Sample records for realistic density dependent
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Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo
2018-01-18
The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.
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Mechanics of Carbon Nanotubes and their Polymer Composites
NASA Technical Reports Server (NTRS)
Wei, Chenyu; Cho, K. J.; Srivastava, Deepak; Tang, Harry (Technical Monitor)
2002-01-01
Contents include the folloving: carbon nanotube (CNT): structures, application of carbon nanotubes, simulation method, Elastic properties of carbon nanotubes, yield strain of CNT, yielding under tensile stress, yielding: strain-rate and temperature dependence, yield strain under tension, yielding at realistic conditions, nano fibers, polymer CNT composite, force field, density dependency on temperature, diffusion coefficients, young modulus, and conclusions.
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The time-dependent density matrix renormalisation group method
NASA Astrophysics Data System (ADS)
Ma, Haibo; Luo, Zhen; Yao, Yao
2018-04-01
Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.
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The viscosity to entropy ratio: From string theory motivated bounds to warm dense matter
Faussurier, G.; Libby, S. B.; Silvestrelli, P. L.
2014-07-04
Here, we study the ratio of viscosity to entropy density in Yukawa one-component plasmas as a function of coupling parameter at fixed screening, and in realistic warm dense matter models as a function of temperature at fixed density. In these two situations, the ratio is minimized for values of the coupling parameters that depend on screening, and for temperatures that in turn depend on density and material. In this context, we also examine Rosenfeld arguments relating transport coefficients to excess reduced entropy for Yukawa one-component plasmas. For these cases we show that this ratio is always above the lower-bound conjecturemore » derived from string theory ideas.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Patoul, Judith de; Foullon, Claire; Riley, Pete, E-mail: j.depatoul@exeter.ac.uk, E-mail: c.foullon@exeter.ac.uk, E-mail: rileype@saic.com
Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models aremore » more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.« less
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Can a grain size-dependent viscosity help yielding realistic seismic velocities of LLSVPs?
NASA Astrophysics Data System (ADS)
Schierjott, J.; Cheng, K. W.; Rozel, A.; Tackley, P. J.
2017-12-01
Seismic studies show two antipodal regions of low shear velocity at the core-mantle boundary (CMB), one beneath the Pacific and one beneath Africa. These regions, called Large Low Shear Velocity Provinces (LLSVPs), are thought to be thermally and chemically distinct and thus have a different density and viscosity. Whereas there is some general consensus about the density of the LLSVPs the viscosity is still a very debated topic. So far, in numerical studies the viscosity is treated as either depth- and/or temperature- dependent but the potential grain size- dependence of the viscosity is neglected most of the time. In this study we use a self-consistent convection model which includes a grain size- dependent rheology based on the approach by Rozel et al. (2011) and Rozel (2012). Further, we consider a primordial layer and a time-dependent basalt production at the surface to dynamically form the present-day chemical heterogeneities, similar to earlier studies, e.g by Nakagawa & Tackley (2014). With this model we perform a parameter study which includes different densities and viscosities of the imposed primordial layer. We detect possible thermochemical piles based on different criterions, compute their average effective viscosity, density, rheology and grain size and investigate which detecting criterion yields the most realistic results. Our preliminary results show that a higher density and/or viscosity of the piles is needed to keep them at the core-mantle boundary (CMB). Relatively to the ambient mantle grain size is high in the piles but due to the temperature at the CMB the viscosity is not remarkably different than the one of ordinary plumes. We observe that grain size is lower if the density of the LLSVP is lower than the one of our MORB material. In that case the average temperature of the LLSVP is also reduced. Interestingly, changing the reference viscosity is responsible for a change in the average viscosity of the LLSVP but not for a different average grain size. Finally, we compare the numerical results with seismological observations by computing 1D seismic velocity profiles (p-wave, shear-wave and bulk velocities) inside and outside our detected piles using thermodynamic data calculated from Perple_X .
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Kim, Tae K.; Pogorelov, Nikolai V.; Borovikov, Sergey N.; ...
2012-11-20
Numerical modeling of the heliosphere is a critical component of space weather forecasting. The accuracy of heliospheric models can be improved by using realistic boundary conditions and confirming the results with in situ spacecraft measurements. To accurately reproduce the solar wind (SW) plasma flow near Earth, we need realistic, time-dependent boundary conditions at a fixed distance from the Sun. We may prepare such boundary conditions using SW speed and density determined from interplanetary scintillation (IPS) observations, magnetic field derived from photospheric magnetograms, and temperature estimated from its correlation with SW speed. In conclusion, we present here the time-dependent MHD simulationmore » results obