0-300 °C temperature range. The Harvie and Weare [Harvie C., and Weare J. (1980) The prediction of mineral solubilities in naturalwaters: the Na-K-Mg-Ca-Cl-SO 4-H 2O system from zero to high concentration at 25 °C. Geochim. Cosmochim. Acta44, 981-997] solubility modeling approach, incorporating their implementation of the concentration-dependent specific interaction equations of Pitzer [Pitzer K. (1973) Thermodynamics of electrolytes. I. Theoretical basis and general equations. J. Phys. Chem.77, 268-277] is employed. The model for binary systems is validated by comparing activity coefficient predictions with those given in literature, and not used in the parameterization process. Limitations of the mixed solutions model due to data insufficiencies are discussed. This model expands the variable temperature sodium-potassium model of Greenberg and Moller [Greenberg J., and Moller N. (1989) The prediction of mineral solubilities in natural waters: a chemical equilibrium model for the Na-K-Ca-Cl-SO 4-H 2O system to high concentration from 0 to 250 °C. Geochim. Cosmochim. Acta53, 2503-2518] by evaluating Br - pure electrolyte and mixing solution parameters and the chemical potentials of three bromide solid phases: NaBr-2H 2O (cr), NaBr (cr) and KBr (cr).

An Empirical Comparison of Different Models of Active Aging in Canada: The International Mobility in Aging Study.

PubMed

Bélanger, Emmanuelle; Ahmed, Tamer; Filiatrault, Johanne; Yu, Hsiu-Ting; Zunzunegui, Maria Victoria

2017-04-01

Active aging is a concept that lacks consensus. The WHO defines it as a holistic concept that encompasses the overall health, participation, and security of older adults. Fernández-Ballesteros and colleagues propose a similar concept but omit security and include mood and cognitive function. To date, researchers attempting to validate conceptual models of active aging have obtained mixed results. The goal of this study was to examine the validity of existing models of active aging with epidemiological data from Canada. The WHO model of active aging and the psychological model of active aging developed by Fernández-Ballesteros and colleagues were tested with confirmatory factor analysis. The data used included 799 community-dwelling older adults between 65 and 74 years old, recruited from the patient lists of family physicians in Saint-Hyacinthe, Quebec and Kingston, Ontario. Neither model could be validated in the sample of Canadian older adults. Although a concept of healthy aging can be modeled adequately, social participation and security did not fit a latent factor model. A simple binary index indicated that 27% of older adults in the sample did not meet the active aging criteria proposed by the WHO. Our results suggest that active aging might represent a human rights policy orientation rather than an empirical measurement tool to guide research among older adult populations. Binary indexes of active aging may serve to highlight what remains to be improved about the health, participation, and security of growing populations of older adults. © The Author 2015. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Statistical power calculations for mixed pharmacokinetic study designs using a population approach.

PubMed

Kloprogge, Frank; Simpson, Julie A; Day, Nicholas P J; White, Nicholas J; Tarning, Joel

2014-09-01

Simultaneous modelling of dense and sparse pharmacokinetic data is possible with a population approach. To determine the number of individuals required to detect the effect of a covariate, simulation-based power calculation methodologies can be employed. The Monte Carlo Mapped Power method (a simulation-based power calculation methodology using the likelihood ratio test) was extended in the current study to perform sample size calculations for mixed pharmacokinetic studies (i.e. both sparse and dense data collection). A workflow guiding an easy and straightforward pharmacokinetic study design, considering also the cost-effectiveness of alternative study designs, was used in this analysis. Initially, data were simulated for a hypothetical drug and then for the anti-malarial drug, dihydroartemisinin. Two datasets (sampling design A: dense; sampling design B: sparse) were simulated using a pharmacokinetic model that included a binary covariate effect and subsequently re-estimated using (1) the same model and (2) a model not including the covariate effect in NONMEM 7.2. Power calculations were performed for varying numbers of patients with sampling designs A and B. Study designs with statistical power >80% were selected and further evaluated for cost-effectiveness. The simulation studies of the hypothetical drug and the anti-malarial drug dihydroartemisinin demonstrated that the simulation-based power calculation methodology, based on the Monte Carlo Mapped Power method, can be utilised to evaluate and determine the sample size of mixed (part sparsely and part densely sampled) study designs. The developed method can contribute to the design of robust and efficient pharmacokinetic studies.

K-Rich Basaltic Sources beneath Ultraslow Spreading Central Lena Trough in the Arctic Ocean

NASA Astrophysics Data System (ADS)

Ling, X.; Snow, J. E.; Li, Y.

2016-12-01

Magma sources fundamentally influence accretion processes at ultraslow spreading ridges. Potassium enriched Mid-Ocean Ridge Basalt (K-MORB) was dredged from the central Lena Trough (CLT) in the Arctic Ocean (Nauret et al., 2011). Its geochemical signatures indicate a heterogeneous mantle source with probable garnet present under low pressure. To explore the basaltic mantle sources beneath the study area, multiple models are carried out predicting melting sources and melting P-T conditions in this study. P-T conditions are estimated by the experimental derived thermobarometer from Hoang and Flower (1998). Batch melting model and major element model (AlphaMELTs) are used to calculate the heterogeneous mantle sources. The modeling suggests phlogopite is the dominant H2O-K bearing mineral in the magma source. 5% partial melting of phlogopite and amphibole mixing with depleted mantle (DM) melt is consistent with the incompatible element pattern of CLT basalt. P-T estimation shows 1198-1212oC/4-7kbar as the possible melting condition for CLT basalt. Whereas the chemical composition of north Lena Trough (NLT) basalt is similar to N-MORB, and the P-T estimation corresponds to 1300oC normal mantle adiabat. The CLT basalt bulk composition is of mixture of 40% of the K-MORB endmember and an N-MORB-like endmember similar to NLT basalt. Therefore the binary mixing of the two endmembers exists in the CLT region. This kind of mixing infers to the tectonic evolution of the region, which is simultaneous to the Arctic Ocean opening.

Variance in binary stellar population synthesis

NASA Astrophysics Data System (ADS)

Breivik, Katelyn; Larson, Shane L.

2016-03-01

In the years preceding LISA, Milky Way compact binary population simulations can be used to inform the science capabilities of the mission. Galactic population simulation efforts generally focus on high fidelity models that require extensive computational power to produce a single simulated population for each model. Each simulated population represents an incomplete sample of the functions governing compact binary evolution, thus introducing variance from one simulation to another. We present a rapid Monte Carlo population simulation technique that can simulate thousands of populations in less than a week, thus allowing a full exploration of the variance associated with a binary stellar evolution model.

Studying Variance in the Galactic Ultra-compact Binary Population

NASA Astrophysics Data System (ADS)

Larson, Shane L.; Breivik, Katelyn

2017-01-01

In the years preceding LISA, Milky Way compact binary population simulations can be used to inform the science capabilities of the mission. Galactic population simulation efforts generally focus on high fidelity models that require extensive computational power to produce a single simulated population for each model. Each simulated population represents an incomplete sample of the functions governing compact binary evolution, thus introducing variance from one simulation to another. We present a rapid Monte Carlo population simulation technique that can simulate thousands of populations on week-long timescales, thus allowing a full exploration of the variance associated with a binary stellar evolution model.

Markov chains at the interface of combinatorics, computing, and statistical physics

NASA Astrophysics Data System (ADS)

Streib, Amanda Pascoe

The fields of statistical physics, discrete probability, combinatorics, and theoretical computer science have converged around efforts to understand random structures and algorithms. Recent activity in the interface of these fields has enabled tremendous breakthroughs in each domain and has supplied a new set of techniques for researchers approaching related problems. This thesis makes progress on several problems in this interface whose solutions all build on insights from multiple disciplinary perspectives. First, we consider a dynamic growth process arising in the context of DNA-based self-assembly. The assembly process can be modeled as a simple Markov chain. We prove that the chain is rapidly mixing for large enough bias in regions of Zd. The proof uses a geometric distance function and a variant of path coupling in order to handle distances that can be exponentially large. We also provide the first results in the case of fluctuating bias, where the bias can vary depending on the location of the tile, which arises in the nanotechnology application. Moreover, we use intuition from statistical physics to construct a choice of the biases for which the Markov chain Mmon requires exponential time to converge. Second, we consider a related problem regarding the convergence rate of biased permutations that arises in the context of self-organizing lists. The Markov chain Mnn in this case is a nearest-neighbor chain that allows adjacent transpositions, and the rate of these exchanges is governed by various input parameters. It was conjectured that the chain is always rapidly mixing when the inversion probabilities are positively biased, i.e., we put nearest neighbor pair x < y in order with bias 1/2 ≤ pxy ≤ 1 and out of order with bias 1 - pxy. The Markov chain Mmon was known to have connections to a simplified version of this biased card-shuffling. We provide new connections between Mnn and Mmon by using simple combinatorial bijections, and we prove that Mnn is always rapidly mixing for two general classes of positively biased { pxy}. More significantly, we also prove that the general conjecture is false by exhibiting values for the pxy, with 1/2 ≤ pxy ≤ 1 for all x < y, but for which the transposition chain will require exponential time to converge. Finally, we consider a model of colloids, which are binary mixtures of molecules with one type of molecule suspended in another. It is believed that at low density typical configurations will be well-mixed throughout, while at high density they will separate into clusters. This clustering has proved elusive to verify, since all local sampling algorithms are known to be inefficient at high density, and in fact a new nonlocal algorithm was recently shown to require exponential time in some cases. We characterize the high and low density phases for a general family of discrete interfering binary mixtures by showing that they exhibit a "clustering property" at high density and not at low density. The clustering property states that there will be a region that has very high area, very small perimeter, and high density of one type of molecule. Special cases of interfering binary mixtures include the Ising model at fixed magnetization and independent sets.

SHAPING THE BROWN DWARF DESERT: PREDICTING THE PRIMORDIAL BROWN DWARF BINARY DISTRIBUTIONS FROM TURBULENT FRAGMENTATION

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

Jumper, Peter H.; Fisher, Robert T., E-mail: robert.fisher@umassd.edu

2013-05-20

The formation of brown dwarfs (BDs) poses a key challenge to star formation theory. The observed dearth of nearby ({<=}5 AU) BD companions to solar mass stars, known as the BD desert, as well as the tendency for low-mass binary systems to be more tightly bound than stellar binaries, has been cited as evidence for distinct formation mechanisms for BDs and stars. In this paper, we explore the implications of the minimal hypothesis that BDs in binary systems originate via the same fundamental fragmentation mechanism as stars, within isolated, turbulent giant molecular cloud cores. We demonstrate analytically that the scalingmore » of specific angular momentum with turbulent core mass naturally gives rise to the BD desert, as well as wide BD binary systems. Further, we show that the turbulent core fragmentation model also naturally predicts that very low mass binary and BD/BD systems are more tightly bound than stellar systems. In addition, in order to capture the stochastic variation intrinsic to turbulence, we generate 10{sup 4} model turbulent cores with synthetic turbulent velocity fields to show that the turbulent fragmentation model accommodates a small fraction of binary BDs with wide separations, similar to observations. Indeed, the picture which emerges from the turbulent fragmentation model is that a single fragmentation mechanism may largely shape both stellar and BD binary distributions during formation.« less

Nonideal mixing of phosphatidylserine and phosphatidylcholine in the fluid lamellar phase.

PubMed Central

Huang, J; Swanson, J E; Dibble, A R; Hinderliter, A K; Feigenson, G W

1993-01-01

The mixing of phosphatidylserine (PS) and phosphatidylcholine (PC) in fluid bilayer model membranes was studied by measuring binding of aqueous Ca2+ ions. The measured [Ca2+]aq was used to derive the activity coefficient for PS, gamma PS, in the lipid mixture. For (16:0, 18:1) PS in binary mixtures with either (16:0, 18:1)PC, (14:1, 14:1)PC, or (18:1, 18:1)PC, gamma PS > 1; i.e., mixing is nonideal, with PS and PC clustered rather than randomly distributed, despite the electrostatic repulsion between PS headgroups. To understand better this mixing behavior, Monte Carlo simulations of the PS/PC distributions were performed, using Kawasaki relaxation. The excess energy was divided into an electrostatic term Uel and one adjustable term including all other nonideal energy contributions, delta Em. Uel was calculated using a discrete charge theory. Kirkwood's coupling parameter method was used to calculate the excess free energy of mixing, delta GEmix, hence In gamma PS,calc. The values of In gamma PS,calc were equalized by adjusting delta Em in order to find the simulated PS/PC distribution that corresponded to the experimental results. We were thus able to compare the smeared charge calculation of [Ca2+]surf with a calculation ("masked evaluation method") that recognized clustering of the negatively charged PS: clustering was found to have a modest effect on [Ca2+]surf, relative to the smeared charge model. Even though both PS and PC tend to cluster, the long-range nature of the electrostatic repulsion reduces the extent of PS clustering at low PS mole fraction compared to PC clustering at an equivalent low PC mole fraction. PMID:8457667

Nonideal mixing of phosphatidylserine and phosphatidylcholine in the fluid lamellar phase.

PubMed

Huang, J; Swanson, J E; Dibble, A R; Hinderliter, A K; Feigenson, G W

1993-02-01

The mixing of phosphatidylserine (PS) and phosphatidylcholine (PC) in fluid bilayer model membranes was studied by measuring binding of aqueous Ca2+ ions. The measured [Ca2+]aq was used to derive the activity coefficient for PS, gamma PS, in the lipid mixture. For (16:0, 18:1) PS in binary mixtures with either (16:0, 18:1)PC, (14:1, 14:1)PC, or (18:1, 18:1)PC, gamma PS > 1; i.e., mixing is nonideal, with PS and PC clustered rather than randomly distributed, despite the electrostatic repulsion between PS headgroups. To understand better this mixing behavior, Monte Carlo simulations of the PS/PC distributions were performed, using Kawasaki relaxation. The excess energy was divided into an electrostatic term Uel and one adjustable term including all other nonideal energy contributions, delta Em. Uel was calculated using a discrete charge theory. Kirkwood's coupling parameter method was used to calculate the excess free energy of mixing, delta GEmix, hence In gamma PS,calc. The values of In gamma PS,calc were equalized by adjusting delta Em in order to find the simulated PS/PC distribution that corresponded to the experimental results. We were thus able to compare the smeared charge calculation of [Ca2+]surf with a calculation ("masked evaluation method") that recognized clustering of the negatively charged PS: clustering was found to have a modest effect on [Ca2+]surf, relative to the smeared charge model. Even though both PS and PC tend to cluster, the long-range nature of the electrostatic repulsion reduces the extent of PS clustering at low PS mole fraction compared to PC clustering at an equivalent low PC mole fraction.

Quantitative measurement of binary liquid distributions using multiple-tracer x-ray fluorescence and radiography

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

Halls, Benjamin R.; Meyer, Terrence R.; Kastengren, Alan L.

2015-01-01

The complex geometry and large index-of-refraction gradients that occur near the point of impingement of binary liquid jets present a challenging environment for optical interrogation. A simultaneous quadruple-tracer x-ray fluorescence and line-of-sight radiography technique is proposed as a means of distinguishing and quantifying individual liquid component distributions prior to, during, and after jet impact. Two different pairs of fluorescence tracers are seeded into each liquid stream to maximize their attenuation ratio for reabsorption correction and differentiation of the two fluids during mixing. This approach for instantaneous correction of x-ray fluorescence reabsorption is compared with a more time-intensive approach of usingmore » stereographic reconstruction of x-ray attenuation along multiple lines of sight. The proposed methodology addresses the need for a quantitative measurement technique capable of interrogating optically complex, near-field liquid distributions in many mixing systems of practical interest involving two or more liquid streams.« less

Physical-mechanical properties of agar/κ-carrageenan blend film and derived clay nanocomposite film.

PubMed

Rhim, Jong-Whan

2012-12-01

Binary blend films with different mixing ratio of agar and κ-carrageenan were prepared using a solution casting method with and without nanoclay and the effect of their composition on the mechanical, water vapor barrier, and water resistance properties was tested. The tensile strength (TS) of the κ-carrageenan film was greater than that of agar film. The water vapor permeability (WVP) of the agar film was lower than that of κ-carrageenan film, the swelling ratio (SR) and water solubility (WS) of κ-carrageenan film were higher than those of agar film. Each property of the binary blend films varied proportionately depending on the mixing ratio of each component. The XRD result indicated that the nanocomposite with agar/κ-carrageenan/clay (Cloisite(®) Na(+)) was intercalated. Consequently, the mechanical strength, water vapor barrier properties, and water contact angle (CA) were significantly (P < 0.05) improved through nanocomposite formation. © 2012 Institute of Food Technologists®

Quantitative measurement of binary liquid distributions using multiple-tracer x-ray fluorescence and radiography

DOE PAGES

Halls, Benjamin R.; Meyer, Terrence R.; Kastengren, Alan L.

2015-01-23

The complex geometry and large index-of-refraction gradients that occur near the point of impingement of binary liquid jets present a challenging environment for optical interrogation. A simultaneous quadruple-tracer x-ray fluorescence and line-of-sight radiography technique is proposed as a means of distinguishing and quantifying individual liquid component distributions prior to, during, and after jet impact. Two different pairs of fluorescence tracers are seeded into each liquid stream to maximize their attenuation ratio for reabsorption correction and differentiation of the two fluids during mixing. This approach for instantaneous correction of x-ray fluorescence reabsorption is compared with a more time-intensive approach of usingmore » stereographic reconstruction of x-ray attenuation along multiple lines of sight. The proposed methodology addresses the need for a quantitative measurement technique capable of interrogating optically complex, near-field liquid distributions in many mixing systems of practical interest involving two or more liquid streams.« less

Bayesian inference for unidirectional misclassification of a binary response trait.

PubMed

Xia, Michelle; Gustafson, Paul

2018-03-15

When assessing association between a binary trait and some covariates, the binary response may be subject to unidirectional misclassification. Unidirectional misclassification can occur when revealing a particular level of the trait is associated with a type of cost, such as a social desirability or financial cost. The feasibility of addressing misclassification is commonly obscured by model identification issues. The current paper attempts to study the efficacy of inference when the binary response variable is subject to unidirectional misclassification. From a theoretical perspective, we demonstrate that the key model parameters possess identifiability, except for the case with a single binary covariate. From a practical standpoint, the logistic model with quantitative covariates can be weakly identified, in the sense that the Fisher information matrix may be near singular. This can make learning some parameters difficult under certain parameter settings, even with quite large samples. In other cases, the stronger identification enables the model to provide more effective adjustment for unidirectional misclassification. An extension to the Poisson approximation of the binomial model reveals the identifiability of the Poisson and zero-inflated Poisson models. For fully identified models, the proposed method adjusts for misclassification based on learning from data. For binary models where there is difficulty in identification, the method is useful for sensitivity analyses on the potential impact from unidirectional misclassification. Copyright © 2017 John Wiley & Sons, Ltd.

Criteria for predicting the formation of single-phase high-entropy alloys

DOE PAGES

Troparevsky, M Claudia; Morris, James R..; Kent, Paul R.; ...

2015-03-15

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts thatmore » the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.« less

Modeling viscosity and diffusion of plasma mixtures across coupling regimes

NASA Astrophysics Data System (ADS)

Arnault, Philippe

2014-10-01

Viscosity and diffusion of plasma for pure elements and multicomponent mixtures are modeled from the high-temperature low-density weakly coupled regime to the low-temperature high-density strongly coupled regime. Thanks to an atom in jellium modeling, the effect of electron screening on the ion-ion interaction is incorporated through a self-consistent definition of the ionization. This defines an effective One Component Plasma, or an effective Binary Ionic Mixture, that is representative of the strength of the interaction. For the viscosity and the interdiffusion of mixtures, approximate kinetic expressions are supplemented by mixing laws applied to the excess viscosity and self-diffusion of pure elements. The comparisons with classical and quantum molecular dynamics results reveal deviations in the range 20--40% on average with almost no predictions further than a factor of 2 over many decades of variation. Applications in the inertial confinement fusion context could help in predicting the growth of hydrodynamic instabilities.

Distribution, occupancy, and habitat correlates of American martens (Martes americana) in Rocky Mountain National Park, Colorado

USGS Publications Warehouse

Baldwin, R.A.; Bender, L.C.

2008-01-01

A clear understanding of habitat associations of martens (Martes americana) is necessary to effectively manage and monitor populations. However, this information was lacking for martens in most of their southern range, particularly during the summer season. We studied the distribution and habitat correlates of martens from 2004 to 2006 in Rocky Mountain National Park (RMNP) across 3 spatial scales: site-specific, home-range, and landscape. We used remote-sensored cameras from early August through late October to inventory occurrence of martens and modeled occurrence as a function of habitat and landscape variables using binary response (BR) and binomial count (BC) logistic regression, and occupancy modeling (OM). We also assessed which was the most appropriate modeling technique for martens in RMNP. Of the 3 modeling techniques, OM appeared to be most appropriate given the explanatory power of derived models and its incorporation of detection probabilities, although the results from BR and BC provided corroborating evidence of important habitat correlates. Location of sites in the western portion of the park, riparian mixed-conifer stands, and mixed-conifer with aspen patches were most frequently positively correlated with occurrence of martens, whereas more xeric and open sites were avoided. Additionally, OM yielded unbiased occupancy values ranging from 91% to 100% and 20% to 30% for the western and eastern portions of RMNP, respectively. ?? 2008 American Society of Mammalogists.

Identifying factors influencing contraceptive use in Bangladesh: evidence from BDHS 2014 data.

PubMed

Hossain, M B; Khan, M H R; Ababneh, F; Shaw, J E H

2018-01-30

Birth control is the conscious control of the birth rate by methods which temporarily prevent conception by interfering with the normal process of ovulation, fertilization, and implantation. High contraceptive prevalence rate is always expected for controlling births for those countries that are experiencing high population growth rate. The factors that influence contraceptive prevalence are also important to know for policy implication purposes in Bangladesh. This study aims to explore the socio-economic, demographic and others key factors that influence the use of contraception in Bangladesh. The contraception data are extracted from the 2014 Bangladesh Demographic and Health Survey (BDHS) data which were collected by using a two stage stratified random sampling technique that is a source of nested variability. The nested sources of variability must be incorporated in the model using random effects in order to model the actual parameter effects on contraceptive prevalence. A mixed effect logistic regression model has been implemented for the binary contraceptive data, where parameters are estimated through generalized estimating equation by assuming exchangeable correlation structure to explore and identify the factors that truly affect the use of contraception in Bangladesh. The prevalence of contraception use by currently married 15-49 years aged women or their husbands is 62.4%. Our study finds that administrative division, place of residence, religion, number of household members, woman's age, occupation, body mass index, breastfeeding practice, husband's education, wish for children, living status with wife, sexual activity in past year, women amenorrheic status, abstaining status, number of children born in last five years and total children ever died were significantly associated with contraception use in Bangladesh. The odds of women experiencing the outcome of interest are not independent due to the nested structure of the data. As a result, a mixed effect model is implemented for the binary variable 'contraceptive use' to produce true estimates for the significant determinants of contraceptive use in Bangladesh. Knowing such true estimates is important for attaining future goals including increasing contraception use from 62 to 75% by 2020 by the Bangladesh government's Health, Population & Nutrition Sector Development Program (HPNSDP).

Forecast Modelling via Variations in Binary Image-Encoded Information Exploited by Deep Learning Neural Networks.

PubMed

Liu, Da; Xu, Ming; Niu, Dongxiao; Wang, Shoukai; Liang, Sai

2016-01-01

Traditional forecasting models fit a function approximation from dependent invariables to independent variables. However, they usually get into trouble when date are presented in various formats, such as text, voice and image. This study proposes a novel image-encoded forecasting method that input and output binary digital two-dimensional (2D) images are transformed from decimal data. Omitting any data analysis or cleansing steps for simplicity, all raw variables were selected and converted to binary digital images as the input of a deep learning model, convolutional neural network (CNN). Using shared weights, pooling and multiple-layer back-propagation techniques, the CNN was adopted to locate the nexus among variations in local binary digital images. Due to the computing capability that was originally developed for binary digital bitmap manipulation, this model has significant potential for forecasting with vast volume of data. The model was validated by a power loads predicting dataset from the Global Energy Forecasting Competition 2012.

Forecast Modelling via Variations in Binary Image-Encoded Information Exploited by Deep Learning Neural Networks

PubMed Central

Xu, Ming; Niu, Dongxiao; Wang, Shoukai; Liang, Sai

2016-01-01

Traditional forecasting models fit a function approximation from dependent invariables to independent variables. However, they usually get into trouble when date are presented in various formats, such as text, voice and image. This study proposes a novel image-encoded forecasting method that input and output binary digital two-dimensional (2D) images are transformed from decimal data. Omitting any data analysis or cleansing steps for simplicity, all raw variables were selected and converted to binary digital images as the input of a deep learning model, convolutional neural network (CNN). Using shared weights, pooling and multiple-layer back-propagation techniques, the CNN was adopted to locate the nexus among variations in local binary digital images. Due to the computing capability that was originally developed for binary digital bitmap manipulation, this model has significant potential for forecasting with vast volume of data. The model was validated by a power loads predicting dataset from the Global Energy Forecasting Competition 2012. PMID:27281032

Dynamical Asteroseismology: towards improving the theories of stellar structure and (tidal) evolution

NASA Astrophysics Data System (ADS)

Tkachenko, Andrew

2017-10-01

The potential of the dynamical asteroseismology, the research area that builds upon the synergies between the asteroseismology and binary stars research fields, is discussed in this manuscript. We touch upon the following topics: i) the mass discrepancy observed in intermediate-to high-mass main-sequence and evolved binaries as well as in the low mass systems that are still in the pre-main sequence phase of their evolution; ii) the rotationally induced mixing in high-mass stars, in particular how the most recent theoretical predictions and spectroscopic findings compare to the results of asteroseismic investigations; iii) internal gravity waves and their potential role in the evolution of binary star systems and surface nitrogen enrichment in high-mass stars; iv) the tidal evolution theory, in particular how its predictions of spin-orbit synchronisation and orbital circularisation compare to the present-day high-quality observations; v) the tidally-induced pulsations and their role in the angular momentum transport within binary star systems; vi) the scaling relations between fundamental and seismic properties of stars across the entire HR-diagram.

R144: a very massive binary likely ejected from R136 through a binary-binary encounter

NASA Astrophysics Data System (ADS)

Oh, Seungkyung; Kroupa, Pavel; Banerjee, Sambaran

2014-02-01

R144 is a recently confirmed very massive, spectroscopic binary which appears isolated from the core of the massive young star cluster R136. The dynamical ejection hypothesis as an origin for its location is claimed improbable by Sana et al. due to its binary nature and high mass. We demonstrate here by means of direct N-body calculations that a very massive binary system can be readily dynamically ejected from an R136-like cluster, through a close encounter with a very massive system. One out of four N-body cluster models produces a dynamically ejected very massive binary system with a mass comparable to R144. The system has a system mass of ≈355 M⊙ and is located at 36.8 pc from the centre of its parent cluster, moving away from the cluster with a velocity of 57 km s-1 at 2 Myr as a result of a binary-binary interaction. This implies that R144 could have been ejected from R136 through a strong encounter with another massive binary or single star. In addition, we discuss all massive binaries and single stars which are ejected dynamically from their parent cluster in the N-body models.

Specific adsorption of cadmium on surface-engineered biocompatible organoclay under metal-phenanthrene mixed-contamination.

PubMed

Biswas, Bhabananda; Sarkar, Binoy; Mandal, Asit; Naidu, Ravi

2016-11-01

Bioremediation of polycyclic aromatic hydrocarbons (PAHs) is extremely challenging when they coexist with heavy metals. This constrain has led to adsorption-based techniques that help immobilize the metals and reduce toxicity. However, the adsorbents can also non-selectively bind the organic compounds, which reduces their bioavailability. In this study we developed a surface-engineered organoclay (Arquad ® 2HT-75-bentonite-palmitic acid) which enhanced bacterial proliferation and adsorbed cadmium, but elevated phenanthrene bioavailability. Adsorption models of single and binary solutes revealed that the raw bentonite adsorbed cadmium and phenanthrene non-selectively at the same binding sites and sequestrated phenanthrene. In contrast, cadmium selectively bound to the deprotonated state of carboxyl groups in the organoclay and phenanthrene on the outer surface of the adsorbent led to a microbially congenial microenvironment with a higher phenanthrene bioavailability. This study provided valuable information which would be highly important for developing a novel clay-modulated bioremediation technology for cleaning up PAHs under mixed-contaminated situations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Female-to-male transmasculine adult health: a mixed-methods community-based needs assessment.

PubMed

Reisner, Sari L; Gamarel, Kristi E; Dunham, Emilia; Hopwood, Ruben; Hwahng, Sel

2013-01-01

There is a dearth of health research about transgender people. This mixed-methods study sought to formatively investigate the health and perceived health needs of female-to-male transmasculine adults. A cross-sectional quantitative needs assessment (n = 73) and qualitative open-ended input (n = 19) were conducted in June 2011. A latent class analysis modeled six binary health indicators (depression, alcohol use, current smoking, asthma, physical inactivity, overweight status) to identify clusters of presenting health issues. Four clusters of health indicators emerged: (a) depression; (b) syndemic (all indicators); (c) alcohol use, overweight status; and (d) smoking, physical inactivity, overweight status. Transphobic discrimination in health care and avoiding care were each associated with membership in the syndemic class. Qualitative themes included personal health care needs, community needs, and resilience and protective factors. Findings fill an important gap about the health of transmasculine communities, including the need for public health efforts that holistically address concomitant health concerns.

Consideration of some dilute-solution phenomena based on an expression for the Gibbs free energy

NASA Astrophysics Data System (ADS)

Jonah, D. A.

1986-07-01

Rigorous expressions based on the Lennard-Jones (6 12) potential, are presented for the Gibbs and Helmholtz free energy of a dilute mixture. These expressions give the free energy of the mixture in terms of the thermodynamic properties of the pure solvent, thereby providing a convenient means of correlating dilute mixture behavior with that of the pure solvent. Expressions for the following dilute binary solution properties are derived: Henry's constant, limiting activity coefficients with their derivatives, solid solubilities in supercritical gases, and mixed second virial coefficients. The Henry's constant expression suggests a linear temperature dependence; application to solubility data for various gases in methane and water shows a good agreement between theory and experiment. In the thermodynamic modeling of supercritical fluid extraction, we have demonstrated how to predict new solubility-pressure isotherms from a given isotherm, with encouraging results. The mixed second virial coefficient expression has also been applied to experimental data; the agreement with theory is good.

RED GIANTS IN ECLIPSING BINARY AND MULTIPLE-STAR SYSTEMS: MODELING AND ASTEROSEISMIC ANALYSIS OF 70 CANDIDATES FROM KEPLER DATA

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

Gaulme, P.; McKeever, J.; Rawls, M. L.

2013-04-10

Red giant stars are proving to be an incredible source of information for testing models of stellar evolution, as asteroseismology has opened up a window into their interiors. Such insights are a direct result of the unprecedented data from space missions CoRoT and Kepler as well as recent theoretical advances. Eclipsing binaries are also fundamental astrophysical objects, and when coupled with asteroseismology, binaries provide two independent methods to obtain masses and radii and exciting opportunities to develop highly constrained stellar models. The possibility of discovering pulsating red giants in eclipsing binary systems is therefore an important goal that could potentiallymore » offer very robust characterization of these systems. Until recently, only one case has been discovered with Kepler. We cross-correlate the detected red giant and eclipsing-binary catalogs from Kepler data to find possible candidate systems. Light-curve modeling and mean properties measured from asteroseismology are combined to yield specific measurements of periods, masses, radii, temperatures, eclipse timing variations, core rotation rates, and red giant evolutionary state. After using three different techniques to eliminate false positives, out of the 70 systems common to the red giant and eclipsing-binary catalogs we find 13 strong candidates (12 previously unknown) to be eclipsing binaries, one to be a non-eclipsing binary with tidally induced oscillations, and 10 more to be hierarchical triple systems, all of which include a pulsating red giant. The systems span a range of orbital eccentricities, periods, and spectral types F, G, K, and M for the companion of the red giant. One case even suggests an eclipsing binary composed of two red giant stars and another of a red giant with a {delta}-Scuti star. The discovery of multiple pulsating red giants in eclipsing binaries provides an exciting test bed for precise astrophysical modeling, and follow-up spectroscopic observations of many of the candidate systems are encouraged. The resulting highly constrained stellar parameters will allow, for example, the exploration of how binary tidal interactions affect pulsations when compared to the single-star case.« less

Apatite-Melt Partitioning at 1 Bar: An Assessment of Apatite-Melt Exchange Equilibria Resulting from Non-Ideal Mixing of F and Cl in Apatite

NASA Technical Reports Server (NTRS)

McCubbin, F. M.; Ustunisik, G.; Vander Kaaden, K. E.

2016-01-01

The mineral apatite [Ca5(PO4)3(F,Cl,OH)] is present in a wide range of planetary materials. Due to the presence of volatiles within its crystal structure (X-site), many recent studies have attempted to use apatite to constrain the volatile contents of planetary magmas and mantle sources. In order to use the volatile contents of apatite to precisely determine the abundances of volatiles in coexisting silicate melt or fluids, thermodynamic models for the apatite solid solution and for the apatite components in multi-component silicate melts and fluids are required. Although some thermodynamic models for apatite have been developed, they are incomplete. Furthermore, no mixing model is available for all of the apatite components in silicate melts or fluids, especially for F and Cl components. Several experimental studies have investigated the apatite-melt and apatite-fluid partitioning behavior of F, Cl, and OH in terrestrial and planetary systems, which have determined that apatite-melt partitioning of volatiles are best described as exchange equilibria similar to Fe-Mg partitioning between olivine and silicate melt. However, McCubbin et al. recently reported that the exchange coefficients may vary in portions of apatite compositional space where F, Cl, and OH do not mix ideally in apatite. In particular, solution calorimetry data of apatite compositions along the F-Cl join exhibit substantial excess enthalpies of mixing. In the present study, we conducted apatite-melt partitioning experiments in evacuated, sealed silica-glass tubes at approximately 1 bar and 950-1050 degrees Centigrade on a synthetic Martian basalt composition equivalent to the basaltic shergottite Queen Alexandria Range (QUE) 94201. These experiments were conducted dry, at low pressure, to assess the effects of temperature and apatite composition on the partitioning behavior of F and Cl between apatite and basaltic melt along the F-Cl apatite binary join, where there is non-ideal mixing of F and Cl in apatite.

Effect of intrinsic curvature and edge tension on the stability of binary mixed-membrane three-junctions

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

Gardner, Jasmine M.; Abrams, Cameron F.; Deserno, Markus

We use a combination of coarse-grained molecular dynamics simulations and theoretical modeling to examine three-junctions in mixed lipid bilayer membranes. These junctions are localized defect lines in which three bilayers merge in such a way that each bilayer shares one monolayer with one of the other two bilayers. The resulting local morphology is non-lamellar, resembling the threefold symmetric defect lines in inverse hexagonal phases, but it regularly occurs during membrane fission and fusion events. We realize a system of junctions by setting up a honeycomb lattice, which in its primitive cell contains two hexagons and four three-line junctions, permitting usmore » to study their stability as well as their line tension. We specifically consider the effects of lipid composition and intrinsic curvature in binary mixtures, which contain a fraction of negatively curved lipids in a curvature-neutral background phase. Three-junction stability results from a competition between the junction and an open edge, which arises if one of the three bilayers detaches from the other two. We show that the stable phase is the one with the lower defect line tension. The strong and opposite monolayer curvatures present in junctions and edges enhance the mole fraction of negatively curved lipids in junctions and deplete it in edges. This lipid sorting affects the two line tensions and in turn the relative stability of the two phases. It also leads to a subtle entropic barrier for the transition between junction and edge that is absent in uniform membranes.« less

Effect of nanoparticles on heat capacity of nanofluids based on molten salts as PCM for thermal energy storage

PubMed Central

2013-01-01

In this study, different nanofluids with phase change behavior were developed by mixing a molten salt base fluid (selected as phase change material) with nanoparticles using the direct-synthesis method. The thermal properties of the nanofluids obtained were investigated. These nanofluids can be used in concentrating solar plants with a reduction of storage material if an improvement in the specific heat is achieved. The base salt mixture was a NaNO3-KNO3 (60:40 ratio) binary salt. The nanoparticles used were silica (SiO2), alumina (Al2O3), titania (TiO2), and a mix of silica-alumina (SiO2-Al2O3). Three weight fractions were evaluated: 0.5, 1.0, and 1.5 wt.%. Each nanofluid was prepared in water solution, sonicated, and evaporated. Measurements on thermophysical properties were performed by differential scanning calorimetry analysis and the dispersion of the nanoparticles was analyzed by scanning electron microscopy (SEM). The results obtained show that the addition of 1.0 wt.% of nanoparticles to the base salt increases the specific heat of 15% to 57% in the solid phase and of 1% to 22% in the liquid phase. In particular, this research shows that the addition of silica-alumina nanoparticles has a significant potential for enhancing the thermal storage characteristics of the NaNO3-KNO3 binary salt. These results deviated from the predictions of the theoretical model used. SEM suggests a greater interaction between these nanoparticles and the salt. PMID:24168168

Crossover in growth laws for phase-separating binary fluids: molecular dynamics simulations.

PubMed

Ahmad, Shaista; Das, Subir K; Puri, Sanjay

2012-03-01

Pattern and dynamics during phase separation in a symmetrical binary (A+B) Lennard-Jones fluid are studied via molecular dynamics simulations after quenching homogeneously mixed critical (50:50) systems to temperatures below the critical one. The morphology of the domains, rich in A or B particles, is observed to be bicontinuous. The early-time growth of the average domain size is found to be consistent with the Lifshitz-Slyozov law for diffusive domain coarsening. After a characteristic time, dependent on the temperature, we find a clear crossover to an extended viscous hydrodynamic regime where the domains grow linearly with time. Pattern formation in the present system is compared with that in solid binary mixtures, as a function of temperature. Important results for the finite-size and temperature effects on the small-wave-vector behavior of the scattering function are also presented.

Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, April-June 1986

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

Yesavage, V.F.; Kidnay, A.J.

Enthalpy measurements for the m-cresol/tetralin binary system, and the quinoline/tertralin binary system have been completed and are included. A calibration check on the calorimeter was performed and is presented in Appendix C. Vapor liquid equilibria measurements for the quinoline/tetralin system have been completed for four isotherms; 250, 275, 300, and 325/sup 0/C. These results and a summary of progress to date for the VLE apparatus are in the appendix at the end of this report. Also, preliminary work has begun on the quinoline/m-cresol/tetralin ternary system. Correlational work has consisted of the development of mathematical expressions for fugacity and enthalpy usingmore » various combinations of mixing rules and equations of state discussed in earlier reports. Also maximum likelihood routines has been written to determine the necessary parameters for binary data obtained in this investigation.« less

Simulations of binary black hole mergers

NASA Astrophysics Data System (ADS)

Lovelace, Geoffrey

2017-01-01

Advanced LIGO's observations of merging binary black holes have inaugurated the era of gravitational wave astronomy. Accurate models of binary black holes and the gravitational waves they emit are helping Advanced LIGO to find as many gravitational waves as possible and to learn as much as possible about the waves' sources. These models require numerical-relativity simulations of binary black holes, because near the time when the black holes merge, all analytic approximations break down. Following breakthroughs in 2005, many research groups have built numerical-relativity codes capable of simulating binary black holes. In this talk, I will discuss current challenges in simulating binary black holes for gravitational-wave astronomy, and I will discuss the tremendous progress that has already enabled such simulations to become an essential tool for Advanced LIGO.

Interfacing modeling suite Physics Of Eclipsing Binaries 2.0 with a Virtual Reality Platform

NASA Astrophysics Data System (ADS)

Harriett, Edward; Conroy, Kyle; Prša, Andrej; Klassner, Frank

2018-01-01

To explore alternate methods for modeling eclipsing binary stars, we extrapolate upon PHOEBE’s (PHysics Of Eclipsing BinariEs) capabilities in a virtual reality (VR) environment to create an immersive and interactive experience for users. The application used is Vizard, a python-scripted VR development platform for environments such as Cave Automatic Virtual Environment (CAVE) and other off-the-shelf VR headsets. Vizard allows the freedom for all modeling to be precompiled without compromising functionality or usage on its part. The system requires five arguments to be precomputed using PHOEBE’s python front-end: the effective temperature, flux, relative intensity, vertex coordinates, and orbits; the user can opt to implement other features from PHOEBE to be accessed within the simulation as well. Here we present the method for making the data observables accessible in real time. An Occulus Rift will be available for a live showcase of various cases of VR rendering of PHOEBE binary systems including detached and contact binary stars.

Analysis of Predominance of Sexual Reproduction and Quadruplicity of Bases by Computer Simulation

NASA Astrophysics Data System (ADS)

Dasgupta, Subinay

We have presented elsewhere a model for computer simulation of a colony of individuals reproducing sexually, by meiotic parthenogenesis and by cloning. Our algorithm takes into account food and space restriction, and attacks of some diseases. Each individual is characterized by a string of L ``base'' units, each of which can be of four types (quaternary model) or two types (binary model). Our previous report was for the case of L=12 (quaternary model) and L=24 (binary model) and contained the result that the fluctuation of population was the lowest for sexual reproduction with four types of base units. The present communication reports that the same conclusion also holds for L=10 (quaternary model) and L=20 (binary model), and for L=8 (quaternary model) and L=16 (binary model). This model however, suffers from the drawback that it does not show the effect of aging. A modification of the model was attempted to remove this drawback, but the results were not encouraging.

Adaptation of non-linear mixed amount with zero amount response surface model for analysis of concentration-dependent synergism and safety with midazolam, alfentanil, and propofol sedation.

PubMed

Liou, J-Y; Ting, C-K; Teng, W-N; Mandell, M S; Tsou, M-Y

2018-06-01

The non-linear mixed amount with zero amounts response surface model can be used to describe drug interactions and predict loss of response to noxious stimuli and respiratory depression. We aimed to determine whether this response surface model could be used to model sedation with the triple drug combination of midazolam, alfentanil and propofol. Sedation was monitored in 56 patients undergoing gastrointestinal endoscopy (modelling group) using modified alertness/sedation scores. A total of 227 combinations of effect-site concentrations were derived from pharmacokinetic models. Accuracy and the area under the receiver operating characteristic curve were calculated. Accuracy was defined as an absolute difference <0.5 between the binary patient responses and the predicted probability of loss of responsiveness. Validation was performed with a separate group (validation group) of 47 patients. Effect-site concentration ranged from 0 to 108 ng ml -1 for midazolam, 0-156 ng ml -1 for alfentanil, and 0-2.6 μg ml -1 for propofol in both groups. Synergy was strongest with midazolam and alfentanil (24.3% decrease in U 50 , concentration for half maximal drug effect). Adding propofol, a third drug, offered little additional synergy (25.8% decrease in U 50 ). Two patients (3%) experienced respiratory depression. Model accuracy was 83% and 76%, area under the curve was 0.87 and 0.80 for the modelling and validation group, respectively. The non-linear mixed amount with zero amounts triple interaction response surface model predicts patient sedation responses during endoscopy with combinations of midazolam, alfentanil, or propofol that fall within clinical use. Our model also suggests a safety margin of alfentanil fraction <0.12 that avoids respiratory depression after loss of responsiveness. Copyright © 2018 British Journal of Anaesthesia. Published by Elsevier Ltd. All rights reserved.

Comparison of mixed effects models of antimicrobial resistance metrics of livestock and poultry Salmonella isolates from a national monitoring system.

PubMed

Bjork, K E; Kopral, C A; Wagner, B A; Dargatz, D A

2015-12-01

Antimicrobial use in agriculture is considered a pathway for the selection and dissemination of resistance determinants among animal and human populations. From 1997 through 2003 the U.S. National Antimicrobial Resistance Monitoring System (NARMS) tested clinical Salmonella isolates from multiple animal and environmental sources throughout the United States for resistance to panels of 16-19 antimicrobials. In this study we applied two mixed effects models, the generalized linear mixed model (GLMM) and accelerated failure time frailty (AFT-frailty) model, to susceptible/resistant and interval-censored minimum inhibitory concentration (MIC) metrics, respectively, from Salmonella enterica subspecies enterica serovar Typhimurium isolates from livestock and poultry. Objectives were to compare characteristics of the two models and to examine the effects of time, species, and multidrug resistance (MDR) on the resistance of isolates to individual antimicrobials, as revealed by the models. Fixed effects were year of sample collection, isolate source species and MDR indicators; laboratory study site was included as a random effect. MDR indicators were significant for every antimicrobial and were dominant effects in multivariable models. Temporal trends and source species influences varied by antimicrobial. In GLMMs, the intra-class correlation coefficient ranged up to 0.8, indicating that the proportion of variance accounted for by laboratory study site could be high. AFT models tended to be more sensitive, detecting more curvilinear temporal trends and species differences; however, high levels of left- or right-censoring made some models unstable and results uninterpretable. Results from GLMMs may be biased by cutoff criteria used to collapse MIC data into binary categories, and may miss signaling important trends or shifts if the series of antibiotic dilutions tested does not span a resistance threshold. Our findings demonstrate the challenges of measuring the AMR ecosystem and the complexity of interacting factors, and have implications for future monitoring. We include suggestions for future data collection and analyses, including alternative modeling approaches. Published by Elsevier B.V.

Black Hole Mergers in Galactic Nuclei Induced by the Eccentric Kozai–Lidov Effect

NASA Astrophysics Data System (ADS)

Hoang, Bao-Minh; Naoz, Smadar; Kocsis, Bence; Rasio, Frederic A.; Dosopoulou, Fani

2018-04-01

Nuclear star clusters around a central massive black hole (MBH) are expected to be abundant in stellar black hole (BH) remnants and BH–BH binaries. These binaries form a hierarchical triple system with the central MBH, and gravitational perturbations from the MBH can cause high-eccentricity excitation in the BH–BH binary orbit. During this process, the eccentricity may approach unity, and the pericenter distance may become sufficiently small so that gravitational-wave emission drives the BH–BH binary to merge. In this work, we construct a simple proof-of-concept model for this process, and specifically, we study the eccentric Kozai–Lidov mechanism in unequal-mass, soft BH–BH binaries. Our model is based on a set of Monte Carlo simulations for BH–BH binaries in galactic nuclei, taking into account quadrupole- and octupole-level secular perturbations, general relativistic precession, and gravitational-wave emission. For a typical steady-state number of BH–BH binaries, our model predicts a total merger rate of ∼1–3 {Gpc} ‑3 {yr} ‑1, depending on the assumed density profile in the nucleus. Thus, our mechanism could potentially compete with other dynamical formation processes for merging BH–BH binaries, such as the interactions of stellar BHs in globular clusters or in nuclear star clusters without an MBH.

Robustness of third family solutions for hybrid stars against mixed phase effects

NASA Astrophysics Data System (ADS)

Ayriyan, A.; Bastian, N.-U.; Blaschke, D.; Grigorian, H.; Maslov, K.; Voskresensky, D. N.

2018-04-01

We investigate the robustness of third family solutions for hybrid compact stars with a quark matter core that correspond to the occurrence of high-mass twin stars against a softening of the phase transition by means of a construction that mimics the effects of pasta structures in the mixed phase. We consider a class of hybrid equations of state that exploits a relativistic mean-field model for the hadronic as well as for the quark matter phase. We present parametrizations that correspond to branches of high-mass twin star pairs with maximum masses between 2.05 M⊙ and 1.48 M⊙ having radius differences between 3.2 and 1.5 km, respectively. When compared to a Maxwell construction with a fixed value of critical pressure Pc, the effect of the mixed phase construction consists in the occurrence of a region of pressures around Pc belonging to the coexistence of hadronic and quark matter phases between the onset pressure at PH and the end of the transition at PQ. The maximum broadening which would still allow mass-twin compact stars is found to be (PQ-PH)max≈Pc for all parametrizations within the present class of models. At least the heavier of the neutron stars of the binary merger GW170817 could have been a member of the third family of hybrid stars. We present the example of another class of hybrid star equations of state for which the appearance of the third family branch is not as robust against mixed phase effects as that of the present work.

Quantitative genetic properties of four measures of deformity in yellowtail kingfish Seriola lalandi Valenciennes, 1833.

PubMed

Nguyen, N H; Whatmore, P; Miller, A; Knibb, W

2016-02-01

The main aim of this study was to estimate the heritability for four measures of deformity and their genetic associations with growth (body weight and length), carcass (fillet weight and yield) and flesh-quality (fillet fat content) traits in yellowtail kingfish Seriola lalandi. The observed major deformities included lower jaw, nasal erosion, deformed operculum and skinny fish on 480 individuals from 22 families at Clean Seas Tuna Ltd. They were typically recorded as binary traits (presence or absence) and were analysed separately by both threshold generalized models and standard animal mixed models. Consistency of the models was evaluated by calculating simple Pearson correlation of breeding values of full-sib families for jaw deformity. Genetic and phenotypic correlations among traits were estimated using a multitrait linear mixed model in ASReml. Both threshold and linear mixed model analysis showed that there is additive genetic variation in the four measures of deformity, with the estimates of heritability obtained from the former (threshold) models on liability scale ranging from 0.14 to 0.66 (SE 0.32-0.56) and from the latter (linear animal and sire) models on original (observed) scale, 0.01-0.23 (SE 0.03-0.16). When the estimates on the underlying liability were transformed to the observed scale (0, 1), they were generally consistent between threshold and linear mixed models. Phenotypic correlations among deformity traits were weak (close to zero). The genetic correlations among deformity traits were not significantly different from zero. Body weight and fillet carcass showed significant positive genetic correlations with jaw deformity (0.75 and 0.95, respectively). Genetic correlation between body weight and operculum was negative (-0.51, P < 0.05). The genetic correlations' estimates of body and carcass traits with other deformity were not significant due to their relatively high standard errors. Our results showed that there are prospects for genetic selection to improve deformity in yellowtail kingfish and that measures of deformity should be included in the recording scheme, breeding objectives and selection index in practical selective breeding programmes due to the antagonistic genetic correlations of deformed jaws with body and carcass performance. © 2015 John Wiley & Sons Ltd.

A Photometric Study of the Eclipsing Binary Star PY Boötis

NASA Astrophysics Data System (ADS)

Michaels, E. J.

2016-12-01

Presented here are the first precision multi-band CCD photometry of the eclipsing binary star PY Boötis. Best-fit stellar models were determined by analyzing the light curves with the Wilson-Devinney program. Asymmetries in the light curves were interpreted as resulting from magnetic activity which required spots to be included in the model. The resulting model is consistent with a W-type contact eclipsing binary having total eclipses.

Refractive index of liquid mixtures: theory and experiment.

PubMed

Reis, João Carlos R; Lampreia, Isabel M S; Santos, Angela F S; Moita, Maria Luísa C J; Douhéret, Gérard

2010-12-03

An innovative approach is presented to interpret the refractive index of binary liquid mixtures. The concept of refractive index "before mixing" is introduced and shown to be given by the volume-fraction mixing rule of the pure-component refractive indices (Arago-Biot formula). The refractive index of thermodynamically ideal liquid mixtures is demonstrated to be given by the volume-fraction mixing rule of the pure-component squared refractive indices (Newton formula). This theoretical formulation entails a positive change of refractive index upon ideal mixing, which is interpreted in terms of dissimilar London dispersion forces centred in the dissimilar molecules making up the mixture. For real liquid mixtures, the refractive index of mixing and the excess refractive index are introduced in a thermodynamic manner. Examples of mixtures are cited for which excess refractive indices and excess molar volumes show all of the four possible sign combinations, a fact that jeopardises the finding of a general equation linking these two excess properties. Refractive indices of 69 mixtures of water with the amphiphile (R,S)-1-propoxypropan-2-ol are reported at five temperatures in the range 283-303 K. The ideal and real refractive properties of this binary system are discussed. Pear-shaped plots of excess refractive indices against excess molar volumes show that extreme positive values of excess refractive index occur at a substantially lower mole fraction of the amphiphile than extreme negative values of excess molar volume. Analysis of these plots provides insights into the mixing schemes that occur in different composition segments. A nearly linear variation is found when Balankina's ratios between excess and ideal values of refractive indices are plotted against ratios between excess and ideal values of molar volumes. It is concluded that, when coupled with volumetric properties, the new thermodynamic functions defined for the analysis of refractive indices of liquid mixtures give important complementary information on the mixing process over the whole composition range.

Binary mixtures of condensates in generic confining potentials

NASA Astrophysics Data System (ADS)

Facchi, P.; Florio, G.; Pascazio, S.; Pepe, F. V.

2011-12-01

We study a binary mixture of Bose-Einstein condensates, confined in a generic potential, in the Thomas-Fermi approximation. We search for the zero-temperature ground state of the system, both in the case of fixed numbers of particles and fixed chemical potentials. For generic potentials, we analyze the transition from mixed to separated ground-state configurations as the inter-species interaction increases. We derive a simple formula that enables one to determine the location of the domain walls. Finally, we find criteria for the energetic stability of separated configurations, depending on the number and the position of the domain walls separating the two species.

Transport properties of nonelectrolyte mixtures. IX. Viscosity coefficients for acetonitrile and for three mixtures of toluene+acetonitrile from 25 to 100°c at pressures up to 500 MPa

NASA Astrophysics Data System (ADS)

Dymond, J. H.; Awan, M. A.; Glen, N. F.; Isdale, J. D.

1991-05-01

A two-coil self-centering falling-body viscometer has been used to measure viscosity coefficients for acetonitrile and three binary mixtures of toluene+ acetonitrile at 25, 50, 75, and 100°C and pressures up to 500 MPa. The results for acetonitrile can be interpreted by an approach based on hard-sphere theory, with a roughness factor of 1.46. The binary-mixture data are well represented by the Grunberg and Nissan equation with a mixing parameter which is pressure and temperature dependent but composition independent.

Enthalpies of a binary alloy during solidification

NASA Technical Reports Server (NTRS)

Poirier, D. R.; Nandapurkar, P.

1988-01-01

The purpose of the paper is to present a method of calculating the enthalpy of a dendritic alloy during solidification. The enthalpies of the dendritic solid and interdendritic liquid of alloys of the Pb-Sn system are evaluated, but the method could be applied to other binaries, as well. The enthalpies are consistent with a recent evaluation of the thermodynamics of Pb-Sn alloys and with the redistribution of solute in the same during dendritic solidification. Because of the heat of mixing in Pb-Sn alloys, the interdendritic liquid of hypoeutectic alloys (Pb-rich) of less than 50 wt pct Sn has enthalpies that increase as temperature decreases during solidification.

Interactions between selected bile salts and Triton X-100 or sodium lauryl ether sulfate.

PubMed

Cirin, Dejan M; Poša, Mihalj M; Krstonošić, Veljko S

2011-12-29

In order to develop colloidal drug carriers with desired properties, it is important to determine physico-chemical characteristics of these systems. Bile salt mixed micelles are extensively studied as novel drug delivery systems. The objective of the present investigation is to develop and characterize mixed micelles of nonionic (Triton X-100) or anionic (sodium lauryl ether sulfate) surfactant having oxyethylene groups in the polar head and following bile salts: cholate, deoxycholate and 7-oxodeoxycholate. The micellization behaviour of binary anionic-nonionic and anionic-anionic surfactant mixtures was investigated by conductivity and surface tension measurements. The results of the study have been analyzed using Clint's, Rubingh's, and Motomura's theories for mixed binary systems. The negative values of the interaction parameter indicate synergism between micelle building units. It was noticed that Triton X-100 and sodium lauryl ether sulfate generate the weakest synergistic interactions with sodium deoxycholate, while 7-oxodeoxycholate creates the strongest attractive interaction with investigated co-surfactants. It was concluded that increased synergistic interactions can be attributed to the larger number of hydrophilic groups at α side of the bile salts. Additionally, 7-oxo group of 7-oxodeoxycholate enhance attractive interactions with selected co-surfactants more than 7-hydroxyl group of sodium cholate.

Interactions between selected bile salts and Triton X-100 or sodium lauryl ether sulfate

PubMed Central

2011-01-01

Background In order to develop colloidal drug carriers with desired properties, it is important to determine physico-chemical characteristics of these systems. Bile salt mixed micelles are extensively studied as novel drug delivery systems. The objective of the present investigation is to develop and characterize mixed micelles of nonionic (Triton X-100) or anionic (sodium lauryl ether sulfate) surfactant having oxyethylene groups in the polar head and following bile salts: cholate, deoxycholate and 7-oxodeoxycholate. Results The micellization behaviour of binary anionic-nonionic and anionic-anionic surfactant mixtures was investigated by conductivity and surface tension measurements. The results of the study have been analyzed using Clint's, Rubingh's, and Motomura's theories for mixed binary systems. The negative values of the interaction parameter indicate synergism between micelle building units. It was noticed that Triton X-100 and sodium lauryl ether sulfate generate the weakest synergistic interactions with sodium deoxycholate, while 7-oxodeoxycholate creates the strongest attractive interaction with investigated co-surfactants. Conclusion It was concluded that increased synergistic interactions can be attributed to the larger number of hydrophilic groups at α side of the bile salts. Additionally, 7-oxo group of 7-oxodeoxycholate enhance attractive interactions with selected co-surfactants more than 7-hydroxyl group of sodium cholate. PMID:22206681

Planetary Ices and the Linear Mixing Approximation

DOE PAGES

Bethkenhagen, M.; Meyer, Edmund Richard; Hamel, S.; ...

2017-10-10

Here, the validity of the widely used linear mixing approximation (LMA) for the equations of state (EOSs) of planetary ices is investigated at pressure–temperature conditions typical for the interiors of Uranus and Neptune. The basis of this study is ab initio data ranging up to 1000 GPa and 20,000 K, calculated via density functional theory molecular dynamics simulations. In particular, we determine a new EOS for methane and EOS data for the 1:1 binary mixtures of methane, ammonia, and water, as well as their 2:1:4 ternary mixture. Additionally, the self-diffusion coefficients in the ternary mixture are calculated along three different Uranus interior profiles and compared to the values of the pure compounds. We find that deviations of the LMA from the results of the real mixture are generally small; for the thermal EOSs they amount to 4% or less. The diffusion coefficients in the mixture agree with those of the pure compounds within 20% or better. Finally, a new adiabatic model of Uranus with an inner layer of almost pure ices is developed. The model is consistent with the gravity field data and results in a rather cold interior (more » $${T}_{\\mathrm{core}}\\sim 4000$$ K).« less

Small area estimation of proportions with different levels of auxiliary data.

PubMed

Chandra, Hukum; Kumar, Sushil; Aditya, Kaustav

2018-03-01

Binary data are often of interest in many small areas of applications. The use of standard small area estimation methods based on linear mixed models becomes problematic for such data. An empirical plug-in predictor (EPP) under a unit-level generalized linear mixed model with logit link function is often used for the estimation of a small area proportion. However, this EPP requires the availability of unit-level population information for auxiliary data that may not be always accessible. As a consequence, in many practical situations, this EPP approach cannot be applied. Based on the level of auxiliary information available, different small area predictors for estimation of proportions are proposed. Analytic and bootstrap approaches to estimating the mean squared error of the proposed small area predictors are also developed. Monte Carlo simulations based on both simulated and real data show that the proposed small area predictors work well for generating the small area estimates of proportions and represent a practical alternative to the above approach. The developed predictor is applied to generate estimates of the proportions of indebted farm households at district-level using debt investment survey data from India. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Embedded binaries and their dense cores

NASA Astrophysics Data System (ADS)

Sadavoy, Sarah I.; Stahler, Steven W.

2017-08-01

We explore the relationship between young, embedded binaries and their parent cores, using observations within the Perseus Molecular Cloud. We combine recently published Very Large Array observations of young stars with core properties obtained from Submillimetre Common-User Bolometer Array 2 observations at 850 μm. Most embedded binary systems are found towards the centres of their parent cores, although several systems have components closer to the core edge. Wide binaries, defined as those systems with physical separations greater than 500 au, show a tendency to be aligned with the long axes of their parent cores, whereas tight binaries show no preferred orientation. We test a number of simple, evolutionary models to account for the observed populations of Class 0 and I sources, both single and binary. In the model that best explains the observations, all stars form initially as wide binaries. These binaries either break up into separate stars or else shrink into tighter orbits. Under the assumption that both stars remain embedded following binary break-up, we find a total star formation rate of 168 Myr-1. Alternatively, one star may be ejected from the dense core due to binary break-up. This latter assumption results in a star formation rate of 247 Myr-1. Both production rates are in satisfactory agreement with current estimates from other studies of Perseus. Future observations should be able to distinguish between these two possibilities. If our model continues to provide a good fit to other star-forming regions, then the mass fraction of dense cores that becomes stars is double what is currently believed.

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

Methodological quality and reporting of generalized linear mixed models in clinical medicine (2000-2012): a systematic review.

PubMed

Casals, Martí; Girabent-Farrés, Montserrat; Carrasco, Josep L

2014-01-01

Modeling count and binary data collected in hierarchical designs have increased the use of Generalized Linear Mixed Models (GLMMs) in medicine. This article presents a systematic review of the application and quality of results and information reported from GLMMs in the field of clinical medicine. A search using the Web of Science database was performed for published original articles in medical journals from 2000 to 2012. The search strategy included the topic "generalized linear mixed models","hierarchical generalized linear models", "multilevel generalized linear model" and as a research domain we refined by science technology. Papers reporting methodological considerations without application, and those that were not involved in clinical medicine or written in English were excluded. A total of 443 articles were detected, with an increase over time in the number of articles. In total, 108 articles fit the inclusion criteria. Of these, 54.6% were declared to be longitudinal studies, whereas 58.3% and 26.9% were defined as repeated measurements and multilevel design, respectively. Twenty-two articles belonged to environmental and occupational public health, 10 articles to clinical neurology, 8 to oncology, and 7 to infectious diseases and pediatrics. The distribution of the response variable was reported in 88% of the articles, predominantly Binomial (n = 64) or Poisson (n = 22). Most of the useful information about GLMMs was not reported in most cases. Variance estimates of random effects were described in only 8 articles (9.2%). The model validation, the method of covariate selection and the method of goodness of fit were only reported in 8.0%, 36.8% and 14.9% of the articles, respectively. During recent years, the use of GLMMs in medical literature has increased to take into account the correlation of data when modeling qualitative data or counts. According to the current recommendations, the quality of reporting has room for improvement regarding the characteristics of the analysis, estimation method, validation, and selection of the model.

Photometric Analysis and Modeling of Five Mass-Transferring Binary Systems

NASA Astrophysics Data System (ADS)

Geist, Emily; Beaky, Matthew; Jamison, Kate

2018-01-01

In overcontact eclipsing binary systems, both stellar components have overfilled their Roche lobes, resulting in a dumbbell-shaped shared envelope. Mass transfer is common in overcontact binaries, which can be observed as a slow change on the rotation period of the system.We studied five overcontact eclipsing binary systems with evidence of period change, and thus likely mass transfer between the components, identified by Nelson (2014): V0579 Lyr, KN Vul, V0406 Lyr, V2240 Cyg, and MS Her. We used the 31-inch NURO telescope at Lowell Observatory in Flagstaff, Arizona to obtain images in B,V,R, and I filters for V0579 Lyr, and the 16-inch Meade LX200GPS telescope with attached SBIG ST-8XME CCD camera at Juniata College in Huntingdon, Pennsylvania to image KN Vul, V0406 Lyr, V2240 Cyg, and MS Her, also in B,V,R, and I.After data reduction, we created light curves for each of the systems and modeled the eclipsing binaries using the BinaryMaker3 and PHOEBE programs to determine their fundamental physical parameters for the first time. Complete light curves and preliminary models for each of these neglected eclipsing binary systems will be presented.

Classification of Stellar Orbits in Axisymmetric Galaxies

NASA Astrophysics Data System (ADS)

Li, Baile; Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood

2015-09-01

It is known that two supermassive black holes (SMBHs) cannot merge in a spherical galaxy within a Hubble time; an emerging picture is that galaxy geometry, rotation, and large potential perturbations may usher the SMBH binary through the critical three-body scattering phase and ultimately drive the SMBH to coalesce. We explore the orbital content within an N-body model of a mildly flattened, non-rotating, SMBH-embedded elliptical galaxy. When used as the foundation for a study on the SMBH binary coalescence, the black holes bypassed the binary stalling often seen within spherical galaxies and merged on gigayear timescales. Using both frequency-mapping and angular momentum criteria, we identify a wealth of resonant orbits in the axisymmetric model, including saucers, that are absent from an otherwise identical spherical system and that can potentially interact with the binary. We quantified the set of orbits that could be scattered by the SMBH binary, and found that the axisymmetric model contained nearly six times the number of these potential loss cone orbits compared to our equivalent spherical model. In this flattened model, the mass of these orbits is more than three times that of the SMBH, which is consistent with what the SMBH binary needs to scatter to transition into the gravitational wave regime.

CLASSIFICATION OF STELLAR ORBITS IN AXISYMMETRIC GALAXIES

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

Li, Baile; Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood, E-mail: baile.li@vanderbilt.edu, E-mail: k.holley@vanderbilt.edu, E-mail: khanfazeel.ist@gmail.com

2015-09-20

It is known that two supermassive black holes (SMBHs) cannot merge in a spherical galaxy within a Hubble time; an emerging picture is that galaxy geometry, rotation, and large potential perturbations may usher the SMBH binary through the critical three-body scattering phase and ultimately drive the SMBH to coalesce. We explore the orbital content within an N-body model of a mildly flattened, non-rotating, SMBH-embedded elliptical galaxy. When used as the foundation for a study on the SMBH binary coalescence, the black holes bypassed the binary stalling often seen within spherical galaxies and merged on gigayear timescales. Using both frequency-mapping andmore » angular momentum criteria, we identify a wealth of resonant orbits in the axisymmetric model, including saucers, that are absent from an otherwise identical spherical system and that can potentially interact with the binary. We quantified the set of orbits that could be scattered by the SMBH binary, and found that the axisymmetric model contained nearly six times the number of these potential loss cone orbits compared to our equivalent spherical model. In this flattened model, the mass of these orbits is more than three times that of the SMBH, which is consistent with what the SMBH binary needs to scatter to transition into the gravitational wave regime.« less

Accuracy of inference on the physics of binary evolution from gravitational-wave observations

NASA Astrophysics Data System (ADS)

Barrett, Jim W.; Gaebel, Sebastian M.; Neijssel, Coenraad J.; Vigna-Gómez, Alejandro; Stevenson, Simon; Berry, Christopher P. L.; Farr, Will M.; Mandel, Ilya

2018-04-01

The properties of the population of merging binary black holes encode some of the uncertain physics underlying the evolution of massive stars in binaries. The binary black hole merger rate and chirp-mass distribution are being measured by ground-based gravitational-wave detectors. We consider isolated binary evolution, and explore how accurately the physical model can be constrained with such observations by applying the Fisher information matrix to the merging black hole population simulated with the rapid binary-population synthesis code COMPAS. We investigate variations in four COMPAS parameters: common-envelope efficiency, kick-velocity dispersion, and mass-loss rates during the luminous blue variable and Wolf-Rayet stellar-evolutionary phases. We find that ˜1000 observations would constrain these model parameters to a fractional accuracy of a few per cent. Given the empirically determined binary black hole merger rate, we can expect gravitational-wave observations alone to place strong constraints on the physics of stellar and binary evolution within a few years. Our approach can be extended to use other observational data sets; combining observations at different evolutionary stages will lead to a better understanding of stellar and binary physics.

Accuracy of inference on the physics of binary evolution from gravitational-wave observations

NASA Astrophysics Data System (ADS)

Barrett, Jim W.; Gaebel, Sebastian M.; Neijssel, Coenraad J.; Vigna-Gómez, Alejandro; Stevenson, Simon; Berry, Christopher P. L.; Farr, Will M.; Mandel, Ilya

2018-07-01

The properties of the population of merging binary black holes encode some of the uncertain physics underlying the evolution of massive stars in binaries. The binary black hole merger rate and chirp-mass distribution are being measured by ground-based gravitational-wave detectors. We consider isolated binary evolution, and explore how accurately the physical model can be constrained with such observations by applying the Fisher information matrix to the merging black hole population simulated with the rapid binary-population synthesis code COMPAS. We investigate variations in four COMPAS parameters: common-envelope efficiency, kick-velocity dispersion and mass-loss rates during the luminous blue variable, and Wolf-Rayet stellar-evolutionary phases. We find that ˜1000 observations would constrain these model parameters to a fractional accuracy of a few per cent. Given the empirically determined binary black hole merger rate, we can expect gravitational-wave observations alone to place strong constraints on the physics of stellar and binary evolution within a few years. Our approach can be extended to use other observational data sets; combining observations at different evolutionary stages will lead to a better understanding of stellar and binary physics.

Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing.

PubMed

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D

2014-10-01

We treat multireader multicase (MRMC) reader studies for which a reader's diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities ([Formula: see text]). This model can be used to validate the coverage probabilities of 95% confidence intervals (of [Formula: see text], [Formula: see text], or [Formula: see text] when [Formula: see text]), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes [Formula: see text]). To illustrate the utility of our simulation model, we adapt the Obuchowski-Rockette-Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data.

Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing

PubMed Central

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D.

2014-01-01

Abstract. We treat multireader multicase (MRMC) reader studies for which a reader’s diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities (P1=P2). This model can be used to validate the coverage probabilities of 95% confidence intervals (of P1, P2, or P1−P2 when P1−P2=0), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes P1=P2). To illustrate the utility of our simulation model, we adapt the Obuchowski–Rockette–Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data. PMID:26158051

Headspace quantification of pure and aqueous solutions of binary mixtures of key volatile organic compounds in Swiss cheeses using selected ion flow tube mass spectrometry.

PubMed

Castada, Hardy Z; Wick, Cheryl; Harper, W James; Barringer, Sheryl

2015-01-15

Twelve volatile organic compounds (VOCs) have recently been identified as key compounds in Swiss cheese with split defects. It is important to know how these VOCs interact in binary mixtures and if their behavior changes with concentration in binary mixtures. Selected ion flow tube mass spectrometry (SIFT-MS) was used for the headspace analysis of VOCs commonly found in Swiss cheeses. Headspace (H/S) sampling and quantification checks using SIFT-MS and further linear regression analyses were carried out on twelve selected aqueous solutions of VOCs. Five binary mixtures of standard solutions of VOCs were also prepared and the H/S profile of each mixture was analyzed. A very good fit of linearity for the twelve VOCs (95% confidence level) confirms direct proportionality between the H/S and the aqueous concentration of the standard solutions. Henry's Law coefficients were calculated with a high degree of confidence. SIFT-MS analysis of five binary mixtures showed that the more polar compounds reduced the H/S concentration of the less polar compounds, while the addition of a less polar compound increased the H/S concentration of the more polar compound. In the binary experiment, it was shown that the behavior of a compound in the headspace can be significantly affected by the presence of another compound. Thus, the matrix effect plays a significant role in the behavior of molecules in a mixed solution. Copyright © 2014 John Wiley & Sons, Ltd.

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

The coefficient of determination R2 and intra-class correlation coefficient from generalized linear mixed-effects models revisited and expanded.

PubMed

Nakagawa, Shinichi; Johnson, Paul C D; Schielzeth, Holger

2017-09-01

The coefficient of determination R 2 quantifies the proportion of variance explained by a statistical model and is an important summary statistic of biological interest. However, estimating R 2 for generalized linear mixed models (GLMMs) remains challenging. We have previously introduced a version of R 2 that we called [Formula: see text] for Poisson and binomial GLMMs, but not for other distributional families. Similarly, we earlier discussed how to estimate intra-class correlation coefficients (ICCs) using Poisson and binomial GLMMs. In this paper, we generalize our methods to all other non-Gaussian distributions, in particular to negative binomial and gamma distributions that are commonly used for modelling biological data. While expanding our approach, we highlight two useful concepts for biologists, Jensen's inequality and the delta method, both of which help us in understanding the properties of GLMMs. Jensen's inequality has important implications for biologically meaningful interpretation of GLMMs, whereas the delta method allows a general derivation of variance associated with non-Gaussian distributions. We also discuss some special considerations for binomial GLMMs with binary or proportion data. We illustrate the implementation of our extension by worked examples from the field of ecology and evolution in the R environment. However, our method can be used across disciplines and regardless of statistical environments. © 2017 The Author(s).

Evaluation of natural organic matter adsorption on Fe-Al binary oxide: Comparison with single metal oxides.

PubMed

Kim, Kyung-Jo; Jang, Am

2017-10-01

The adsorption characteristics of three types of standard natural organic matter (NOM) on iron-aluminum (Fe-Al) binary oxide (FAO) and heated aluminum oxide (HAO) under natural surface water condition were investigated using various adsorption isotherms and kinetic models. FAO was synthesized by Fe oxide and Al oxide, mixed using the sol-gel hydrothermal method, and aluminum sulfate was used to make HAO. The amount of adsorbed NOM was increased to 79.6 mg g -1 for humic acid (HA), 101.1 mg g -1 for sodium alginate (SA) in the FAO, but the maximum adsorption capacity of bovine serum albumin (BSA) (461.3 mg g -1 ) was identified on the HAO. The adsorption of HA, BSA, and SA dramatically increased (>70%) on FAO in 5 min and HA was significantly removed (90%) among the three NOM. Mutual interaction among the adsorbed NOM (BSA) occurred on the HAO surface during adsorption due to formation of monolayer by protein molecules at neutral pH. The pseudo second order clearly represented the adsorption kinetics for both adsorbents. The equilibrium isotherm data of FAO was better exhibited by the Langmuir isotherm model than by the Freundlich isotherm, but HAO was a slightly non-linear Langmuir type. Also, the free energy, enthalpy, and entropy of adsorption were determined from the thermodynamic experiments. Adsorption on FAO was spontaneous and an exothermic process. Fluorescence excitation-emission matrix (FEEM) spectra were used to elucidate the variation in organic components. The results obtained suggests that the significant changes in the surface property of the adsorbent (large surface area, increased crystalline intensity, and fine particle size) were effectively determined by the Fe-synthesized Al oxide mixed using the sol-gel hydrothermal method. The results also suggest that the changes enhanced the adsorption capacity, whereby three NOM were notably removed on FAO regardless of NOM characteristics (hydrophobic and hydrophilic). Copyright © 2017 Elsevier Ltd. All rights reserved.

Genetic factors controlling wool shedding in a composite Easycare sheep flock.

PubMed

Matika, O; Bishop, S C; Pong-Wong, R; Riggio, V; Headon, D J

2013-12-01

Historically, sheep have been selectively bred for desirable traits including wool characteristics. However, recent moves towards extensive farming and reduced farm labour have seen a renewed interest in Easycare breeds. The aim of this study was to quantify the underlying genetic architecture of wool shedding in an Easycare flock. Wool shedding scores were collected from 565 pedigreed commercial Easycare sheep from 2002 to 2010. The wool scoring system was based on a 10-point (0-9) scale, with score 0 for animals retaining full fleece and 9 for those completely shedding. DNA was sampled from 200 animals of which 48 with extreme phenotypes were genotyped using a 50-k SNP chip. Three genetic analyses were performed: heritability analysis, complex segregation analysis to test for a major gene hypothesis and a genome-wide association study to map regions in the genome affecting the trait. Phenotypes were treated as a continuous or binary variable and categories. High estimates of heritability (0.80 when treated as a continuous, 0.65-0.75 as binary and 0.75 as categories) for shedding were obtained from linear mixed model analyses. Complex segregation analysis gave similar estimates (0.80 ± 0.06) to those above with additional evidence for a major gene with dominance effects. Mixed model association analyses identified four significant (P < 0.05) SNPs. Further analyses of these four SNPs in all 200 animals revealed that one of the SNPs displayed dominance effects similar to those obtained from the complex segregation analyses. In summary, we found strong genetic control for wool shedding, demonstrated the possibility of a single putative dominant gene controlling this trait and identified four SNPs that may be in partial linkage disequilibrium with gene(s) controlling shedding. © 2013 University of Edinburgh, Animal Genetics © 2013 Stichting International Foundation for Animal Genetics.

Mixed ligand complexation of some transition metal ions in solution and solid state: Spectral characterization, antimicrobial, antioxidant, DNA cleavage activities and molecular modeling

NASA Astrophysics Data System (ADS)

Shobana, Sutha; Dharmaraja, Jeyaprakash; Selvaraj, Shanmugaperumal

2013-04-01

Equilibrium studies of Ni(II), Cu(II) and Zn(II) mixed ligand complexes involving a primary ligand 5-fluorouracil (5-FU; A) and imidazoles viz., imidazole (him), benzimidazole (bim), histamine (hist) and L-histidine (his) as co-ligands(B) were carried out pH-metrically in aqueous medium at 310 ± 0.1 K with I = 0.15 M (NaClO4). In solution state, the stoichiometry of MABH, MAB and MAB2 species have been detected. The primary ligand(A) binds the central M(II) ions in a monodentate manner whereas him, bim, hist and his co-ligands(B) bind in mono, mono, bi and tridentate modes respectively. The calculated Δ log K, log X and log X' values indicate higher stability of the mixed ligand complexes in comparison to binary species. Stability of the mixed ligand complex equilibria follows the Irving-Williams order of stability. In vitro biological evaluations of the free ligand(A) and their metal complexes by well diffusion technique show moderate activities against common bacterial and fungal strains. Oxidative cleavage interaction of ligand(A) and their copper complexes with CT DNA is also studied by gel electrophoresis method in the presence of oxidant. In vitro antioxidant evaluations of the primary ligand(A), CuA and CuAB complexes by DPPH free radical scavenging model were carried out. In solid, the MAB type of M(II)sbnd 5-FU(A)sbnd his(B) complexes were isolated and characterized by various physico-chemical and spectral techniques. Both the magnetic susceptibility and electronic spectral analysis suggest distorted octahedral geometry. Thermal studies on the synthesized mixed ligand complexes show loss of coordinated water molecule in the first step followed by decomposition of the organic residues subsequently. XRD and SEM analysis suggest that the microcrystalline nature and homogeneous morphology of MAB complexes. Further, the 3D molecular modeling and analysis for the mixed ligand MAB complexes have also been carried out.

Equilibrium, stability, and orbital evolution of close binary systems

NASA Technical Reports Server (NTRS)

Lai, Dong; Rasio, Frederic A.; Shapiro, Stuart L.

1994-01-01

We present a new analytic study of the equilibrium and stability properties of close binary systems containing polytropic components. Our method is based on the use of ellipsoidal trial functions in an energy variational principle. We consider both synchronized and nonsynchronized systems, constructing the compressible generalizations of the classical Darwin and Darwin-Riemann configurations. Our method can be applied to a wide variety of binary models where the stellar masses, radii, spins, entropies, and polytropic indices are all allowed to vary over wide ranges and independently for each component. We find that both secular and dynamical instabilities can develop before a Roche limit or contact is reached along a sequence of models with decreasing binary separation. High incompressibility always makes a given binary system more susceptible to these instabilities, but the dependence on the mass ratio is more complicated. As simple applications, we construct models of double degenerate systems and of low-mass main-sequence star binaries. We also discuss the orbital evoltuion of close binary systems under the combined influence of fluid viscosity and secular angular momentum losses from processes like gravitational radiation. We show that the existence of global fluid instabilities can have a profound effect on the terminal evolution of coalescing binaries. The validity of our analytic solutions is examined by means of detailed comparisons with the results of recent numerical fluid calculations in three dimensions.

Sensing specific adhesion of liposomal and micellar systems with attached carbohydrate recognition structures at lectin surfaces.

PubMed

Hildebrand, Annegret; Schaedlich, Anita; Rothe, Ulrich; Neubert, Reinhard H H

2002-05-15

A quartz crystal microbalance was used to investigate the adsorption behavior of liposomes and mixed micelles with attached carbohydrate recognition structures at lectin-coated quartz plates. With a self-assembly technique, the quartz was coated with the lectin Concanavalin A. In a first attempt, liposomes of natural soybean PC as well as synthetic POPC, containing 10% reactive N-Glut-PE each, were decorated with a mannopyranoside recognition structure to investigate the specific adsorption at the lectin-coated quartz surface in dependence on the concentration. In a second model, the bile salt sodium cholate was introduced to solubilize the mannopyranoside-modified liposomes and to transform them into mannopyranoside-modified binary mixed micelles. The adsorption of these micelles was further investigated. In a third approach, the adsorption behavior of mannopyranoside-modified ternary mixed bile salt-phosphatidylcholine-fatty acid micelles was characterized with sodium laurate, palmitate, and oleate as fatty acids. The micelles with oleate showed only a small frequency decrease, whereas the micelles with laurate and palmitate induced higher frequency changes. A dependence on the alkyl chain length could be detected. While the adsorption of liposomes containing recognition structures at QCM surfaces is nowadays well-established, the QCM detection of the adsorption of mixed bile salt micelles, transformed from these liposomes by solubilization, is a novel and very promising field for the development of innovative colloidal drug delivery systems.

KEPLER ECLIPSING BINARIES WITH DELTA SCUTI/GAMMA DORADUS PULSATING COMPONENTS. I. KIC 9851944

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

Guo, Zhao; Gies, Douglas R.; Matson, Rachel A.

2016-07-20

KIC 9851944 is a short-period ( P = 2.16 days) eclipsing binary in the Kepler field of view. By combining the analysis of Kepler photometry and phase-resolved spectra from Kitt Peak National Observatory and Lowell Observatory, we determine the atmospheric and physical parameters of both stars. The two components have very different radii (2.27 R {sub ⊙}, 3.19 R {sub ⊙}) but close masses (1.76 M {sub ⊙}, 1.79 M {sub ⊙}) and effective temperatures (7026, 6902 K), indicating different evolutionary stages. The hotter primary is still on the main sequence (MS), while the cooler and larger secondary star hasmore » evolved to the post-MS, burning hydrogen in a shell. A comparison with coeval evolutionary models shows that it requires solar metallicity and a higher mass ratio to fit the radii and temperatures of both stars simultaneously. Both components show δ Scuti-type pulsations, which we interpret as p -modes and p and g mixed modes. After a close examination of the evolution of δ Scuti pulsational frequencies, we make a comparison of the observed frequencies with those calculated from MESA/GYRE.« less

Study on property and stability mechanism of LAB-AEO-4 system

NASA Astrophysics Data System (ADS)

Song, Kaifei; Ge, Jijiang; Wang, Yang; Zhang, Guicai; Jiang, Ping

2017-04-01

The behaviors of binary blending systems of fatty alcohol polyoxyethylene ether (AEO-4) blended with the laurel amide betaine (LAB) was investigated at 80°C,the results indicated that the optimal ratio of the mixed system of LAB-AEO-4 was 5:2. The stability mechanism of LAB-AEO-4 system was analyzed from three aspects of dynamic surface tension,gas permeation rate and surface rheology.The results showed that the tension of mixed system was easier to achieve balance,the constant of gas permeation rate of the mixed system decreased by about 7% and the elastic modulus and dilational modulus increased by about 2 times compared with the single LAB system.

A high yield reverse micelle synthesis of catalysts and catalyst precursors

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

Linehan, J.C.; Matson, D.W.; Darab, J.G.

1995-04-01

Reverse micelles or water-in-oil microemulsions have been prepared using a mixed AOT/SDS surfactant to increase the stability of the microemulsion and thereby allow a high loading of particle-forming precursors in the aqueous cores. The Modified Reverse Micelles (MRM), as these new binary surfactant microemulsions are called, have proven useful for the laboratory-scale synthesis of nanoscale metals, metal oxides, metal sulfides, and mixed metal materials. The system allows control over the phase and size of the precipitated crystallites and is ideal for producing nanocrystalline powders and suspensions.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-03-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

First photometric study of two southern eclipsing binaries IS Tel and DW Aps

NASA Astrophysics Data System (ADS)

Özer, S.; Sürgit, D.; Erdem, A.; Öztürk, O.

2017-02-01

The paper presents the first photometric analysis of two southern eclipsing binary stars, IS Tel and DW Aps. Their V light curves from the All Sky Automated Survey were modelled by using Wilson-Devinney method. The final models give these two Algol-like binary stars as having detached configurations. Absolute parameters of the components of the systems were also estimated.

Binary versus non-binary information in real time series: empirical results and maximum-entropy matrix models

NASA Astrophysics Data System (ADS)

Almog, Assaf; Garlaschelli, Diego

2014-09-01

The dynamics of complex systems, from financial markets to the brain, can be monitored in terms of multiple time series of activity of the constituent units, such as stocks or neurons, respectively. While the main focus of time series analysis is on the magnitude of temporal increments, a significant piece of information is encoded into the binary projection (i.e. the sign) of such increments. In this paper we provide further evidence of this by showing strong nonlinear relations between binary and non-binary properties of financial time series. These relations are a novel quantification of the fact that extreme price increments occur more often when most stocks move in the same direction. We then introduce an information-theoretic approach to the analysis of the binary signature of single and multiple time series. Through the definition of maximum-entropy ensembles of binary matrices and their mapping to spin models in statistical physics, we quantify the information encoded into the simplest binary properties of real time series and identify the most informative property given a set of measurements. Our formalism is able to accurately replicate, and mathematically characterize, the observed binary/non-binary relations. We also obtain a phase diagram allowing us to identify, based only on the instantaneous aggregate return of a set of multiple time series, a regime where the so-called ‘market mode’ has an optimal interpretation in terms of collective (endogenous) effects, a regime where it is parsimoniously explained by pure noise, and a regime where it can be regarded as a combination of endogenous and exogenous factors. Our approach allows us to connect spin models, simple stochastic processes, and ensembles of time series inferred from partial information.

Hunting for brown dwarf binaries with X-Shooter

NASA Astrophysics Data System (ADS)

Manjavacas, E.; Goldman, B.; Alcalá, J. M.; Zapatero-Osorio, M. R.; Béjar, B. J. S.; Homeier, D.; Bonnefoy, M.; Smart, R. L.; Henning, T.; Allard, F.

2015-05-01

The refinement of the brown dwarf binary fraction may contribute to the understanding of the substellar formation mechanisms. Peculiar brown dwarf spectra or discrepancy between optical and near-infrared spectral type classification of brown dwarfs may indicate unresolved brown dwarf binary systems. We obtained medium-resolution spectra of 22 brown dwarfs of potential binary candidates using X-Shooter at the VLT. We aimed to select brown dwarf binary candidates. We also tested whether BT-Settl 2014 atmospheric models reproduce the physics in the atmospheres of these objects. To find different spectral type spectral binaries, we used spectral indices and we compared the selected candidates to single spectra and composition of two single spectra from libraries, to try to reproduce our X-Shooter spectra. We also created artificial binaries within the same spectral class, and we tried to find them using the same method as for brown dwarf binaries with different spectral types. We compared our spectra to the BT-Settl models 2014. We selected six possible candidates to be combination of L plus T brown dwarfs. All candidates, except one, are better reproduced by a combination of two single brown dwarf spectra than by a single spectrum. The one-sided F-test discarded this object as a binary candidate. We found that we are not able to find the artificial binaries with components of the same spectral type using the same method used for L plus T brown dwarfs. Best matches to models gave a range of effective temperatures between 950 K and 1900 K, a range of gravities between 4.0 and 5.5. Some best matches corresponded to supersolar metallicity.

Observational properties of massive black hole binary progenitors

NASA Astrophysics Data System (ADS)

Hainich, R.; Oskinova, L. M.; Shenar, T.; Marchant, P.; Eldridge, J. J.; Sander, A. A. C.; Hamann, W.-R.; Langer, N.; Todt, H.

2018-01-01

Context. The first directly detected gravitational waves (GW 150914) were emitted by two coalescing black holes (BHs) with masses of ≈ 36 M⊙ and ≈ 29 M⊙. Several scenarios have been proposed to put this detection into an astrophysical context. The evolution of an isolated massive binary system is among commonly considered models. Aims: Various groups have performed detailed binary-evolution calculations that lead to BH merger events. However, the question remains open as to whether binary systems with the predicted properties really exist. The aim of this paper is to help observers to close this gap by providing spectral characteristics of massive binary BH progenitors during a phase where at least one of the companions is still non-degenerate. Methods: Stellar evolution models predict fundamental stellar parameters. Using these as input for our stellar atmosphere code (Potsdam Wolf-Rayet), we compute a set of models for selected evolutionary stages of massive merging BH progenitors at different metallicities. Results: The synthetic spectra obtained from our atmosphere calculations reveal that progenitors of massive BH merger events start their lives as O2-3V stars that evolve to early-type blue supergiants before they undergo core-collapse during the Wolf-Rayet phase. When the primary has collapsed, the remaining system will appear as a wind-fed high-mass X-ray binary. Based on our atmosphere models, we provide feedback parameters, broad band magnitudes, and spectral templates that should help to identify such binaries in the future. Conclusions: While the predicted parameter space for massive BH binary progenitors is partly realized in nature, none of the known massive binaries match our synthetic spectra of massive BH binary progenitors exactly. Comparisons of empirically determined mass-loss rates with those assumed by evolution calculations reveal significant differences. The consideration of the empirical mass-loss rates in evolution calculations will possibly entail a shift of the maximum in the predicted binary-BH merger rate to higher metallicities, that is, more candidates should be expected in our cosmic neighborhood than previously assumed.

Testing Binary Mixing Models for Lavas Erupted Along the Reykjanes Ridge: Insights From C-He Relationships

NASA Astrophysics Data System (ADS)

de Leeuw, G. A.; Hilton, D. R.; Shaw, A. M.; Murton, B. J.; Taylor, R. N.

2002-12-01

We report new CO2 abundance and isotope data for 36 basalt glasses erupted along the Reykjanes Ridge between latitudes 57.5 and 63°N. Lavas can be divided into (a) water-rich samples (~0.4 wt.%), erupted at depths < 775m north of 61.5°N, and (b) samples with water ~ 0.2 wt.%, erupted at depths of 620 - 2060 m and located between 57.5 and 61.5°N. Based upon He-Pb isotope systematics (Hilton et al., EPSL, 2000), deeper samples (category b) lie along binary mixing trajectories between plume-like (3He/4He ~ 30RA; 206Pb/204Pb ~ 18.7) and MORB-like endmembers (3He/4He ~ 8RA; 206Pb/204Pb ~ 18.0). Shallow samples (category a) do not fall on mixing trajectories: consistent with volatile loss followed by addition of a crustal contaminant, resulting in lower 3He/4He ratios. The aim of this study is to test whether binary mixing trends are observed using C-He relationships. All samples were analyzed using incremental heating techniques which allows for resolution of vesicle-sited CO2 from CO2 dissolved within the glass matrix. Results show that samples north of 61.5 °N (category a) have low CO2 contents in both the vesicle (2-37 ppm) and dissolved (15-61 ppm) phases. The isotopic composition of the CO2 varies between -8 and -34‰ (vesicle) and -6 and -10‰ (glass). The combined effect of low CO2 concentrations and low δ13C values are consistent with extensive gas loss +/- contamination of volatile-poor magmas with an isotopically-light C component. In contrast, samples in category b have significantly higher CO2 abundances (vesicles: 7-318 ppm; glass: 9-200 ppm) and higher and less variable δ13C values (vesicles: -5 to -26‰ ; glass: -4 to -11‰ ). This suggests that category b samples have not been subjected to the same degree of degassing and/or contamination as samples in category a. By combining the vesicle-sited CO2 abundances with He-contents determined by crushing (Hilton, op. cit), CO2/3He ratios for the vesicle phase can be derived. We observe high ratios (3x109 to 2x1010) in the more degassed category a samples. Category b CO2/3He ratios show a trend from low CO2/3He values (3x108) and MORB-like 206Pb/204Pb to high CO2/3He values (up to 2x1010) and more radiogenic 206Pb/204Pb. There are two possible explanations for the observed trends: 1) degassing followed by contamination with a high CO2/3He crustal component. This process controls C-He relationships in low concentration (highly degassed) samples close to Iceland. 2) mixing between a MORB-like source (CO2/3He ~ 2x109) and an enriched source with a higher initial CO2/3He value. This process controls samples in category b.

Unravelling the Composition Dependent Anomalies of Pair Hydrophobicity in Water-Ethanol Binary Mixtures.

PubMed

Halder, Ritaban; Jana, Biman

2018-06-05

Aqueous binary mixtures have received immense attention in recent years because of their extensive application in several biological and industrial processes. Water-ethanol binary mixture serves as a unique system because it exhibits composition dependent alteration of dynamic and thermodynamic properties. Our present work demonstrates how different compositions of water-ethanol binary mixtures affect the pair hydrophobicity of different hydrophobes. Pair hydrophobicity is measured by the depth of the first minimum (contact minima) of potential of mean force (PMF) profile between two hydrophobes. The pair hydrophobicity is found to be increased with addition of ethanol to water up to mole fraction of 0.10 and decreased with further addition of ethanol. This observation is shown to be true for three different pairs of hydrophobes. Decomposition of PMF into enthalpic and entropic contribution indicates a switch from entropic to enthalpic stabilization of the contact minimum upon addition of ethanol to water. The gain in mixing enthalpy of the binary solvent system upon association of two hydrophobes is found to be the determining factor for the stabilization of contact minimum. Several static/dynamics quantities (average composition fluctuations, diffusion coefficients, fluctuations in total dipole moment, propensity of ethyl-ethyl association, etc) of the ethanol-water binary mixture also show irregularities around xEtOH =0.10-0.15. We have also discovered that the hydrogen bonding pattern of ethanol rather than water reveals a change in trend near the similar composition range. As the anomalous behaviour of the physical/dynamical properties along with the pair hydrophobicity in aqueous binary mixture of amphiphilic solutes is common phenomena, our results may provide a general viewpoint on these aspects.

Multialternative drift-diffusion model predicts the relationship between visual fixations and choice in value-based decisions.

PubMed

Krajbich, Ian; Rangel, Antonio

2011-08-16

How do we make decisions when confronted with several alternatives (e.g., on a supermarket shelf)? Previous work has shown that accumulator models, such as the drift-diffusion model, can provide accurate descriptions of the psychometric data for binary value-based choices, and that the choice process is guided by visual attention. However, the computational processes used to make choices in more complicated situations involving three or more options are unknown. We propose a model of trinary value-based choice that generalizes what is known about binary choice, and test it using an eye-tracking experiment. We find that the model provides a quantitatively accurate description of the relationship between choice, reaction time, and visual fixation data using the same parameters that were estimated in previous work on binary choice. Our findings suggest that the brain uses similar computational processes to make binary and trinary choices.

THE QUASI-ROCHE LOBE OVERFLOW STATE IN THE EVOLUTION OF CLOSE BINARY SYSTEMS CONTAINING A RADIO PULSAR

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

Benvenuto, O. G.; De Vito, M. A.; Horvath, J. E., E-mail: adevito@fcaglp.unlp.edu.ar, E-mail: foton@iag.usp.br

We study the evolution of close binary systems formed by a normal (solar composition), intermediate-mass-donor star together with a neutron star. We consider models including irradiation feedback and evaporation. These nonstandard ingredients deeply modify the mass-transfer stages of these binaries. While models that neglect irradiation feedback undergo continuous, long-standing mass-transfer episodes, models including these effects suffer a number of cycles of mass transfer and detachment. During mass transfer, the systems should reveal themselves as low-mass X-ray binaries (LMXBs), whereas when they are detached they behave as binary radio pulsars. We show that at these stages irradiated models are in amore » Roche lobe overflow (RLOF) state or in a quasi-RLOF state. Quasi-RLOF stars have radii slightly smaller than their Roche lobes. Remarkably, these conditions are attained for an orbital period as well as donor mass values in the range corresponding to a family of binary radio pulsars known as ''redbacks''. Thus, redback companions should be quasi-RLOF stars. We show that the characteristics of the redback system PSR J1723-2837 are accounted for by these models. In each mass-transfer cycle these systems should switch from LMXB to binary radio pulsar states with a timescale of approximately one million years. However, there is recent and fast growing evidence of systems switching on far shorter, human timescales. This should be related to instabilities in the accretion disk surrounding the neutron star and/or radio ejection, still to be included in the model having the quasi-RLOF state as a general condition.« less

Discovery and characterization of 3000+ main-sequence binaries from APOGEE spectra

NASA Astrophysics Data System (ADS)

El-Badry, Kareem; Ting, Yuan-Sen; Rix, Hans-Walter; Quataert, Eliot; Weisz, Daniel R.; Cargile, Phillip; Conroy, Charlie; Hogg, David W.; Bergemann, Maria; Liu, Chao

2018-05-01

We develop a data-driven spectral model for identifying and characterizing spatially unresolved multiple-star systems and apply it to APOGEE DR13 spectra of main-sequence stars. Binaries and triples are identified as targets whose spectra can be significantly better fit by a superposition of two or three model spectra, drawn from the same isochrone, than any single-star model. From an initial sample of ˜20 000 main-sequence targets, we identify ˜2500 binaries in which both the primary and secondary stars contribute detectably to the spectrum, simultaneously fitting for the velocities and stellar parameters of both components. We additionally identify and fit ˜200 triple systems, as well as ˜700 velocity-variable systems in which the secondary does not contribute detectably to the spectrum. Our model simplifies the process of simultaneously fitting single- or multi-epoch spectra with composite models and does not depend on a velocity offset between the two components of a binary, making it sensitive to traditionally undetectable systems with periods of hundreds or thousands of years. In agreement with conventional expectations, almost all the spectrally identified binaries with measured parallaxes fall above the main sequence in the colour-magnitude diagram. We find excellent agreement between spectrally and dynamically inferred mass ratios for the ˜600 binaries in which a dynamical mass ratio can be measured from multi-epoch radial velocities. We obtain full orbital solutions for 64 systems, including 14 close binaries within hierarchical triples. We make available catalogues of stellar parameters, abundances, mass ratios, and orbital parameters.

Variable-Length Computerized Adaptive Testing Using the Higher Order DINA Model

ERIC Educational Resources Information Center

Hsu, Chia-Ling; Wang, Wen-Chung

2015-01-01

Cognitive diagnosis models provide profile information about a set of latent binary attributes, whereas item response models yield a summary report on a latent continuous trait. To utilize the advantages of both models, higher order cognitive diagnosis models were developed in which information about both latent binary attributes and latent…

Doubled-lined eclipsing binary system KIC~2306740 with pulsating component discovered from Kepler space photometry

NASA Astrophysics Data System (ADS)

Yakut, Kadri

2015-08-01

We present a detailed study of KIC 2306740, an eccentric double-lined eclipsing binary system with a pulsating component.Archive Kepler satellite data were combined with newly obtained spectroscopic data with 4.2\\,m William Herschel Telescope(WHT). This allowed us to determine rather precise orbital and physical parameters of this long period, slightly eccentric, pulsating binary system. Duplicity effects are extracted from the light curve in order to estimate pulsation frequencies from the residuals.We modelled the detached binary system assuming non-conservative evolution models with the Cambridge STARS(TWIN) code.

SU-E-T-554: Monte Carlo Calculation of Source Terms and Attenuation Lengths for Neutrons Produced by 50–200 MeV Protons On Brass

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

Ramos-Mendez, J; Faddegon, B; Paganetti, H

2015-06-15

Purpose: We used TOPAS (TOPAS wraps and extends Geant4 for medical physicists) to compare Geant4 physics models with published data for neutron shielding calculations. Subsequently, we calculated the source terms and attenuation lengths (shielding data) of the total ambient dose equivalent (TADE) in concrete for neutrons produced by protons in brass. Methods: Stage1: The Bertini and Binary nuclear models available in Geant4 were compared with published attenuation at depth of the TADE in concrete and iron. Stage2: Shielding data of the TADE in concrete was calculated for 50– 200 MeV proton beams on brass. Stage3: Shielding data from Stage2 wasmore » extrapolated for 235 MeV proton beams. This data was used in a point-line-source analytical model to calculate the ambient dose per unit therapeutic dose at two locations inside one treatment room at the Francis H Burr Proton Therapy Center. Finally, we compared these results with experimental data and full TOPAS simulations. Results: At larger angles (∼130o) the TADE in concrete calculated with the Bertini model was about 9 times larger than that calculated with the Binary model. The attenuation length in concrete calculated with the Binary model agreed with published data within 7%±0.4% (statistical uncertainty) for the deepest regions and 5%±0.1% for shallower regions. For iron the agreement was within 3%±0.1%. The ambient dose per therapeutic dose calculated with the Binary model, relative to the experimental data, was a ratio of 0.93±0.16 and 1.23±0.24 for two locations. The analytical model overestimated the dose by four orders of magnitude. These differences are attributed to the complexity of the geometry. Conclusion: The Binary and Bertini models gave comparable results, with the Binary model giving the best agreement with published data at large angle. Shielding data we calculated using the Binary model is useful for fast shielding calculations with other analytical models. This work was supported by National Cancer Institute Grant R01CA140735.« less

Orbital synchronization capture of two binaries emitting gravitational waves

NASA Astrophysics Data System (ADS)

Seto, Naoki

2018-03-01

We study the possibility of orbital synchronization capture for a hierarchical quadrupole stellar system composed by two binaries emitting gravitational waves. Based on a simple model including the mass transfer for white dwarf binaries, we find that the capture might be realized for inter-binary distances less than their gravitational wavelength. We also discuss related intriguing phenomena such as a parasitic relation between the coupled white dwarf binaries and significant reductions of gravitational and electromagnetic radiations.

DIFFERENT DYNAMICAL AGES FOR THE TWO YOUNG AND COEVAL LMC STAR CLUSTERS, NGC 1805 AND NGC 1818, IMPRINTED ON THEIR BINARY POPULATIONS

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

Geller, Aaron M.; Grijs, Richard de; Li, Chengyuan

2015-05-20

The two Large Magellanic Cloud star clusters, NGC 1805 and NGC 1818, are approximately the same chronological age (∼30 Myr), but show different radial trends in binary frequency. The F-type stars (1.3–2.2 M{sub ⊙}) in NGC 1818 have a binary frequency that decreases toward the core, while the binary frequency for stars of similar mass in NGC 1805 is flat with radius, or perhaps bimodal (with a peak in the core). We show here, through detailed N-body modeling, that both clusters could have formed with the same primordial binary frequency and with binary orbital elements and masses drawn from themore » same distributions (defined from observations of open clusters and the field of our Galaxy). The observed radial trends in binary frequency for both clusters are best matched with models that have initial substructure. Furthermore, both clusters may be evolving along a very similar dynamical sequence, with the key difference that NGC 1805 is dynamically older than NGC 1818. The F-type binaries in NGC 1818 still show evidence of an initial period of rapid dynamical disruptions (which occur preferentially in the core), while NGC 1805 has already begun to recover a higher core binary frequency, owing to mass segregation (which will eventually produce a distribution in binary frequency that rises only toward the core, as is observed in old Milky Way star clusters). This recovery rate increases for higher-mass binaries, and therefore even at one age in one cluster, we predict a similar dynamical sequence in the radial distribution of the binary frequency as a function of binary primary mass.« less

Defining a Materials Database for the Design of Copper Binary Alloy Catalysts for Electrochemical CO2 Conversion.

PubMed

Lee, Chan Woo; Yang, Ki Dong; Nam, Dae-Hyun; Jang, Jun Ho; Cho, Nam Heon; Im, Sang Won; Nam, Ki Tae

2018-01-24

While Cu electrodes are a versatile material in the electrochemical production of desired hydrocarbon fuels, Cu binary alloy electrodes are recently proposed to further tune reaction directionality and, more importantly, overcome the intrinsic limitation of scaling relations. Despite encouraging empirical demonstrations of various Cu-based metal alloy systems, the underlying principles of their outstanding performance are not fully addressed. In particular, possible phase segregation with concurrent composition changes, which is widely observed in the field of metallurgy, is not at all considered. Moreover, surface-exposed metals can easily form oxide species, which is another pivotal factor that determines overall catalytic properties. Here, the understanding of Cu binary alloy catalysts for CO 2 reduction and recent progress in this field are discussed. From the viewpoint of the thermodynamic stability of the alloy system and elemental mixing, possible microstructures and naturally generated surface oxide species are proposed. These basic principles of material science can help to predict and understand metal alloy structure and, moreover, act as an inspiration for the development of new binary alloy catalysts to further improve CO 2 conversion and, ultimately, achieve a carbon-neutral cycle. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of seasonal nitrogen on binary mixtures of tall fescue and bermudagrass

USDA-ARS?s Scientific Manuscript database

The nutrients in broiler litter, especially N, should be applied in phase with crop demands to reduce the potential for nutrient loss. A 2-yr field experiment studied broiler litter and inorganic N application timing effects on seasonal dry matter (DM) yield, total nutrient uptake, and soil P in mix...

Application of the Double-Tangent Construction of Coexisting Phases to Any Type of Phase Equilibrium for Binary Systems Modeled with the Gamma-Phi Approach

ERIC Educational Resources Information Center

Jaubert, Jean-Noël; Privat, Romain

2014-01-01

The double-tangent construction of coexisting phases is an elegant approach to visualize all the multiphase binary systems that satisfy the equality of chemical potentials and to select the stable state. In this paper, we show how to perform the double-tangent construction of coexisting phases for binary systems modeled with the gamma-phi…

Performance and separation occurrence of binary probit regression estimator using maximum likelihood method and Firths approach under different sample size

NASA Astrophysics Data System (ADS)

Lusiana, Evellin Dewi

2017-12-01

The parameters of binary probit regression model are commonly estimated by using Maximum Likelihood Estimation (MLE) method. However, MLE method has limitation if the binary data contains separation. Separation is the condition where there are one or several independent variables that exactly grouped the categories in binary response. It will result the estimators of MLE method become non-convergent, so that they cannot be used in modeling. One of the effort to resolve the separation is using Firths approach instead. This research has two aims. First, to identify the chance of separation occurrence in binary probit regression model between MLE method and Firths approach. Second, to compare the performance of binary probit regression model estimator that obtained by MLE method and Firths approach using RMSE criteria. Those are performed using simulation method and under different sample size. The results showed that the chance of separation occurrence in MLE method for small sample size is higher than Firths approach. On the other hand, for larger sample size, the probability decreased and relatively identic between MLE method and Firths approach. Meanwhile, Firths estimators have smaller RMSE than MLEs especially for smaller sample sizes. But for larger sample sizes, the RMSEs are not much different. It means that Firths estimators outperformed MLE estimator.

Effect of CMC addition on steady and dynamic shear rheological properties of binary systems of xanthan gum and guar gum.

PubMed

Bak, J H; Yoo, B

2018-04-12

The effect of CMC on the steady and dynamic shear rheological properties of binary mixtures of XG and GG was examined at different mixing ratios. All XG-GG-CMC ternary mixtures had high shear-thinning behavior and the n value of the sample with 5% CMC was the smallest compared with those of other samples. A marked increase in K and η a,50 values was observed for ternary mixtures at a lower content (5%) of CMC, indicating that the synergistic interactions of the XG-GG binary mixture were affected by the content of CMC. The effect of temperature on the η a,50 was well described by the Arrhenius equation for all samples. The activation energy values of all ternary gum mixtures are higher than that of binary gum mixture, and these values also decreased with an increase in CMC content from 5 to 15%. The dynamic moduli of ternary gum mixtures decreased with an increase in CMC content. The tan δ value of the ternary gum mixture with 5% CMC was much lower than those of other ternary mixtures. In general, these results suggest that the flow and dynamic shear rheological properties of XG-GG binary mixtures are strongly influenced by a small addition of CMC. Copyright © 2018. Published by Elsevier B.V.

Convective Overshoot in Stellar Interior

NASA Astrophysics Data System (ADS)

Zhang, Q. S.

2015-07-01

In stellar interiors, the turbulent thermal convection transports matters and energy, and dominates the structure and evolution of stars. The convective overshoot, which results from the non-local convective transport from the convection zone to the radiative zone, is one of the most uncertain and difficult factors in stellar physics at present. The classical method for studying the convective overshoot is the non-local mixing-length theory (NMLT). However, the NMLT bases on phenomenological assumptions, and leads to contradictions, thus the NMLT was criticized in literature. At present, the helioseismic studies have shown that the NMLT cannot satisfy the helioseismic requirements, and have pointed out that only the turbulent convection models (TCMs) can be accepted. In the first part of this thesis, models and derivations of both the NMLT and the TCM were introduced. In the second part, i.e., the work part, the studies on the TCM (theoretical analysis and applications), and the development of a new model of the convective overshoot mixing were described in detail. In the work of theoretical analysis on the TCM, the approximate solution and the asymptotic solution were obtained based on some assumptions. The structure of the overshoot region was discussed. In a large space of the free parameters, the approximate/asymptotic solutions are in good agreement with the numerical results. We found an important result that the scale of the overshoot region in which the thermal energy transport is effective is 1 HK (HK is the scale height of turbulence kinetic energy), which does not depend on the free parameters of the TCM. We applied the TCM and a simple overshoot mixing model in three cases. In the solar case, it was found that the temperature gradient in the overshoot region is in agreement with the helioseismic requirements, and the profiles of the solar lithium abundance, sound speed, and density of the solar models are also improved. In the low-mass stars of open clusters Hyades, Praesepe, NGC6633, NGC752, NGC3680, and M67, using the model and parameter same to the solar case to deal with the convective envelope overshoot mixing, the lithium abundances on the surface of the stellar models were consistent with the observations. In the case of the binary HY Vir, the same model and parameter also make the radii and effective temperatures of HY Vir stars with convective cores be consistent with the observations. Based on the implications of the above results, we found that the simple overshoot mixing model may need to be improved significantly. Motivated by those implications, we established a new model of the overshoot mixing based on the fluid dynamic equations, and worked out the diffusion coefficient of convective mixing. The diffusion coefficient shows different behaviors in convection zone and overshoot region. In the overshoot region, the buoyancy does negative works on flows, thus the fluid flows around the equilibrium location, which leads to a small scale and low efficiency of overshoot mixing. The physical properties are significantly different from the classical NMLT, and consistent with the helioseismic studies and numerical simulations. The new model was tested in stellar evolution, and its parameter was calibrated.

The nightmare scenario: measuring the stochastic gravitational wave background from stalling massive black hole binaries with pulsar timing arrays

NASA Astrophysics Data System (ADS)

Dvorkin, Irina; Barausse, Enrico

2017-10-01

Massive black hole binaries, formed when galaxies merge, are among the primary sources of gravitational waves targeted by ongoing pulsar timing array (PTA) experiments and the upcoming space-based Laser Interferometer Space Antenna (LISA) interferometer. However, their formation and merger rates are still highly uncertain. Recent upper limits on the stochastic gravitational wave background obtained by PTAs are starting to be in marginal tension with theoretical models for the pairing and orbital evolution of these systems. This tension can be resolved by assuming that these binaries are more eccentric or interact more strongly with the environment (gas and stars) than expected, or by accounting for possible selection biases in the construction of the theoretical models. However, another (pessimistic) possibility is that these binaries do not merge at all, but stall at large (˜pc) separations. We explore this extreme scenario by using a semi-analytic galaxy formation model including massive black holes (isolated and in binaries), and show that future generations of PTAs will detect the stochastic gravitational wave background from the massive black hole binary population within 10-15 yr of observations, even in the `nightmare scenario' in which all binaries stall at the hardening radius. Moreover, we argue that this scenario is too pessimistic, because our model predicts the existence of a subpopulation of binaries with small mass ratios (q ≲ 10-3) that should merge within a Hubble time simply as a result of gravitational wave emission. This subpopulation will be observable with large signal-to-noise ratios by future PTAs thanks to next-generation radio telescopes such as Square Kilometre Array or Five-hundred-meter Aperture Spherical Telescope, and possibly by LISA.

Memory-Based Simple Heuristics as Attribute Substitution: Competitive Tests of Binary Choice Inference Models.

PubMed

Honda, Hidehito; Matsuka, Toshihiko; Ueda, Kazuhiro

2017-05-01

Some researchers on binary choice inference have argued that people make inferences based on simple heuristics, such as recognition, fluency, or familiarity. Others have argued that people make inferences based on available knowledge. To examine the boundary between heuristic and knowledge usage, we examine binary choice inference processes in terms of attribute substitution in heuristic use (Kahneman & Frederick, 2005). In this framework, it is predicted that people will rely on heuristic or knowledge-based inference depending on the subjective difficulty of the inference task. We conducted competitive tests of binary choice inference models representing simple heuristics (fluency and familiarity heuristics) and knowledge-based inference models. We found that a simple heuristic model (especially a familiarity heuristic model) explained inference patterns for subjectively difficult inference tasks, and that a knowledge-based inference model explained subjectively easy inference tasks. These results were consistent with the predictions of the attribute substitution framework. Issues on usage of simple heuristics and psychological processes are discussed. Copyright © 2016 Cognitive Science Society, Inc.

Effect of eccentricity on searches for gravitational waves from coalescing compact binaries in ground-based detectors

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

Brown, Duncan A.; Zimmerman, Peter J.

2010-01-15

Inspiralling compact binaries are expected to circularize before their gravitational-wave signals reach the sensitive frequency band of ground-based detectors. Current searches for gravitational waves from compact binaries using the LIGO and Virgo detectors therefore use circular templates to construct matched filters. Binary formation models have been proposed which suggest that some systems detectable by the LIGO-Virgo network may have non-negligible eccentricity. We investigate the ability of the restricted 3.5 post-Newtonian order TaylorF2 template bank, used by LIGO and Virgo to search for gravitational waves from compact binaries with masses M{<=}35M{sub {center_dot},} to detect binaries with nonzero eccentricity. We model themore » gravitational waves from eccentric binaries using the x-model post-Newtonian formalism proposed by Hinder et al.[I. Hinder, F. Hermann, P. Laguna, and D. Shoemaker, arXiv:0806.1037v1]. We find that small residual eccentricities (e{sub 0} < or approx. 0.05 at 40 Hz) do not significantly affect the ability of current LIGO searches to detect gravitational waves from coalescing compact binaries with total mass 2M{sub {center_dot}<}M<15M{sub {center_dot}.} For eccentricities e{sub 0} > or approx. 0.1, the loss in matched filter signal-to-noise ratio due to eccentricity can be significant and so templates which include eccentric effects will be required to perform optimal searches for such systems.« less

Indoor Astronomy: A Model Eclipsing Binary Star System.

ERIC Educational Resources Information Center

Bloomer, Raymond H., Jr.

1979-01-01

Describes a two-hour physics laboratory experiment modeling the phenomena of eclipsing binary stars developed by the Air Force Academy as part of a week-long laboratory-oriented experience for visiting high school students. (BT)

No compelling positive association between ovarian hormones and wearing red clothing when using multinomial analyses.

PubMed

Blake, Khandis R; Dixson, Barnaby J W; O'Dean, Siobhan M; Denson, Thomas F

2017-04-01

Several studies report that wearing red clothing enhances women's attractiveness and signals sexual proceptivity to men. The associated hypothesis that women will choose to wear red clothing when fertility is highest, however, has received mixed support from empirical studies. One possible cause of these mixed findings may be methodological. The current study aimed to replicate recent findings suggesting a positive association between hormonal profiles associated with high fertility (high estradiol to progesterone ratios) and the likelihood of wearing red. We compared the effect of the estradiol to progesterone ratio on the probability of wearing: red versus non-red (binary logistic regression); red versus neutral, black, blue, green, orange, multi-color, and gray (multinomial logistic regression); and each of these same colors in separate binary models (e.g., green versus non-green). Red versus non-red analyses showed a positive trend between a high estradiol to progesterone ratio and wearing red, but the effect only arose for younger women and was not robust across samples. We found no compelling evidence for ovarian hormones increasing the probability of wearing red in the other analyses. However, we did find that the probability of wearing neutral was positively associated with the estradiol to progesterone ratio, though the effect did not reach conventional levels of statistical significance. Findings suggest that although ovarian hormones may affect younger women's preference for red clothing under some conditions, the effect is not robust when differentiating amongst other colors of clothing. In addition, the effect of ovarian hormones on clothing color preference may not be specific to the color red. Copyright © 2017 Elsevier Inc. All rights reserved.

Quantification of live Lactobacillus acidophilus in mixed populations of live and killed by application of attenuated reflection Fourier transform infrared spectroscopy combined with chemometrics.

PubMed

Toziou, Peristera-Maria; Barmpalexis, Panagiotis; Boukouvala, Paraskevi; Verghese, Susan; Nikolakakis, Ioannis

2018-05-30

Since culture-based methods are costly and time consuming, alternative methods are investigated for the quantification of probiotics in commercial products. In this work ATR- FTIR vibration spectroscopy was applied for the differentiation and quantification of live Lactobacillus (La 5) in mixed populations of live and killed La 5, in the absence and in the presence of enteric polymer Eudragit ® L 100-55. Suspensions of live (La 5_L) and killed in acidic environment bacillus (La 5_K) were prepared and binary mixtures of different percentages were used to grow cell cultures for colony counting and spectral analysis. The increase in the number of colonies with added%La 5_L to the mixture was log-linear (r 2  = 0.926). Differentiation of La 5_L from La 5_K was possible directly from the peak area at 1635 cm -1 (amides of proteins and peptides) and a linear relationship between%La 5_L and peak area in the range 0-95% was obtained. Application of partial least squares regression (PLSR) gave reasonable prediction of%La 5_L (RMSEp = 6.48) in binary mixtures of live and killed La 5 but poor prediction (RMSEp = 11.75) when polymer was added to the La 5 mixture. Application of artificial neural networks (ANNs) improved greatly the predictive ability for%La 5_L both in the absence and in the presence of polymer (RMSEp = 8.11 × 10 -8 for La 5 only mixtures and RMSEp = 8.77 × 10 -8 with added polymer) due to their ability to express in the calibration models more hidden spectral information than PLSR. Copyright © 2018 Elsevier B.V. All rights reserved.

A Pulsar and White Dwarf in an Unexpected Orbit

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-11-01

Astronomers have discovered a binary system consisting of a low-mass white dwarf and a millisecond pulsar but its eccentric orbit defies all expectations of how such binaries form.Observed orbital periods and binary eccentricities for binary millisecond pulsars. PSR J2234+0511 is the furthest right of the green stars that mark the five known eccentric systems. [Antoniadis et al. 2016]Unusual EccentricityIt would take a low-mass (0.4 solar masses) white dwarf over 100 billion years to form from the evolution of a single star. Since this is longer than the age of the universe, we believe that these lightweights are instead products of binary-star evolution and indeed, we observe many of these stars to still be in binary systems.But the binary evolution that can create a low-mass white dwarf includes a period of mass transfer, in which efficient tidal dissipation damps the systems orbital eccentricity. Because of this, we would expect all systems containing low-mass white dwarfs to have circular orbits.In the past, our observations of low-mass white dwarfmillisecond pulsar binaries have all been consistent with this expectation. But a new detection has thrown a wrench in the works: the unambiguous identification of a low-mass white dwarf thats in an eccentric (e=0.13) orbit with the millisecond pulsar PSR J2234+0511. How could this system have formed?Eliminating Formation ModelsLed by John Antoniadis (Dunlap Institute at University of Toronto), a team of scientists has used newly obtained optical photometry (from the Sloan Digital Sky Survey) and spectroscopy (from the Very Large Telescope in Chile) of the white dwarf to confirm the identification of this system.Antoniadis and collaborators then use measurements of the bodies masses (0.28 and 1.4 solar masses for the white dwarf and pulsar, respectively) and velocities, and constraints on the white dwarfs temperature, radius and surface gravity, to address three proposed models for the formation of this system.The 3D motion of the pulsar (black solid lines; current position marked with diamond) in our galaxy over the past 1.5 Gyr. This motion is typical for low-mass X-ray binary descendants, favoring a binary-evolution model over a 3-body-interaction model. [Antoniadis et al. 2016]In the first model, the eccentric binary was created via adynamic three-body formation channel. This possibility is deemed unlikely, as the white-dwarf properties and all the kinematic properties of the system point to normal binary evolution.In the secondmodel, the binary system gains its high eccentricity after mass transfer ends, when the pulsar progenitor experiences a spontaneous phase transition. The authors explore two options for this: one in which the neutron star implodes into a strange-quark star, and the other in which an over-massive white dwarf suffers a delayed collapse into a neutron star. Both cases are deemed unlikely, because the mass inferred for the pulsar progenitor is not consistent with either model.In the third model, the system forms a circumbinary disk fueled by material escaping the proto-white dwarf. After mass transfer has ended, interactions between the binary and its disk gradually increase the eccentricity of the system, pumping it up to what we observe today. All of the properties of the system measured by Antoniadis and collaborators are thus far consistent with this model.Further observations of this system and systems like it (several others have been detected, though not yet confirmed) will help determine whether binary evolution combined with interactions with a disk can indeed explain the formation of this unexpectedly eccentricsystem.CitationJohn Antoniadis et al 2016 ApJ 830 36. doi:10.3847/0004-637X/830/1/36

Mathematical modelling of Bit-Level Architecture using Reciprocal Quantum Logic

NASA Astrophysics Data System (ADS)

Narendran, S.; Selvakumar, J.

2018-04-01

Efficiency of high-performance computing is on high demand with both speed and energy efficiency. Reciprocal Quantum Logic (RQL) is one of the technology which will produce high speed and zero static power dissipation. RQL uses AC power supply as input rather than DC input. RQL has three set of basic gates. Series of reciprocal transmission lines are placed in between each gate to avoid loss of power and to achieve high speed. Analytical model of Bit-Level Architecture are done through RQL. Major drawback of reciprocal Quantum Logic is area, because of lack in proper power supply. To achieve proper power supply we need to use splitters which will occupy large area. Distributed arithmetic uses vector- vector multiplication one is constant and other is signed variable and each word performs as a binary number, they rearranged and mixed to form distributed system. Distributed arithmetic is widely used in convolution and high performance computational devices.

Electric field-induced reorganization of two-component supported bilayer membranes

PubMed Central

Groves, Jay T.; Boxer, Steven G.; McConnell, Harden M.

1997-01-01

Application of electric fields tangent to the plane of a confined patch of fluid bilayer membrane can create lateral concentration gradients of the lipids. A thermodynamic model of this steady-state behavior is developed for binary systems and tested with experiments in supported lipid bilayers. The model uses Flory’s approximation for the entropy of mixing and allows for effects arising when the components have different molecular areas. In the special case of equal area molecules the concentration gradient reduces to a Fermi–Dirac distribution. The theory is extended to include effects from charged molecules in the membrane. Calculations show that surface charge on the supporting substrate substantially screens electrostatic interactions within the membrane. It also is shown that concentration profiles can be affected by other intermolecular interactions such as clustering. Qualitative agreement with this prediction is provided by comparing phosphatidylserine- and cardiolipin-containing membranes. PMID:9391034

Electric field-induced reorganization of two-component supported bilayer membranes.

PubMed

Groves, J T; Boxer, S G; McConnell, H M

1997-12-09

Application of electric fields tangent to the plane of a confined patch of fluid bilayer membrane can create lateral concentration gradients of the lipids. A thermodynamic model of this steady-state behavior is developed for binary systems and tested with experiments in supported lipid bilayers. The model uses Flory's approximation for the entropy of mixing and allows for effects arising when the components have different molecular areas. In the special case of equal area molecules the concentration gradient reduces to a Fermi-Dirac distribution. The theory is extended to include effects from charged molecules in the membrane. Calculations show that surface charge on the supporting substrate substantially screens electrostatic interactions within the membrane. It also is shown that concentration profiles can be affected by other intermolecular interactions such as clustering. Qualitative agreement with this prediction is provided by comparing phosphatidylserine- and cardiolipin-containing membranes.

Solid-solution aqueous-solution equilibria: thermodynamic theory and representation

USGS Publications Warehouse

Glynn, P.D.; Reardon, E.J.

1990-01-01

Thorstenson and Plummer's (1977) "stoichiometric saturation' model is reviewed, and a general relation between stoichiometric saturation Kss constants and excess free energies of mixing is derived for a binary solid-solution B1-xCxA: GE = RT[ln Kss - xln(xKCA) - (l-x)ln((l-x)KBA)]. This equation allows a suitable excess free energy function, such as Guggenheim's (1937) sub-regular function, to be fitted from experimentally determined Kss constants. Solid-phase free energies and component activity-coefficients can then be determined from one or two fitted parameters and from the endmember solubility products KBA and KCA. A general form of Lippmann's (1977,1980) "solutus equation is derived from an examination of Lippmann's (1977,1980) "total solubility product' model. Lippmann's ??II or "total solubility product' variable is used to represent graphically not only thermodynamic equilibrium states and primary saturation states but also stoichiometric saturation and pure phase saturation states. -from Authors

Effects of g-Jitter on Diffusion in Binary Liquids

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.

1999-01-01

The microgravity environment offers the potential to measure the binary diffusion coefficients in liquids without the masking effects introduced by buoyancy-induced flows due to Earth s gravity. However, the background g-jitter (vibrations from the shuttle, onboard machinery, and crew) normally encountered in many shuttle experiments may alter the benefits of the microgravity environment and introduce vibrations that could offset its intrinsic advantages. An experiment during STS-85 (August 1997) used the Microgravity Vibration Isolation Mount (MIM) to isolate and introduce controlled vibrations to two miscible liquids inside a cavity to study the effects of g-jitter on liquid diffusion. Diffusion in a nonhomogeneous liquid system is caused by a nonequilibrium condition that results in the transport of mass (dispersion of the different kinds of liquid molecules) to approach equilibrium. The dynamic state of the system tends toward equilibrium such that the system becomes homogeneous. An everyday example is the mixing of cream and coffee (a nonhomogeneous system) via stirring. The cream diffuses into the coffee, thus forming a homogeneous system. At equilibrium the system is said to be mixed. However, during stirring, simple observations show complex flow field dynamics-stretching and folding of material interfaces, thinning of striation thickness, self-similar patterns, and so on. This example illustrates that, even though mixing occurs via mass diffusion, stirring to enhance transport plays a major role. Stirring can be induced either by mechanical means (spoon or plastic stirrer) or via buoyancy-induced forces caused by Earth s gravity. Accurate measurements of binary diffusion coefficients are often inhibited by buoyancy-induced flows. The microgravity environment minimizes the effect of buoyancy-induced flows and allows the true diffusion limit to be achieved. One goal of this experiment was to show that the microgravity environment suppresses buoyancy-induced convection, thereby mass diffusion becomes the dominant mechanism for transport. Since g-jitter transmitted by the shuttle to the experiment can potentially excite buoyancy-induced flows, we also studied the effects of controlled vibrations on the system.

Development and Application of Binary Suspensions in the Ternary System Cr2O3-TiO2-Al2O3 for S-HVOF Spraying

NASA Astrophysics Data System (ADS)

Potthoff, Annegret; Kratzsch, Robert; Barbosa, Maria; Kulissa, Nick; Kunze, Oliver; Toma, Filofteia-Laura

2018-04-01

Compositions in the system Cr2O3-TiO2-Al2O3 are among the most used ceramic materials for thermally sprayed coating solutions. Cr2O3 coatings present good sliding wear resistance; Al2O3 coatings show excellent insulation behavior and TiO2 striking corrosion properties. In order to combine these properties, coatings containing more than one oxide are highly interesting. The conventional spraying process is limited to the availability of binary feedstock powders with defined compositions. The use of suspensions offers the opportunity for tailor-made chemical compositions: within the triangle of Cr2O3-TiO2-Al2O3, each mixture of oxides can be created. Criteria for the selection of raw materials as well as the relevant aspects for the development of binary suspensions in the Cr2O3-TiO2-Al2O3 system to be used as feedstock for thermal spraying are presented. This formulation of binary suspensions required the development of water-based single-oxide suspensions with suitable behavior; otherwise, the interaction between the particles while mixing could lead up to a formation of agglomerates, which affect both the stability of the spray process and the coating properties. For the validation of this formulation procedure, binary Cr2O3-TiO2 and Al2O3-TiO2 suspensions were developed and sprayed using the S-HVOF process. The binary coatings were characterized and discussed in terms of microstructure and microhardness.

Solubility enhancement of miconazole nitrate: binary and ternary mixture approach.

PubMed

Rai, Vineet Kumar; Dwivedi, Harinath; Yadav, Narayan Prasad; Chanotiya, Chandan Singh; Saraf, Shubhini A

2014-08-01

Enhancement of aqueous solubility of very slightly soluble Miconazole Nitrate (MN) is required to widen its application from topical formulation to oral/mucoadhesive formulations. Aim of the present investigation was to enhance the aqueous solubility of MN using binary and ternary mixture approach. Binary mixtures such as solvent deposition, inclusion complexation and solid dispersion were adopted to enhance solubility using different polymers like lactose, beta-cyclodextrin (β-CD) and polyethylene-glycol 6000 (PEG 6000), respectively. Batches of binary mixtures with highest solubility enhancement potentials were further mixed to form ternary mixture by a simple kneading method. Drug polymer interaction and mixture morphology was studied using the Fourier transform infrared spectroscopy and the scanning electron microscopy, respectively along with their saturation solubility studies and drug release. An excellent solubility enhancement, i.e. up to 72 folds and 316 folds of MN was seen by binary and ternary mixture, respectively. Up to 99.5% drug was released in 2 h from the mixtures of MN and polymers. RESULTS revealed that solubility enhancement by binary mixtures is achieved due to surface modification and by increasing wettability of MN. Tremendous increase in solubility of MN by ternary mixture could possibly be due to blending of water soluble polymers, i.e. lactose and PEG 6000 with β-CD which was found to enhance the solubilizing nature of β-CD. Owing to the excellent solubility enhancement potential of ternary mixtures in enhancing MN solubility from 110.4 μg/ml to 57640.0 μg/ml, ternary mixture approach could prove to be promising in the development of oral/mucoadhesive formulations.

Detection of the Simplest Sugar, Glycolaldehyde, in a Solar-type Protostar with ALMA

NASA Astrophysics Data System (ADS)

Jørgensen, Jes K.; Favre, Cécile; Bisschop, Suzanne E.; Bourke, Tyler L.; van Dishoeck, Ewine F.; Schmalzl, Markus

2012-09-01

Glycolaldehyde (HCOCH2OH) is the simplest sugar and an important intermediate in the path toward forming more complex biologically relevant molecules. In this Letter we present the first detection of 13 transitions of glycolaldehyde around a solar-type young star, through Atacama Large Millimeter Array (ALMA) observations of the Class 0 protostellar binary IRAS 16293-2422 at 220 GHz (6 transitions) and 690 GHz (7 transitions). The glycolaldehyde lines have their origin in warm (200-300 K) gas close to the individual components of the binary. Glycolaldehyde co-exists with its isomer, methyl formate (HCOOCH3), which is a factor 10-15 more abundant toward the two sources. The data also show a tentative detection of ethylene glycol, the reduced alcohol of glycolaldehyde. In the 690 GHz data, the seven transitions predicted to have the highest optical depths based on modeling of the 220 GHz lines all show redshifted absorption profiles toward one of the components in the binary (IRAS 16293B) indicative of infall and emission at the systemic velocity offset from this by about 0farcs2 (25 AU). We discuss the constraints on the chemical formation of glycolaldehyde and other organic species—in particular, in the context of laboratory experiments of photochemistry of methanol-containing ices. The relative abundances appear to be consistent with UV photochemistry of a CH3OH-CO mixed ice that has undergone mild heating. The order of magnitude increase in line density in these early ALMA data illustrates its huge potential to reveal the full chemical complexity associated with the formation of solar system analogs.

Using Spin to Understand the Formation of LIGO and Virgo’s Black Holes

NASA Astrophysics Data System (ADS)

Farr, Ben; Holz, Daniel E.; Farr, Will M.

2018-02-01

With the growing number of binary black hole (BBH) mergers detected by the Advanced LIGO and Virgo detectors, it is becoming possible to constrain the properties of the underlying population and better understand the formation of these systems. Black hole (BH) spin orientations are one of the cleanest discriminators of formation history, with BHs in dynamically formed binaries in dense stellar environments expected to have spins distributed isotropically, in contrast to isolated populations where stellar evolution is expected to induce spins preferentially aligned with the orbital angular momentum. In this work, we propose a simple, model-agnostic approach to characterizing the spin properties of LIGO/Virgo’s BBH population. Using measurements of the effective spin of the binaries, we introduce a simple parameter to quantify the fraction of the population that is isotropically distributed, regardless of the spin magnitude distribution of the population. Once the orientation characteristics of the population have been determined, we show how measurements of effective spin can be used to directly constrain the BH spin magnitude distribution. We find that most effective spin measurements are too small to be informative, with the first four events showing a slight preference for a population with alignment, with an odds ratio of 1.2. We argue that it will be possible to distinguish symmetric and anti-symmetric populations at high confidence with tens of additional detections, although mixed populations may take significantly longer to disentangle. We also derive BH spin magnitude distributions from LIGO’s first four BBHs under the assumption of aligned or isotropic populations.

Effect of the composition of a solution on the enthalpies of solvation of piperidine in methanol-acetonitrile and dimethylsulfoxide-acetonitrile mixed solvents

NASA Astrophysics Data System (ADS)

Kuz'mina, I. A.; Volkova, M. A.; Sitnikova, K. A.; Sharnin, V. A.

2014-01-01

Heat effects of dissolution of piperidine (ppd) are measured by calorimetry at 298.15 K over the range of composition of acetonitrile-methanol (AN-MeOH) mixed solvents. Based on the Δsol H ○(ppd)AN-MeOH values obtained using the literature data on Δsol H ○ (ppd) in acetonitrile-dimethylsulfoxide (AN-DMSO) mixed solvents and the vaporization enthalpy of ppd, the enthalpies of solvation of amine in AN-MeOH and AN-DMSO binary mixtures are calculated. A rise in the exothermicity of solvation of piperidine is observed upon the transition from AN to DMSO and MeOH, due mainly to the enhanced solvation of the amino group of ppd as a result of changes in the acid-base properties of the mixed solvent.

Tracing CNO exposed layers in the Algol-type binary system u Her

NASA Astrophysics Data System (ADS)

Kolbas, V.; Dervişoğlu, A.; Pavlovski, K.; Southworth, J.

2014-11-01

The chemical composition of stellar photospheres in mass-transferring binary systems is a precious diagnostic of the nucleosynthesis processes that occur deep within stars, and preserves information on the components' history. The binary system u Her belongs to a group of hot Algols with both components being B stars. We have isolated the individual spectra of the two components by the technique of spectral disentangling of a new series of 43 high-resolution échelle spectra. Augmenting these with an analysis of the Hipparcos photometry of the system yields revised stellar quantities for the components of u Her. For the primary component (the mass-gaining star), we find MA = 7.88 ± 0.26 M⊙, RA = 4.93 ± 0.15 R⊙ and Teff, A = 21 600 ± 220 K. For the secondary (the mass-losing star) we find MB = 2.79 ± 0.12 M⊙, RB = 4.26 ± 0.06 R⊙ and Teff, B = 12 600 ± 550 K. A non-local thermodynamic equilibrium analysis of the primary star's atmosphere reveals deviations in the abundances of nitrogen and carbon from the standard cosmic abundance pattern in accord with theoretical expectations for CNO nucleosynthesis processing. From a grid of calculated evolutionary models the best match to the observed properties of the stars in u Her enabled tracing the initial properties and history of this binary system. We confirm that it has evolved according to case A mass transfer. A detailed abundance analysis of the primary star gives C/N = 0.9, which supports the evolutionary calculations and indicates strong mixing in the early evolution of the secondary component, which was originally the more massive of the two. The composition of the secondary component would be a further important constraint on the initial properties of u Her system, but requires spectra of a higher signal-to-noise ratio.

Assessing herbivore foraging behavior with GPS collars in a semiarid grassland.

PubMed

Augustine, David J; Derner, Justin D

2013-03-15

Advances in global positioning system (GPS) technology have dramatically enhanced the ability to track and study distributions of free-ranging livestock. Understanding factors controlling the distribution of free-ranging livestock requires the ability to assess when and where they are foraging. For four years (2008-2011), we periodically collected GPS and activity sensor data together with direct observations of collared cattle grazing semiarid rangeland in eastern Colorado. From these data, we developed classification tree models that allowed us to discriminate between grazing and non-grazing activities. We evaluated: (1) which activity sensor measurements from the GPS collars were most valuable in predicting cattle foraging behavior, (2) the accuracy of binary (grazing, non-grazing) activity models vs. models with multiple activity categories (grazing, resting, traveling, mixed), and (3) the accuracy of models that are robust across years vs. models specific to a given year. A binary classification tree correctly removed 86.5% of the non-grazing locations, while correctly retaining 87.8% of the locations where the animal was grazing, for an overall misclassification rate of 12.9%. A classification tree that separated activity into four different categories yielded a greater misclassification rate of 16.0%. Distance travelled in a 5 minute interval and the proportion of the interval with the sensor indicating a head down position were the two most important variables predicting grazing activity. Fitting annual models of cattle foraging activity did not improve model accuracy compared to a single model based on all four years combined. This suggests that increased sample size was more valuable than accounting for interannual variation in foraging behavior associated with variation in forage production. Our models differ from previous assessments in semiarid rangeland of Israel and mesic pastures in the United States in terms of the value of different activity sensor measurements for identifying grazing activity, suggesting that the use of GPS collars to classify cattle grazing behavior will require calibrations specific to the environment and vegetation being studied.

Estimating gravitational radiation from super-emitting compact binary systems

NASA Astrophysics Data System (ADS)

Hanna, Chad; Johnson, Matthew C.; Lehner, Luis

2017-06-01

Binary black hole mergers are among the most violent events in the Universe, leading to extreme warping of spacetime and copious emission of gravitational radiation. Even though black holes are the most compact objects they are not necessarily the most efficient emitters of gravitational radiation in binary systems. The final black hole resulting from a binary black hole merger retains a significant fraction of the premerger orbital energy and angular momentum. A nonvacuum system can in principle shed more of this energy than a black hole merger of equivalent mass. We study these super-emitters through a toy model that accounts for the possibility that the merger creates a compact object that retains a long-lived time-varying quadrupole moment. This toy model may capture the merger of (low mass) neutron stars, but it may also be used to consider more exotic compact binaries. We hope that this toy model can serve as a guide to more rigorous numerical investigations into these systems.

Compact Objects In Binary Systems: Formation and Evolution of X-ray Binaries and Tides in Double White Dwarfs

NASA Astrophysics Data System (ADS)

Valsecchi, Francesca

Binary star systems hosting black holes, neutron stars, and white dwarfs are unique laboratories for investigating both extreme physical conditions, and stellar and binary evolution. Black holes and neutron stars are observed in X-ray binaries, where mass accretion from a stellar companion renders them X-ray bright. Although instruments like Chandra have revolutionized the field of X-ray binaries, our theoretical understanding of their origin and formation lags behind. Progress can be made by unravelling the evolutionary history of observed systems. As part of my thesis work, I have developed an analysis method that uses detailed stellar models and all the observational constraints of a system to reconstruct its evolutionary path. This analysis models the orbital evolution from compact-object formation to the present time, the binary orbital dynamics due to explosive mass loss and a possible kick at core collapse, and the evolution from the progenitor's Zero Age Main Sequence to compact-object formation. This method led to a theoretical model for M33 X-7, one of the most massive X-ray binaries known and originally marked as an evolutionary challenge. Compact objects are also expected gravitational wave (GW) sources. In particular, double white dwarfs are both guaranteed GW sources and observed electromagnetically. Although known systems show evidence of tidal deformation and a successful GW astronomy requires realistic models of the sources, detached double white dwarfs are generally approximated to point masses. For the first time, I used realistic models to study tidally-driven periastron precession in eccentric binaries. I demonstrated that its imprint on the GW signal yields constrains on the components' masses and that the source would be misclassified if tides are neglected. Beyond this adiabatic precession, tidal dissipation creates a sink of orbital angular momentum. Its efficiency is strongest when tides are dynamic and excite the components' free oscillation modes. Accounting for this effect will determine whether our interpretation of current and future observations will constrain the sources' true physical properties. To investigate dynamic tides I have developed CAFein, a novel code that calculates forced non-adiabatic stellar oscillations using a highly stable and efficient numerical method.

A hybrid binary particle swarm optimization for large capacitated multi item multi level lot sizing (CMIMLLS) problem

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Sahithi, V. V. D.; Rao, C. S. P.

2016-09-01

The lot sizing problem deals with finding optimal order quantities which minimizes the ordering and holding cost of product mix. when multiple items at multiple levels with all capacity restrictions are considered, the lot sizing problem become NP hard. Many heuristics were developed in the past have inevitably failed due to size, computational complexity and time. However the authors were successful in the development of PSO based technique namely iterative improvement binary particles swarm technique to address very large capacitated multi-item multi level lot sizing (CMIMLLS) problem. First binary particle Swarm Optimization algorithm is used to find a solution in a reasonable time and iterative improvement local search mechanism is employed to improvise the solution obtained by BPSO algorithm. This hybrid mechanism of using local search on the global solution is found to improve the quality of solutions with respect to time thus IIBPSO method is found best and show excellent results.

Refractive index, molar refraction and comparative refractive index study of propylene carbonate binary liquid mixtures.

PubMed

Wankhede, Dnyaneshwar Shamrao

2012-06-01

Refractive indices (n) have been experimentally determined for the binary liquid-liquid mixtures of Propylene carbonate (PC) (1) with benzene, ethylbenzene, o-xylene and p-xylene (2) at 298.15, 303.15 and 308.15 K over the entire mole fraction range. The experimental values of n are utilised to calculate deviation in refractive index (Δn), molar refraction (R) and deviation in molar refraction (ΔR). A comparative study of Arago-Biot (A-B), Newton (NW), Eyring and John (E-J) equations for determining refractive index of a liquid has been carried out to test their validity for all the binary mixtures over the entire composition range at 298.15 K. Comparison of various mixing relations is represented in terms of average deviation (AVD). The Δn and ΔR values have been fitted to Redlich-Kister equation at 298.15 K and standard deviations have been calculated. The results are discussed in terms of intermolecular interactions present amongst the components.

Inferring Binary and Trinary Stellar Populations in Photometric and Astrometric Surveys

NASA Astrophysics Data System (ADS)

Widmark, Axel; Leistedt, Boris; Hogg, David W.

2018-04-01

Multiple stellar systems are ubiquitous in the Milky Way but are often unresolved and seen as single objects in spectroscopic, photometric, and astrometric surveys. However, modeling them is essential for developing a full understanding of large surveys such as Gaia and connecting them to stellar and Galactic models. In this paper, we address this problem by jointly fitting the Gaia and Two Micron All Sky Survey photometric and astrometric data using a data-driven Bayesian hierarchical model that includes populations of binary and trinary systems. This allows us to classify observations into singles, binaries, and trinaries, in a robust and efficient manner, without resorting to external models. We are able to identify multiple systems and, in some cases, make strong predictions for the properties of their unresolved stars. We will be able to compare such predictions with Gaia Data Release 4, which will contain astrometric identification and analysis of binary systems.

Equilibrium points and associated periodic orbits in the gravity of binary asteroid systems: (66391) 1999 KW4 as an example

NASA Astrophysics Data System (ADS)

Shi, Yu; Wang, Yue; Xu, Shijie

2018-04-01

The motion of a massless particle in the gravity of a binary asteroid system, referred as the restricted full three-body problem (RF3BP), is fundamental, not only for the evolution of the binary system, but also for the design of relevant space missions. In this paper, equilibrium points and associated periodic orbit families in the gravity of a binary system are investigated, with the binary (66391) 1999 KW4 as an example. The polyhedron shape model is used to describe irregular shapes and corresponding gravity fields of the primary and secondary of (66391) 1999 KW4, which is more accurate than the ellipsoid shape model in previous studies and provides a high-fidelity representation of the gravitational environment. Both of the synchronous and non-synchronous states of the binary system are considered. For the synchronous binary system, the equilibrium points and their stability are determined, and periodic orbit families emanating from each equilibrium point are generated by using the shooting (multiple shooting) method and the homotopy method, where the homotopy function connects the circular restricted three-body problem and RF3BP. In the non-synchronous binary system, trajectories of equivalent equilibrium points are calculated, and the associated periodic orbits are obtained by using the homotopy method, where the homotopy function connects the synchronous and non-synchronous systems. Although only the binary (66391) 1999 KW4 is considered, our methods will also be well applicable to other binary systems with polyhedron shape data. Our results on equilibrium points and associated periodic orbits provide general insights into the dynamical environment and orbital behaviors in proximity of small binary asteroids and enable the trajectory design and mission operations in future binary system explorations.

DISCOVERY OF A HIGHLY UNEQUAL-MASS BINARY T DWARF WITH KECK LASER GUIDE STAR ADAPTIVE OPTICS: A COEVALITY TEST OF SUBSTELLAR THEORETICAL MODELS AND EFFECTIVE TEMPERATURES

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

Liu, Michael C.; Dupuy, Trent J.; Leggett, S. K., E-mail: mliu@ifa.hawaii.ed

Highly unequal-mass ratio binaries are rare among field brown dwarfs, with the mass ratio distribution of the known census described by q {sup (4.9{+-}0.7)}. However, such systems enable a unique test of the joint accuracy of evolutionary and atmospheric models, under the constraint of coevality for the individual components (the 'isochrone test'). We carry out this test using two of the most extreme field substellar binaries currently known, the T1 + T6 {epsilon} Ind Bab binary and a newly discovered 0.''14 T2.0 + T7.5 binary, 2MASS J12095613-1004008AB, identified with Keck laser guide star adaptive optics. The latter is the mostmore » extreme tight binary resolved to date (q {approx} 0.5). Based on the locations of the binary components on the Hertzsprung-Russell (H-R) diagram, current models successfully indicate that these two systems are coeval, with internal age differences of log(age) = -0.8 {+-} 1.3(-1.0{sup +1.2}{sub -1.3}) dex and 0.5{sup +0.4}{sub -0.3}(0.3{sup +0.3}{sub -0.4}) dex for 2MASS J1209-1004AB and {epsilon} Ind Bab, respectively, as inferred from the Lyon (Tucson) models. However, the total mass of {epsilon} Ind Bab derived from the H-R diagram ({approx} 80 M{sub Jup} using the Lyon models) is strongly discrepant with the reported dynamical mass. This problem, which is independent of the assumed age of the {epsilon} Ind Bab system, can be explained by a {approx} 50-100 K systematic error in the model atmosphere fitting, indicating slightly warmer temperatures for both components; bringing the mass determinations from the H-R diagram and the visual orbit into consistency leads to an inferred age of {approx} 6 Gyr for {epsilon} Ind Bab, older than previously assumed. Overall, the two T dwarf binaries studied here, along with recent results from T dwarfs in age and mass benchmark systems, yield evidence for small ({approx}100 K) errors in the evolutionary models and/or model atmospheres, but not significantly larger. Future parallax, resolved spectroscopy, and dynamical mass measurements for 2MASS J1209-1004AB will enable a more stringent application of the isochrone test. Finally, the binary nature of this object reduces its utility as the primary T3 near-IR spectral typing standard; we suggest SDSS J1206+2813 as a replacement.« less

The incidence of stellar mergers and mass gainers among massive stars

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

De Mink, S. E.; Sana, H.; Langer, N.

2014-02-10

Because the majority of massive stars are born as members of close binary systems, populations of massive main-sequence stars contain stellar mergers and products of binary mass transfer. We simulate populations of massive stars accounting for all major binary evolution effects based on the most recent binary parameter statistics and extensively evaluate the effect of model uncertainties. Assuming constant star formation, we find that 8{sub −4}{sup +9}% of a sample of early-type stars are the products of a merger resulting from a close binary system. In total we find that 30{sub −15}{sup +10}% of massive main-sequence stars are the productsmore » of binary interaction. We show that the commonly adopted approach to minimize the effects of binaries on an observed sample by excluding systems detected as binaries through radial velocity campaigns can be counterproductive. Systems with significant radial velocity variations are mostly pre-interaction systems. Excluding them substantially enhances the relative incidence of mergers and binary products in the non-radial velocity variable sample. This poses a challenge for testing single stellar evolutionary models. It also raises the question of whether certain peculiar classes of stars, such as magnetic O stars, are the result of binary interaction and it emphasizes the need to further study the effect of binarity on the diagnostics that are used to derive the fundamental properties (star-formation history, initial mass function, mass-to-light ratio) of stellar populations nearby and at high redshift.« less

Dynamics of rotationally fissioned asteroids: Source of observed small asteroid systems

NASA Astrophysics Data System (ADS)

Jacobson, Seth A.; Scheeres, Daniel J.

2011-07-01

We present a model of near-Earth asteroid (NEA) rotational fission and ensuing dynamics that describes the creation of synchronous binaries and all other observed NEA systems including: doubly synchronous binaries, high- e binaries, ternary systems, and contact binaries. Our model only presupposes the Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) effect, "rubble pile" asteroid geophysics, and gravitational interactions. The YORP effect torques a "rubble pile" asteroid until the asteroid reaches its fission spin limit and the components enter orbit about each other (Scheeres, D.J. [2007]. Icarus 189, 370-385). Non-spherical gravitational potentials couple the spin states to the orbit state and chaotically drive the system towards the observed asteroid classes along two evolutionary tracks primarily distinguished by mass ratio. Related to this is a new binary process termed secondary fission - the secondary asteroid of the binary system is rotationally accelerated via gravitational torques until it fissions, thus creating a chaotic ternary system. The initially chaotic binary can be stabilized to create a synchronous binary by components of the fissioned secondary asteroid impacting the primary asteroid, solar gravitational perturbations, and mutual body tides. These results emphasize the importance of the initial component size distribution and configuration within the parent asteroid. NEAs may go through multiple binary cycles and many YORP-induced rotational fissions during their approximately 10 Myr lifetime in the inner Solar System. Rotational fission and the ensuing dynamics are responsible for all NEA systems including the most commonly observed synchronous binaries.

Binary mixture of Satureja hortensis and Origanum vulgare subsp. hirtum essential oils: in vivo therapeutic efficiency against Helicobacter pylori infection.

PubMed

Harmati, Maria; Gyukity-Sebestyen, Edina; Dobra, Gabriella; Terhes, Gabriella; Urban, Edit; Decsi, Gabor; Mimica-Dukić, Neda; Lesjak, Marija; Simin, Nataša; Pap, Bernadett; Nemeth, Istvan B; Buzas, Krisztina

2017-04-01

Helicobacter pylori can cause many gastrointestinal and also extra-gastrointestinal disorders and is a major risk factor for gastric carcinoma and MALT lymphoma. Currently, numerous antibiotic-based therapies are available; however, these therapies have numerous drawbacks, mainly due to increasing prevalence of antibiotic resistant strains. Thus, there is an urgent need to develop novel therapeutic agents against H. pylori infections. In this study, the anti-H. pylori activity of 2:1 mixture of Satureja hortensis and Origanum vulgare subsp. hirtum essential oils (2MIX) was investigated in vivo. After screening in vitro cytotoxicity of 2MIX on mammalian cell lines, the therapeutic efficiency was studied in a mouse model, where changes in H. pylori colonization were detected by PCR and histology of gastric samples. The immune reaction of mice was tested based on cytokine and chemokine production, and the in vivo toxicity of 2MIX was also investigated by measuring ALT and AST enzyme activities and Cyp3a11 and HO-1 mRNA levels in livers of mice. 2MIX had not shown in vitro cytotoxicity against cell lines, only the highest concentration caused significant decrease in their survival rates. In the in vivo experiments, 2MIX successfully eradicated the pathogen in 70% of the mice. We could not detect toxicity or altered cytokine and chemokine balance after in vivo treatments in mice. These results show that 2MIX is effective in reducing H. pylori colonization suggesting that this essential oil mixture has great potential as a new, effective, and safe therapeutic agent against H. pylori. © 2016 John Wiley & Sons Ltd.

Enhancement of soil retention for phenanthrene in binary cationic gemini and nonionic surfactant mixtures: characterizing two-step adsorption and partition processes through experimental and modeling approaches.

PubMed

Zhao, Shan; Huang, Gordon; An, Chunjiang; Wei, Jia; Yao, Yao

2015-04-09

The enhancement of soil retention for phenanthrene (PHE) through the addition of a binary mixture of cationic gemini (12-2-12) and nonionic surfactants (C12E10) was investigated. The maximum apparent sorption coefficient Kd(*) reached 4247.8 mL/g through the addition of mixed 12-2-12 gemini and C12E10 surfactants, which was markedly higher than the summed individual results in the presence of individual 12-2-12 gemini (1148.6 mL/g) or C12E10 (210.0 mL/g) surfactant. However, the sorption of 12-2-12 gemini was inhibited by the increasing C12E10 dose; and a higher initial 12-2-12 gemini dose showed a higher "desorption" rate. The present study also addressed the sorption behavior of the single 12-2-12 gemini surfactant at the soil/aqueous interface. The sorption isotherm was divided into two steps to elucidate the sorption process; and the sorption schematics were proposed to elaborate the growth of surfactant aggregates corresponding to the various steps of the sorption isotherm. Finally, a two-step adsorption and partition model (TAPM) was developed to simulate the sorption process. Analysis of the equilibrium data indicated that the sorption isotherms of 12-2-12 gemini fitted the TAPM model better. Thermodynamic calculations confirmed that the 12-2-12 gemini sorption at the soil/aqueous interface was spontaneous and exothermic from 288 to 308K. Copyright © 2014 Elsevier B.V. All rights reserved.

Radial Velocities of 41 Kepler Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Matson, Rachel A.; Gies, Douglas R.; Guo, Zhao; Williams, Stephen J.

2017-12-01

Eclipsing binaries are vital for directly determining stellar parameters without reliance on models or scaling relations. Spectroscopically derived parameters of detached and semi-detached binaries allow us to determine component masses that can inform theories of stellar and binary evolution. Here we present moderate resolution ground-based spectra of stars in close binary systems with and without (detected) tertiary companions observed by NASA’s Kepler mission and analyzed for eclipse timing variations. We obtain radial velocities and spectroscopic orbits for five single-lined and 35 double-lined systems, and confirm one false positive eclipsing binary. For the double-lined spectroscopic binaries, we also determine individual component masses and examine the mass ratio {M}2/{M}1 distribution, which is dominated by binaries with like-mass pairs and semi-detached classical Algol systems that have undergone mass transfer. Finally, we constrain the mass of the tertiary component for five double-lined binaries with previously detected companions.

Raman spectroscopic study of synthetic pyrope-grossular garnets: structural implications

NASA Astrophysics Data System (ADS)

Du, Wei; Han, Baofu; Clark, Simon Martin; Wang, Yichuan; Liu, Xi

2018-02-01

A study of the effect of substitution of Mg and Ca in garnet solid solution (Grtss) was carried out using Raman spectroscopy to probe changes to the crystal lattice. The garnet solid solutions with composition changing along pyrope (Py; Mg3Al2Si3O12) and grossular (Gr; Ca3Al2Si3O12) binary were synthesized from glass at 6 GPa and 1400 °C and a second series of Grtss with composition Py40Gr60 were synthesized at 6 GPa but different temperatures from 1000 to 1400 °C. Raman mode assignments were made based on a comparison with the two end members pyrope and grossular, which show consistent result with literature study on single crystals data. The correlation between the Raman mode frequencies and compositional changes along the pyrope-grossular binary suggests a two-mode behavior for Mg and Ca cations in the garnet structure. The full widths at half-maximum of selected Raman modes increase on moving away from the end members and are about double the end-member values in the mid-position, where the frequencies closely linearly change with composition. The frequencies of the translational modes of the SiO4 tetrahedron (T(SiO4)) show large deviations from linearity indicating a strong kinematic coupling with the translational modes of the Ca and Mg cations. The anomalies in T(SiO4) are linked to mixing unit cell volume, suggesting that the nonlinear mixing volume behavior along the pyrope-grossular binary is related to the resistance of the Si-O bond to expansion and compression, which is caused by substitution of Mg and Ca cations in the dodecahedral sites. Annealing temperature also shows effect on Raman mode frequencies, but the main factor controlling the changes in mode frequencies along pyrope-grossular binary is composition.

Mass transfer in white dwarf-neutron star binaries

NASA Astrophysics Data System (ADS)

Bobrick, Alexey; Davies, Melvyn B.; Church, Ross P.

2017-05-01

We perform hydrodynamic simulations of mass transfer in binaries that contain a white dwarf and a neutron star (WD-NS binaries), and measure the specific angular momentum of material lost from the binary in disc winds. By incorporating our results within a long-term evolution model, we measure the long-term stability of mass transfer in these binaries. We find that only binaries containing helium white dwarfs (WDs) with masses less than a critical mass of MWD, crit = 0.2 M⊙ undergo stable mass transfer and evolve into ultracompact X-ray binaries. Systems with higher mass WDs experience unstable mass transfer, which leads to tidal disruption of the WD. Our low critical mass compared to the standard jet-only model of mass-loss arises from the efficient removal of angular momentum in the mechanical disc winds, which develop at highly super-Eddington mass-transfer rates. We find that the eccentricities expected for WD-NS binaries when they come into contact do not affect the loss of angular momentum, and can only affect the long-term evolution if they change on shorter time-scales than the mass-transfer rate. Our results are broadly consistent with the observed numbers of both ultracompact X-ray binaries and radio pulsars with WD companions. The observed calcium-rich gap transients are consistent with the merger rate of unstable systems with higher mass WDs.

Binary black hole mergers from globular clusters: Masses, merger rates, and the impact of stellar evolution

NASA Astrophysics Data System (ADS)

Rodriguez, Carl L.; Chatterjee, Sourav; Rasio, Frederic A.

2016-04-01

The recent discovery of GW150914, the binary black hole merger detected by Advanced LIGO, has the potential to revolutionize observational astrophysics. But to fully utilize this new window into the Universe, we must compare these new observations to detailed models of binary black hole formation throughout cosmic time. Expanding upon our previous work [C. L. Rodriguez, M. Morscher, B. Pattabiraman, S. Chatterjee, C.-J. Haster, and F. A. Rasio, Phys. Rev. Lett. 115, 051101 (2015).], we study merging binary black holes formed in globular clusters using our Monte Carlo approach to stellar dynamics. We have created a new set of 52 cluster models with different masses, metallicities, and radii to fully characterize the binary black hole merger rate. These models include all the relevant dynamical processes (such as two-body relaxation, strong encounters, and three-body binary formation) and agree well with detailed direct N -body simulations. In addition, we have enhanced our stellar evolution algorithms with updated metallicity-dependent stellar wind and supernova prescriptions, allowing us to compare our results directly to the most recent population synthesis predictions for merger rates from isolated binary evolution. We explore the relationship between a cluster's global properties and the population of binary black holes that it produces. In particular, we derive a numerically calibrated relationship between the merger times of ejected black hole binaries and a cluster's mass and radius. With our improved treatment of stellar evolution, we find that globular clusters can produce a significant population of massive black hole binaries that merge in the local Universe. We explore the masses and mass ratios of these binaries as a function of redshift, and find a merger rate of ˜5 Gpc-3yr-1 in the local Universe, with 80% of sources having total masses from 32 M⊙ to 64 M⊙. Under standard assumptions, approximately one out of every seven binary black hole mergers in the local Universe will have originated in a globular cluster, but we also explore the sensitivity of this result to different assumptions for binary stellar evolution. If black holes were born with significant natal kicks, comparable to those of neutron stars, then the merger rate of binary black holes from globular clusters would be comparable to that from the field, with approximately 1 /2 of mergers originating in clusters. Finally we point out that population synthesis results for the field may also be modified by dynamical interactions of binaries taking place in dense star clusters which, unlike globular clusters, dissolved before the present day.

Microfluidic circuit analysis II: implications of ion conservation for microchannels connected in series.

PubMed

Biscombe, Christian J C; Davidson, Malcolm R; Harvie, Dalton J E

2012-01-01

A mathematical framework for analysing electrokinetic flow in microchannel networks is outlined. The model is based on conservation of volume and total charge at network junctions, but in contrast to earlier theories also incorporates conservation of ion charge there. The model is applied to mixed pressure-driven/electro-osmotic flows of binary electrolytes through homogeneous microchannels as well as a 4:1:4 contraction-expansion series network. Under conditions of specified volumetric flow rate and ion currents, non-linear steady-state phenomena may arise: when the direction of the net co-ion flux is opposite to the direction of the net volumetric flow, two different fully developed, steady-state flow solutions may be obtained. Model predictions are compared with two-dimensional computational fluid dynamics (CFD) simulations. For systems where two steady states are realisable, the ultimate steady behaviour is shown to depend in part upon the initial state of the system. Copyright © 2011 Elsevier Inc. All rights reserved.

Exclusion probabilities and likelihood ratios with applications to mixtures.

PubMed

Slooten, Klaas-Jan; Egeland, Thore

2016-01-01

The statistical evidence obtained from mixed DNA profiles can be summarised in several ways in forensic casework including the likelihood ratio (LR) and the Random Man Not Excluded (RMNE) probability. The literature has seen a discussion of the advantages and disadvantages of likelihood ratios and exclusion probabilities, and part of our aim is to bring some clarification to this debate. In a previous paper, we proved that there is a general mathematical relationship between these statistics: RMNE can be expressed as a certain average of the LR, implying that the expected value of the LR, when applied to an actual contributor to the mixture, is at least equal to the inverse of the RMNE. While the mentioned paper presented applications for kinship problems, the current paper demonstrates the relevance for mixture cases, and for this purpose, we prove some new general properties. We also demonstrate how to use the distribution of the likelihood ratio for donors of a mixture, to obtain estimates for exceedance probabilities of the LR for non-donors, of which the RMNE is a special case corresponding to L R>0. In order to derive these results, we need to view the likelihood ratio as a random variable. In this paper, we describe how such a randomization can be achieved. The RMNE is usually invoked only for mixtures without dropout. In mixtures, artefacts like dropout and drop-in are commonly encountered and we address this situation too, illustrating our results with a basic but widely implemented model, a so-called binary model. The precise definitions, modelling and interpretation of the required concepts of dropout and drop-in are not entirely obvious, and we attempt to clarify them here in a general likelihood framework for a binary model.

A Unidimensional Item Response Model for Unfolding Responses from a Graded Disagree-Agree Response Scale.

ERIC Educational Resources Information Center

Roberts, James S.; Laughlin, James E.

1996-01-01

A parametric item response theory model for unfolding binary or graded responses is developed. The graded unfolding model (GUM) is a generalization of the hyperbolic cosine model for binary data of D. Andrich and G. Luo (1993). Applicability of the GUM to attitude testing is illustrated with real data. (SLD)

Least Squares Distance Method of Cognitive Validation and Analysis for Binary Items Using Their Item Response Theory Parameters

ERIC Educational Resources Information Center

Dimitrov, Dimiter M.

2007-01-01

The validation of cognitive attributes required for correct answers on binary test items or tasks has been addressed in previous research through the integration of cognitive psychology and psychometric models using parametric or nonparametric item response theory, latent class modeling, and Bayesian modeling. All previous models, each with their…

KOI-3278: a self-lensing binary star system.

PubMed

Kruse, Ethan; Agol, Eric

2014-04-18

Over 40% of Sun-like stars are bound in binary or multistar systems. Stellar remnants in edge-on binary systems can gravitationally magnify their companions, as predicted 40 years ago. By using data from the Kepler spacecraft, we report the detection of such a "self-lensing" system, in which a 5-hour pulse of 0.1% amplitude occurs every orbital period. The white dwarf stellar remnant and its Sun-like companion orbit one another every 88.18 days, a long period for a white dwarf-eclipsing binary. By modeling the pulse as gravitational magnification (microlensing) along with Kepler's laws and stellar models, we constrain the mass of the white dwarf to be ~63% of the mass of our Sun. Further study of this system, and any others discovered like it, will help to constrain the physics of white dwarfs and binary star evolution.

The Eclipsing Central Stars of the Planetary Nebulae Lo 16 and PHR J1040-5417

NASA Astrophysics Data System (ADS)

Hillwig, Todd C.; Frew, David; Jones, David; Crispo, Danielle

2017-01-01

Binary central stars of planetary nebula are a valuable tool in understanding common envelope evolution. In these cases both the resulting close binary system and the expanding envelope (the planetary nebula) can be studied directly. In order to compare observed systems with common envelope evolution models we need to determine precise physical parameters of the binaries and the nebulae. Eclipsing central stars provide us with the best opportunity to determine high precision values for mass, radius, and temperature of the component stars in these close binaries. We present photometry and spectroscopy for two of these eclipsing systems; the central stars of Lo 16 and PHR 1040-5417. Using light curves and radial velocity curves along with binary modeling we provide physical parameters for the stars in both of these systems.

Population of Nuclei Via 7Li-Induced Binary Reactions

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

Clark, Rodney M.; Phair, Larry W.; Descovich, M.

2005-08-08

The authors have investigated the population of nuclei formed in binary reactions involving {sup 7}Li beams on targets of {sup 160}Gd and {sup 184}W. The {sup 7}Li + {sup 184}W data were taken in the first experiment using the LIBERACE Ge-array in combination with the STARS Si {Delta}E-E telescope system at the 88-Inch Cyclotron of the Lawrence Berkeley National Laboratory. By using the Wilczynski binary transfer model, in combination with a standard evaporation model, they are able to reproduce the experimental results. This is a useful method for predicting the population of neutron-rich heavy nuclei formed in binary reactions involvingmore » beams of weakly bound nuclei formed in binary reactions involving beams of weakly bound nuclei and will be of use in future spectroscopic studies.« less

Network structure of Mo-oxide glasses

NASA Astrophysics Data System (ADS)

Fabian, M.; Svab, E.; Milanova, M.; Krezhov, K.

2017-01-01

The structure of molybdate glasses have been investigated by neutron and high-energy X-ray diffraction coupled with Reverse Monte Carlo (RMC) simulation technique. From the modelling the partial atomic correlation functions g ij(r), the coordination number distributions CN ij and bond angle distributions have been revealed. For binary 90MoO3-10Nd2O3 glass composition the fraction of MoO4/MoO6 was 0.55/0.25. Three type of ternary system have been studied, where the most important structural units was authenticated. For MoO3-Nd2O3-B2O3 sample mixed MoO4-BO4 and MoO4-BO3 linkages form pronounced intermediate-range order. In case of MoO3-ZnO-B2O3 series the BO3 and BO4 units are linked to MoO4 and/or ZnO4, forming mixed MoO4-BO4(BO3), MoO4-ZnO4 and ZnO4-BO4(BO3) bond-linkages.

Calculating Mass Diffusion in High-Pressure Binary Fluids

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth

2004-01-01

A comprehensive mathematical model of mass diffusion has been developed for binary fluids at high pressures, including critical and supercritical pressures. Heretofore, diverse expressions, valid for limited parameter ranges, have been used to correlate high-pressure binary mass-diffusion-coefficient data. This model will likely be especially useful in the computational simulation and analysis of combustion phenomena in diesel engines, gas turbines, and liquid rocket engines, wherein mass diffusion at high pressure plays a major role.

Modeling gas displacement kinetics in coal with Maxwell-Stefan diffusion theory

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

Wei, X.R.; Wang, G.X.; Massarotto, P.

2007-12-15

The kinetics of binary gas counter-diffusion and Darcy flow in a large coal sample were modeled, and the results compared with data from experimental laboratory investigations. The study aimed for a better understanding of the CO{sub 2}-sequestration enhanced coalbed methane (ECBM) recovery process. The transport model used was based on the bidisperse diffusion mechanism and Maxwell-Stefan (MS) diffusion theory. This provides an alternative approach to simulate multicomponent gas diffusion and flow in bulk coals. A series of high-stress core flush tests were performed on a large coal sample sourced from a Bowen Basin coal mine in Queensland, Australia to investigatemore » the kinetics of one gas displacing another. These experimental results were used to derive gas diffusivities, and to examine the predictive capability of the diffusion model. The simulations show good agreements with the displacement experiments revealing that MS diffusion theory is superior for describing diffusion of mixed gases in coals compared with the constant Fick diffusivity model. The optimized effective micropore and macropore diffusivities are comparable with experimental measurements achieved by other researchers.« less

Coevolution of Binaries and Circumbinary Gaseous Disks

NASA Astrophysics Data System (ADS)

Fleming, David; Quinn, Thomas R.

2018-04-01

The recent discoveries of circumbinary planets by Kepler raise questions for contemporary planet formation models. Understanding how these planets form requires characterizing their formation environment, the circumbinary protoplanetary disk, and how the disk and binary interact. The central binary excites resonances in the surrounding protoplanetary disk that drive evolution in both the binary orbital elements and in the disk. To probe how these interactions impact both binary eccentricity and disk structure evolution, we ran N-body smooth particle hydrodynamics (SPH) simulations of gaseous protoplanetary disks surrounding binaries based on Kepler 38 for 10^4 binary orbital periods for several initial binary eccentricities. We find that nearly circular binaries weakly couple to the disk via a parametric instability and excite disk eccentricity growth. Eccentric binaries strongly couple to the disk causing eccentricity growth for both the disk and binary. Disks around sufficiently eccentric binaries strongly couple to the disk and develop an m = 1 spiral wave launched from the 1:3 eccentric outer Lindblad resonance (EOLR). This wave corresponds to an alignment of gas particle longitude of periastrons. We find that in all simulations, the binary semi-major axis decays due to dissipation from the viscous disk.

Eastern cottonwood clonal mixing study: intergenotypic competition effects

Treesearch

G. Sam Foster; R.J. Rousseau; W.L Nance

1998-01-01

Intergenotypic competition of seven clones of eastern cottonwood (Populus deltoides) was evaluated in a replacement series experiment. A partial diallel competition design was used to choose pairs (binary sets) of clones for plot type treatments. Two separate treatments were established for each pair of clones, namely (1) 75 percent clone A: 25 percent clone B and (2)...

Asteroseismic inversions in the Kepler era: application to the Kepler Legacy sample

NASA Astrophysics Data System (ADS)

Buldgen, Gaël; Reese, Daniel; Dupret, Marc-Antoine

2017-10-01

In the past few years, the CoRoT and Kepler missions have carried out what is now called the space photometry revolution. This revolution is still ongoing thanks to K2 and will be continued by the Tess and Plato2.0 missions. However, the photometry revolution must also be followed by progress in stellar modelling, in order to lead to more precise and accurate determinations of fundamental stellar parameters such as masses, radii and ages. In this context, the long-lasting problems related to mixing processes in stellar interior is the main obstacle to further improvements of stellar modelling. In this contribution, we will apply structural asteroseismic inversion techniques to targets from the Kepler Legacy sample and analyse how these can help us constrain the fundamental parameters and mixing processes in these stars. Our approach is based on previous studies using the SOLA inversion technique [1] to determine integrated quantities such as the mean density [2], the acoustic radius, and core conditions indicators [3], and has already been successfully applied to the 16Cyg binary system [4]. We will show how this technique can be applied to the Kepler Legacy sample and how new indicators can help us to further constrain the chemical composition profiles of stars as well as provide stringent constraints on stellar ages.

Identifying Pleiotropic Genes in Genome-Wide Association Studies for Multivariate Phenotypes with Mixed Measurement Scales

PubMed Central

Williams, L. Keoki; Buu, Anne

2017-01-01

We propose a multivariate genome-wide association test for mixed continuous, binary, and ordinal phenotypes. A latent response model is used to estimate the correlation between phenotypes with different measurement scales so that the empirical distribution of the Fisher’s combination statistic under the null hypothesis is estimated efficiently. The simulation study shows that our proposed correlation estimation methods have high levels of accuracy. More importantly, our approach conservatively estimates the variance of the test statistic so that the type I error rate is controlled. The simulation also shows that the proposed test maintains the power at the level very close to that of the ideal analysis based on known latent phenotypes while controlling the type I error. In contrast, conventional approaches–dichotomizing all observed phenotypes or treating them as continuous variables–could either reduce the power or employ a linear regression model unfit for the data. Furthermore, the statistical analysis on the database of the Study of Addiction: Genetics and Environment (SAGE) demonstrates that conducting a multivariate test on multiple phenotypes can increase the power of identifying markers that may not be, otherwise, chosen using marginal tests. The proposed method also offers a new approach to analyzing the Fagerström Test for Nicotine Dependence as multivariate phenotypes in genome-wide association studies. PMID:28081206

Changes in the isotopic and chemical composition of ground water resulting from a recharge pulse from a sinking stream

NASA Astrophysics Data System (ADS)

Katz, Brian G.; Catches, John S.; Bullen, Thomas D.; Michel, Robert L.

1998-11-01

The Little River, an ephemeral stream that drains a watershed of approximately 88 km 2 in northern Florida, disappears into a series of sinkholes along the Cody Scarp and flows directly into the carbonate Upper Floridan aquifer, the source of water supply in northern Florida. The changes in the geochemistry of ground water caused by a major recharge pulse from the sinking stream were investigated using chemical and isotopic tracers and mass-balance modeling techniques. Nine monitoring wells were installed open to the uppermost part of the aquifer in areas near the sinks where numerous subterranean karst solution features were identified using ground penetrating radar. During high-flow conditions in the Little River, the chemistry of water in some of the monitoring wells changed, reflecting the mixing of river water with ground water. Rapid recharge of river water into some parts of the aquifer during high-flow conditions was indicated by enriched values of delta 18O and delta deuterium (-1.67 to -3.17 per mil and -9.2 to -15.6 per mil, respectively), elevated concentrations of tannic acid, higher (more radiogenic) 87Sr/ 86Sr ratios, and lower concentrations of 222Rn, silica, and alkalinity compared to low-flow conditions. The proportion of river water that mixed with ground water ranged from 0.10 to 0.67 based on binary mixing models using the tracers 18O, deuterium, tannic acid, silica, 222Rn, and 87Sr/ 86Sr. On the basis of mass-balance modeling during steady-state flow conditions, the dominant processes controlling carbon cycling in ground water are the dissolution of calcite and dolomite in aquifer material, and aerobic degradation of organic matter.

Binary logistic regression-Instrument for assessing museum indoor air impact on exhibits.

PubMed

Bucur, Elena; Danet, Andrei Florin; Lehr, Carol Blaziu; Lehr, Elena; Nita-Lazar, Mihai

2017-04-01

This paper presents a new way to assess the environmental impact on historical artifacts using binary logistic regression. The prediction of the impact on the exhibits during certain pollution scenarios (environmental impact) was calculated by a mathematical model based on the binary logistic regression; it allows the identification of those environmental parameters from a multitude of possible parameters with a significant impact on exhibitions and ranks them according to their severity effect. Air quality (NO 2 , SO 2 , O 3 and PM 2.5 ) and microclimate parameters (temperature, humidity) monitoring data from a case study conducted within exhibition and storage spaces of the Romanian National Aviation Museum Bucharest have been used for developing and validating the binary logistic regression method and the mathematical model. The logistic regression analysis was used on 794 data combinations (715 to develop of the model and 79 to validate it) by a Statistical Package for Social Sciences (SPSS 20.0). The results from the binary logistic regression analysis demonstrated that from six parameters taken into consideration, four of them present a significant effect upon exhibits in the following order: O 3 >PM 2.5 >NO 2 >humidity followed at a significant distance by the effects of SO 2 and temperature. The mathematical model, developed in this study, correctly predicted 95.1 % of the cumulated effect of the environmental parameters upon the exhibits. Moreover, this model could also be used in the decisional process regarding the preventive preservation measures that should be implemented within the exhibition space. The paper presents a new way to assess the environmental impact on historical artifacts using binary logistic regression. The mathematical model developed on the environmental parameters analyzed by the binary logistic regression method could be useful in a decision-making process establishing the best measures for pollution reduction and preventive preservation of exhibits.

Adiabatic Mass Loss Model in Binary Stars

NASA Astrophysics Data System (ADS)

Ge, H. W.

2012-07-01

Rapid mass transfer process in the interacting binary systems is very complicated. It relates to two basic problems in the binary star evolution, i.e., the dynamically unstable Roche-lobe overflow and the common envelope evolution. Both of the problems are very important and difficult to be modeled. In this PhD thesis, we focus on the rapid mass loss process of the donor in interacting binary systems. The application to the criterion of dynamically unstable mass transfer and the common envelope evolution are also included. Our results based on the adiabatic mass loss model could be used to improve the binary evolution theory, the binary population synthetic method, and other related aspects. We build up the adiabatic mass loss model. In this model, two approximations are included. The first one is that the energy generation and heat flow through the stellar interior can be neglected, hence the restructuring is adiabatic. The second one is that he stellar interior remains in hydrostatic equilibrium. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed. These approximations are validated by the comparison with the time-dependent binary mass transfer calculations and the polytropic model for low mass zero-age main-sequence stars. In the dynamical time scale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal time scale mass transfer, so-called delayed dynamical instability. We identify the critical binary mass ratio for the onset of dynamical time scale mass transfer; if the ratio of donor to accretor masses exceeds this critical value, the dynamical time scale mass transfer ensues. The grid of criterion for all stars can be used to be the basic input as the binary population synthetic method, which will be improved absolutely. In common envelope evolution, the dissipation of orbital energy of the binary provides the energy to eject the common envelope; the energy budget for this process essentially consists of the initial orbital energy of the binary and the initial binding energies of the binary components. We emphasize that, because stellar core and envelope contribute mutually to each other's gravitational potential energy, proper evaluation of the total energy of a star requires integration over the entire stellar interior, not the ejected envelope alone as commonly assumed. We show that the change in total energy of the donor star, as a function of its remaining mass along an adiabatic mass-loss sequence, can be calculated. This change in total energy of the donor star, combined with the requirement that both remnant donor and its companion star fit within their respective Roche lobes, then circumscribes energetically possible survivors of common envelope evolution. It is the first time that we can calculate the accurate total energy of the donor star in common envelope evolution, while the results with the old method are inconsistent with observations.

The Impact of Sample Size and Other Factors When Estimating Multilevel Logistic Models

ERIC Educational Resources Information Center

Schoeneberger, Jason A.

2016-01-01

The design of research studies utilizing binary multilevel models must necessarily incorporate knowledge of multiple factors, including estimation method, variance component size, or number of predictors, in addition to sample sizes. This Monte Carlo study examined the performance of random effect binary outcome multilevel models under varying…

Currency Arbitrage Detection Using a Binary Integer Programming Model

ERIC Educational Resources Information Center

Soon, Wanmei; Ye, Heng-Qing

2011-01-01

In this article, we examine the use of a new binary integer programming (BIP) model to detect arbitrage opportunities in currency exchanges. This model showcases an excellent application of mathematics to the real world. The concepts involved are easily accessible to undergraduate students with basic knowledge in Operations Research. Through this…

A GDP-driven model for the binary and weighted structure of the International Trade Network

NASA Astrophysics Data System (ADS)

Almog, Assaf; Squartini, Tiziano; Garlaschelli, Diego

2015-01-01

Recent events such as the global financial crisis have renewed the interest in the topic of economic networks. One of the main channels of shock propagation among countries is the International Trade Network (ITN). Two important models for the ITN structure, the classical gravity model of trade (more popular among economists) and the fitness model (more popular among networks scientists), are both limited to the characterization of only one representation of the ITN. The gravity model satisfactorily predicts the volume of trade between connected countries, but cannot reproduce the missing links (i.e. the topology). On the other hand, the fitness model can successfully replicate the topology of the ITN, but cannot predict the volumes. This paper tries to make an important step forward in the unification of those two frameworks, by proposing a new gross domestic product (GDP) driven model which can simultaneously reproduce the binary and the weighted properties of the ITN. Specifically, we adopt a maximum-entropy approach where both the degree and the strength of each node are preserved. We then identify strong nonlinear relationships between the GDP and the parameters of the model. This ultimately results in a weighted generalization of the fitness model of trade, where the GDP plays the role of a ‘macroeconomic fitness’ shaping the binary and the weighted structure of the ITN simultaneously. Our model mathematically explains an important asymmetry in the role of binary and weighted network properties, namely the fact that binary properties can be inferred without the knowledge of weighted ones, while the opposite is not true.

Self-Supervised Video Hashing With Hierarchical Binary Auto-Encoder.

PubMed

Song, Jingkuan; Zhang, Hanwang; Li, Xiangpeng; Gao, Lianli; Wang, Meng; Hong, Richang

2018-07-01

Existing video hash functions are built on three isolated stages: frame pooling, relaxed learning, and binarization, which have not adequately explored the temporal order of video frames in a joint binary optimization model, resulting in severe information loss. In this paper, we propose a novel unsupervised video hashing framework dubbed self-supervised video hashing (SSVH), which is able to capture the temporal nature of videos in an end-to-end learning to hash fashion. We specifically address two central problems: 1) how to design an encoder-decoder architecture to generate binary codes for videos and 2) how to equip the binary codes with the ability of accurate video retrieval. We design a hierarchical binary auto-encoder to model the temporal dependencies in videos with multiple granularities, and embed the videos into binary codes with less computations than the stacked architecture. Then, we encourage the binary codes to simultaneously reconstruct the visual content and neighborhood structure of the videos. Experiments on two real-world data sets show that our SSVH method can significantly outperform the state-of-the-art methods and achieve the current best performance on the task of unsupervised video retrieval.

Self-Supervised Video Hashing With Hierarchical Binary Auto-Encoder

NASA Astrophysics Data System (ADS)

Song, Jingkuan; Zhang, Hanwang; Li, Xiangpeng; Gao, Lianli; Wang, Meng; Hong, Richang

2018-07-01

Existing video hash functions are built on three isolated stages: frame pooling, relaxed learning, and binarization, which have not adequately explored the temporal order of video frames in a joint binary optimization model, resulting in severe information loss. In this paper, we propose a novel unsupervised video hashing framework dubbed Self-Supervised Video Hashing (SSVH), that is able to capture the temporal nature of videos in an end-to-end learning-to-hash fashion. We specifically address two central problems: 1) how to design an encoder-decoder architecture to generate binary codes for videos; and 2) how to equip the binary codes with the ability of accurate video retrieval. We design a hierarchical binary autoencoder to model the temporal dependencies in videos with multiple granularities, and embed the videos into binary codes with less computations than the stacked architecture. Then, we encourage the binary codes to simultaneously reconstruct the visual content and neighborhood structure of the videos. Experiments on two real-world datasets (FCVID and YFCC) show that our SSVH method can significantly outperform the state-of-the-art methods and achieve the currently best performance on the task of unsupervised video retrieval.

Dynamical evolution of a fictitious population of binary Neptune Trojans

NASA Astrophysics Data System (ADS)

Brunini, Adrián

2018-03-01

We present numerical simulations of the evolution of a synthetic population of Binary Neptune Trojans, under the influence of the solar perturbations and tidal friction (the so-called Kozai cycles and tidal friction evolution). Our model includes the dynamical influence of the four giant planets on the heliocentric orbit of the binary centre of mass. In this paper, we explore the evolution of initially tight binaries around the Neptune L4 Lagrange point. We found that the variation of the heliocentric orbital elements due to the libration around the Lagrange point introduces significant changes in the orbital evolution of the binaries. Collisional processes would not play a significant role in the dynamical evolution of Neptune Trojans. After 4.5 × 109 yr of evolution, ˜50 per cent of the synthetic systems end up separated as single objects, most of them with slow diurnal rotation rate. The final orbital distribution of the surviving binary systems is statistically similar to the one found for Kuiper Belt Binaries when collisional evolution is not included in the model. Systems composed by a primary and a small satellite are more fragile than the ones composed by components of similar sizes.

Method for producing nanocrystalline multicomponent and multiphase materials

DOEpatents

Eastman, Jeffrey A.; Rittner, Mindy N.; Youngdahl, Carl J.; Weertman, Julia R.

1998-01-01

A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

Transport properties of nonelectrolyte liquid mixtures. VIII. Viscosity coefficients for toluene and for three mixtures of toluene + hexane from 25 to 100°C at pressures up to 500 MPa

NASA Astrophysics Data System (ADS)

Dymond, J. H.; Awan, M. A.; Glen, N. F.; Isdale, J. D.

1991-03-01

Viscosity coefficients measured using a two-coil self-centering falling-body viscometer are reported for toluene and three binary mixtures of toluene + n-hexane at 25, 50, 75, and 100°C at pressures up to 500 MPa. The data for a given composition at different temperatures and pressures are correlated very satisfactorily by a plot of reduced viscosity η * versus log V', where V'= V· V 0(TR)/V0(T) and V 0 represents a characteristic volume. The binary mixture data are well represented by the Grunberg and Nissan equation with a mixing parameter which is pressure dependent but composition and temperature independent.

A globally accurate theory for a class of binary mixture models

NASA Astrophysics Data System (ADS)

Dickman, Adriana G.; Stell, G.

The self-consistent Ornstein-Zernike approximation results for the 3D Ising model are used to obtain phase diagrams for binary mixtures described by decorated models, yielding the plait point, binodals, and closed-loop coexistence curves for the models proposed by Widom, Clark, Neece, and Wheeler. The results are in good agreement with series expansions and experiments.

Theoretical studies of binaries in astrophysics

NASA Astrophysics Data System (ADS)

Dischler, Johann Sebastian

This thesis introduces and summarizes four papers dealing with computer simulations of astrophysical processes involving binaries. The first part gives the rational and theoretical background to these papers. In paper I and II a statistical approach to studying eclipsing binaries is described. By using population synthesis models for binaries the probabilities for eclipses are calculated for different luminosity classes of binaries. These are compared with Hipparcos data and they agree well if one uses a standard input distribution for the orbit sizes. If one uses a random pairing model, where both companions are independently picked from an IMF, one finds too feclipsing binaries by an order of magnitude. In paper III we investigate a possible scenario for the origin of the stars observed close to the centre of our galaxy, called S stars. We propose that a cluster falls radially cowards the central black hole. The binaries within the cluster can then, if they have small impact parameters, be broken up by the black hole's tidal held and one of the components of the binary will be captured by the black hole. Paper IV investigates how the onset of mass transfer in eccentric binaries depends on the eccentricity. To do this we have developed a new two-phase SPH scheme where very light particles are at tire outer edge of our simulated star. This enables us to get a much better resolution of the very small mass that is transferred in close binaries. Our simulations show that the minimum required distance between the stars to have mass transfer decreases with the eccentricity.

Estimating relative risks in multicenter studies with a small number of centers - which methods to use? A simulation study.

PubMed

Pedroza, Claudia; Truong, Van Thi Thanh

2017-11-02

Analyses of multicenter studies often need to account for center clustering to ensure valid inference. For binary outcomes, it is particularly challenging to properly adjust for center when the number of centers or total sample size is small, or when there are few events per center. Our objective was to evaluate the performance of generalized estimating equation (GEE) log-binomial and Poisson models, generalized linear mixed models (GLMMs) assuming binomial and Poisson distributions, and a Bayesian binomial GLMM to account for center effect in these scenarios. We conducted a simulation study with few centers (≤30) and 50 or fewer subjects per center, using both a randomized controlled trial and an observational study design to estimate relative risk. We compared the GEE and GLMM models with a log-binomial model without adjustment for clustering in terms of bias, root mean square error (RMSE), and coverage. For the Bayesian GLMM, we used informative neutral priors that are skeptical of large treatment effects that are almost never observed in studies of medical interventions. All frequentist methods exhibited little bias, and the RMSE was very similar across the models. The binomial GLMM had poor convergence rates, ranging from 27% to 85%, but performed well otherwise. The results show that both GEE models need to use small sample corrections for robust SEs to achieve proper coverage of 95% CIs. The Bayesian GLMM had similar convergence rates but resulted in slightly more biased estimates for the smallest sample sizes. However, it had the smallest RMSE and good coverage across all scenarios. These results were very similar for both study designs. For the analyses of multicenter studies with a binary outcome and few centers, we recommend adjustment for center with either a GEE log-binomial or Poisson model with appropriate small sample corrections or a Bayesian binomial GLMM with informative priors.

A Chandra X-Ray Census of the Interacting Binaries in Old Open Clusters—Collinder 261

NASA Astrophysics Data System (ADS)

Vats, Smriti; van den Berg, Maureen

2017-03-01

We present the first X-ray study of Collinder 261 (Cr 261), which at an age of 7 Gyr is one of the oldest open clusters known in the Galaxy. Our observation with the Chandra X-Ray Observatory is aimed at uncovering the close interacting binaries in Cr 261, and reaches a limiting X-ray luminosity of {L}X≈ 4× {10}29 {erg} {{{s}}}-1 (0.3-7 keV) for stars in the cluster. We detect 107 sources within the cluster half-mass radius r h , and we estimate that among the sources with {L}X≳ {10}30 {erg} {{{s}}}-1, ˜26 are associated with the cluster. We identify a mix of active binaries and candidate active binaries, candidate cataclysmic variables, and stars that have “straggled” from the main locus of Cr 261 in the color-magnitude diagram. Based on a deep optical source catalog of the field, we estimate that Cr 261 has an approximate mass of 6500 M ⊙, roughly the same as the old open cluster NGC 6791. The X-ray emissivity of Cr 261 is similar to that of other old open clusters, supporting the trend that they are more luminous in X-rays per unit mass than old populations of higher (globular clusters) and lower (the local neighborhood) stellar density. This implies that the dynamical destruction of binaries in the densest environments is not solely responsible for the observed differences in X-ray emissivity.

NH4+-NH3 removal from simulated wastewater using UV-TiO2 photocatalysis: effect of co-pollutants and pH.

PubMed

Vohra, M S; Selimuzzaman, S M; Al-Suwaiyan, M S

2010-05-01

The main objective of the present study was to investigate the efficiency of titanium dioxide (TiO2) assisted photocatalytic degradation (PCD) process for the removal of ammonium-ammonia (NH4(+)-NH3) from the aqueous phase and in the presence of co-pollutants thiosulfate (S2O3(2-)) and p-cresol (C6H4CH3OH) under varying mixed conditions. For the NH4(+)-NH3 only PCD experiments, results showed higher NH4 -NH3 removal at pH 12 compared to pH 7 and 10. For the binary NH4(+)-NH3/S2O3(2-) studies the respective results indicated a significant lowering in NH4(+)-NH3 PCD in the presence of S2O32- at pH 7/12 whereas at pH 10 a marked increase in NH4(+)-NH3 removal transpired. A similar trend was noted for the p-cresol/NH4(+)-NH3 binary system. Comparing findings from the binary (NH4(+)-NH3/S2O3(2-) and p-cresol/NH4(+)-NH3) and tertiary (NH4(+)-NH3/S2O3(2-)/p-cresol) systems, at pH 10, showed fastest NH4(+)-NH3 removal transpiring for the tertiary system as compared to the binary systems, whereas both the binary systems indicated comparable NH4(+)-NH3 removal trends. The respective details have been discussed.

High-Pressure Transport Properties Of Fluids: Theory And Data From Levitated Drops At Combustion-Relevant Temperatures

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth; Ohsaka, Kenichi

2003-01-01

Although the high pressure multicomponent fluid conservation equations have already been derived and approximately validated for binary mixtures by this PI, the validation of the multicomponent theory is hampered by the lack of existing mixing rules for property calculations. Classical gas dynamics theory can provide property mixing-rules at low pressures exclusively. While thermal conductivity and viscosity high-pressure mixing rules have been documented in the literature, there is no such equivalent for the diffusion coefficients and the thermal diffusion factors. The primary goal of this investigation is to extend the low pressure mixing rule theory to high pressures and validate the new theory with experimental data from levitated single drops. The two properties that will be addressed are the diffusion coefficients and the thermal diffusion factors. To validate/determine the property calculations, ground-based experiments from levitated drops are being conducted.

Enhancement of the physical stability of amorphous indomethacin by mixing it with octaacetylmaltose. inter and intra molecular studies.

PubMed

Kaminska, E; Adrjanowicz, K; Zakowiecki, D; Milanowski, B; Tarnacka, M; Hawelek, L; Dulski, M; Pilch, J; Smolka, W; Kaczmarczyk-Sedlak, I; Kaminski, K

2014-10-01

To demonstrate a very effective and easy way of stabilization of amorphous indomethacin (IMC) by preparing binary mixtures with octaacetylmaltose (acMAL). In order to understand the origin of increased stability of amorphous system inter- and intramolecular interactions between IMC and acMAL were studied. The amorphous IMC, acMAL and binary mixtures (IMC-acMAL) with different weight ratios were analyzed by using Dielectric Spectroscopy (DS), Differential Scanning Calorimetry (DSC), Raman Spectroscopy, X-ray Diffraction (XRD), Infrared Spectroscopy (FTIR) and Quantitative Structure-Activity Relationship (QSAR). Our studies have revealed that indomethacin mixed with acetylated saccharide forms homogeneous mixture. Interestingly, even a small amount of modified maltose prevents from recrystallization of amorphous indomethacin. FTIR measurements and QSAR calculations have shown that octaacetylmaltose significantly affects the concentration of indomethacin dimers. Moreover, with increasing the amount of acMAL in the amorphous solid dispersion molecular interactions between matrix and API become more dominant than IMC-IMC ones. Structural investigations with the use of X-ray diffraction technique have demonstrated that binary mixture of indomethacin with acMAL does not recrystallize upon storage at room temperature for more than 1.5 year. Finally, it was shown that acMAL can be used to improve solubility of IMC. Acetylated derivative of maltose might be very effective agent to improve physical stability of amorphous indomethacin as well as to enhance its solubility. Intermolecular interactions between modified carbohydrate and IMC are likely to be responsible for increased stability effect in the glassy state.

Stability of binaries. Part 1: Rigid binaries

NASA Astrophysics Data System (ADS)

Sharma, Ishan

2015-09-01

We consider the stability of binary asteroids whose members are possibly granular aggregates held together by self-gravity alone. A binary is said to be stable whenever each member is orbitally and structurally stable to both orbital and structural perturbations. To this end, we extend the stability test for rotating granular aggregates introduced by Sharma (Sharma, I. [2012]. J. Fluid Mech., 708, 71-99; Sharma, I. [2013]. Icarus, 223, 367-382; Sharma, I. [2014]. Icarus, 229, 278-294) to the case of binary systems comprised of rubble members. In part I, we specialize to the case of a binary with rigid members subjected to full three-dimensional perturbations. Finally, we employ the stability test to critically appraise shape models of four suspected binary systems, viz., 216 Kleopatra, 25143 Itokawa, 624 Hektor and 90 Antiope.

Thermodynamic Parameters of the Dissolution of 4-Hydroxy-L-Proline and L-Phenylalanine in Mixed Aqueous Solvents at 298 K

NASA Astrophysics Data System (ADS)

Smirnov, V. I.; Badelin, V. G.

2018-01-01

The enthalpies of solution of 4-hydroxy-L-proline and L-phenylalanine in binary mixed aqueous solvents containing acetonitrile (AN), 1,4-dioxane (1,4-DO), or acetone (AC) at mole fractions of 0 to 0.25 are determined at T = 298.15 K via isothermal calorimetry. The standard enthalpies of solution (Δsol H°) and transfer (Δtr H°) of 4-hydroxy-L-proline and L-phenylalanine from water to mixed aqueous solvents are calculated using the experimental calorimetric data, as are the enthalpy coefficients of paired interactions ( h xy ) between the molecules of the investigated amino acids and the organic solvents. The effects the mixed aqueous solvent composition and the structure of the organic solvent molecules have on the enthalpies of solution and transfer for the investigated amino acids are considered. The correlation between the enthalpy of solution of the amino acids and the electron-donating properties of the organic solvents in the mixed aqueous solvent systems is established.

Comparison of the binary logistic and skewed logistic (Scobit) models of injury severity in motor vehicle collisions.

PubMed

Tay, Richard

2016-03-01

The binary logistic model has been extensively used to analyze traffic collision and injury data where the outcome of interest has two categories. However, the assumption of a symmetric distribution may not be a desirable property in some cases, especially when there is a significant imbalance in the two categories of outcome. This study compares the standard binary logistic model with the skewed logistic model in two cases in which the symmetry assumption is violated in one but not the other case. The differences in the estimates, and thus the marginal effects obtained, are significant when the assumption of symmetry is violated. Copyright © 2015 Elsevier Ltd. All rights reserved.

Estimation of the Viscosities of Liquid Sn-Based Binary Lead-Free Solder Alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Li, Jinquan

2018-01-01

The viscosity of a binary Sn-based lead-free solder alloy was calculated by combining the predicted model with the Miedema model. The viscosity factor was proposed and the relationship between the viscosity and surface tension was analyzed as well. The investigation result shows that the viscosity of Sn-based lead-free solders predicted from the predicted model shows excellent agreement with the reported values. The viscosity factor is determined by three physical parameters: atomic volume, electronic density, and electro-negativity. In addition, the apparent correlation between the surface tension and viscosity of the binary Sn-based Pb-free solder was obtained based on the predicted model.

Binary Lenses in OGLE-III EWS Database. Seasons 2002-2003

NASA Astrophysics Data System (ADS)

Jaroszynski, M.; Udalski, A.; Kubiak, M.; Szymanski, M.; Pietrzynski, G.; Soszynski, I.; Zebrun, K.; Szewczyk, O.; Wyrzykowski, L.

2004-06-01

We present 15 binary lens candidates from OGLE-III Early Warning System database for seasons 2002-2003. We also found 15 events interpreted as single mass lensing of double sources. The candidates were selected by visual light curves inspection. Examining the models of binary lenses of this and our previous study (10 caustic crossing events of OGLE-II seasons 1997--1999) we find one case of extreme mass ratio binary (q approx 0.005) and the rest in the range 0.1

Testing Ultracool Models with Precise Luminosities and Masses

NASA Astrophysics Data System (ADS)

Dupuy, Trent; Cushing, Michael; Liu, Michael; Burningham, Ben; Leggett, Sandy; Albert, Loic; Delorme, Philippe

2011-05-01

After years of patient orbital monitoring, there is a growing sample of brown dwarfs with well-determined dynamical masses, representing the gold standard for testing substellar models. A key element of our model tests to date has been the use of integrated-light photometry to provide accurate total luminosity measurements for these binaries. However, some of the ultracool binaries with the most promising orbit motion for yielding dynamical in the masses lack the mid-infrared photometry needed to constrain their SEDs. This is especially crucial for the latest type binaries (spectral types >T5) that will probe the coldest temperature regimes previously untested with dynamical masses. We propose to use IRAC to obtain the needed mid-infrared photometry for a sample of binaries that are part of our ongoing orbital monitoring program with Keck laser guide star adaptive optics. The observational effort needed to characterize these binaries' luminosities using Spitzer is much less daunting in than the years of orbital monitoring needed to measure precise dynamical masses, but it is equally vital for robust tests of theory.

Organometallic Routes into the Nanorealms of Binary Fe-Si Phases

PubMed Central

Kolel-Veetil, Manoj K.; Keller, Teddy M.

2010-01-01

The Fe-Si binary system provides several iron silicides that have varied and exceptional material properties with applications in the electronic industry. The well known Fe-Si binary silicides are Fe3Si, Fe5Si3, FeSi, α-FeSi2 and β-FeSi2. While the iron-rich silicides Fe3Si and Fe5Si3 are known to be room temperature ferromagnets, the stoichiometric FeSi is the only known transition metal Kondo insulator. Furthermore, Fe5Si3 has also been demonstrated to exhibit giant magnetoresistance (GMR). The silicon-rich β-FeSi2 is a direct band gap material usable in light emitting diode (LED) applications. Typically, these silicides are synthesized by traditional solid-state reactions or by ion beam-induced mixing (IBM) of alternating metal and silicon layers. Alternatively, the utilization of organometallic compounds with reactive transition metal (Fe)-carbon bonds has opened various routes for the preparation of these silicides and the silicon-stabilized bcc- and fcc-Fe phases contained in the Fe-Si binary phase diagram. The unique interfacial interactions of carbon with the Fe and Si components have resulted in the preferential formation of nanoscale versions of these materials. This review will discuss such reactions.

Einstein observations of selected close binaries and shell stars

NASA Technical Reports Server (NTRS)

Guinan, E. F.; Koch, R. H.; Plavec, M. J.

1984-01-01

Several evolved close binaries and shell stars were observed with the IPC aboard the HEAO 2 Einstein Observatory. No eclipsing target was detected, and only two of the shell binaries were detected. It is argued that there is no substantial difference in L(X) for eclipsing and non-eclipsing binaries. The close binary and shell star CX Dra was detected as a moderately strong source, and the best interpretation is that the X-ray flux arises primarily from the corona of the cool member of the binary at about the level of Algol-like or RS CVn-type sources. The residual visible-band light curve of this binary has been modeled so as to conform as well as possible with this interpretation. HD 51480 was detected as a weak source. Substantial background information from IUE and ground scanner measurements are given for this binary. The positions and flux values of several accidentally detected sources are given.

Mapping quantitative trait loci for binary trait in the F2:3 design.

PubMed

Zhu, Chengsong; Zhang, Yuan-Ming; Guo, Zhigang

2008-12-01

In the analysis of inheritance of quantitative traits with low heritability, an F(2:3) design that genotypes plants in F(2) and phenotypes plants in F(2:3) progeny is often used in plant genetics. Although statistical approaches for mapping quantitative trait loci (QTL) in the F(2:3) design have been well developed, those for binary traits of biological interest and economic importance are seldom addressed. In this study, an attempt was made to map binary trait loci (BTL) in the F(2:3) design. The fundamental idea was: the F(2) plants were genotyped, all phenotypic values of each F(2:3) progeny were measured for binary trait, and these binary trait values and the marker genotype informations were used to detect BTL under the penetrance and liability models. The proposed method was verified by a series of Monte-Carlo simulation experiments. These results showed that maximum likelihood approaches under the penetrance and liability models provide accurate estimates for the effects and the locations of BTL with high statistical power, even under of low heritability. Moreover, the penetrance model is as efficient as the liability model, and the F(2:3) design is more efficient than classical F(2) design, even though only a single progeny is collected from each F(2:3) family. With the maximum likelihood approaches under the penetrance and the liability models developed in this study, we can map binary traits as we can do for quantitative trait in the F(2:3) design.

Close binary evolution. II. Impact of tides, wind magnetic braking, and internal angular momentum transport

NASA Astrophysics Data System (ADS)

Song, H. F.; Meynet, G.; Maeder, A.; Ekström, S.; Eggenberger, P.; Georgy, C.; Qin, Y.; Fragos, T.; Soerensen, M.; Barblan, F.; Wade, G. A.

2018-01-01

Context. Massive stars with solar metallicity lose important amounts of rotational angular momentum through their winds. When a magnetic field is present at the surface of a star, efficient angular momentum losses can still be achieved even when the mass-loss rate is very modest, at lower metallicities, or for lower-initial-mass stars. In a close binary system, the effect of wind magnetic braking also interacts with the influence of tides, resulting in a complex evolution of rotation. Aims: We study the interactions between the process of wind magnetic braking and tides in close binary systems. Methods: We discuss the evolution of a 10 M⊙ star in a close binary system with a 7 M⊙ companion using the Geneva stellar evolution code. The initial orbital period is 1.2 days. The 10 M⊙ star has a surface magnetic field of 1 kG. Various initial rotations are considered. We use two different approaches for the internal angular momentum transport. In one of them, angular momentum is transported by shear and meridional currents. In the other, a strong internal magnetic field imposes nearly perfect solid-body rotation. The evolution of the primary is computed until the first mass-transfer episode occurs. The cases of different values for the magnetic fields and for various orbital periods and mass ratios are briefly discussed. Results: We show that, independently of the initial rotation rate of the primary and the efficiency of the internal angular momentum transport, the surface rotation of the primary will converge, in a time that is short with respect to the main-sequence lifetime, towards a slowly evolving velocity that is different from the synchronization velocity. This "equilibrium angular velocity" is always inferior to the angular orbital velocity. In a given close binary system at this equilibrium stage, the difference between the spin and the orbital angular velocities becomes larger when the mass losses and/or the surface magnetic field increase. The treatment of the internal angular momentum transport has a strong impact on the evolutionary tracks in the Hertzsprung-Russell Diagram as well as on the changes of the surface abundances resulting from rotational mixing. Our modelling suggests that the presence of an undetected close companion might explain rapidly rotating stars with strong surface magnetic fields, having ages well above the magnetic braking timescale. Our models predict that the rotation of most stars of this type increases as a function of time, except for a first initial phase in spin-down systems. The measure of their surface abundances, together, when possible, with their mass-luminosity ratio, provide interesting constraints on the transport efficiencies of angular momentum and chemical species. Conclusions: Close binaries, when studied at phases predating any mass transfer, are key objects to probe the physics of rotation and magnetic fields in stars.

Triply differential (e,2e) studies of phenol.

PubMed

da Silva, G B; Neves, R F C; Chiari, L; Jones, D B; Ali, E; Madison, D H; Ning, C G; Nixon, K L; Lopes, M C A; Brunger, M J

2014-09-28

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.

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

Silva, G. B. da; Universidade Federal de Mato Grosso, Barra do Garças, MT 78600-000; Neves, R. F. C.

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of −5°, −10°, and −15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peakmore » region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.« less

Triply differential (e,2e) studies of phenol

NASA Astrophysics Data System (ADS)

da Silva, G. B.; Neves, R. F. C.; Chiari, L.; Jones, D. B.; Ali, E.; Madison, D. H.; Ning, C. G.; Nixon, K. L.; Lopes, M. C. A.; Brunger, M. J.

2014-09-01

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak region. The experimental intensity of the recoil features under all kinematical conditions was relatively small, but was still largely underestimated by the theoretical calculations.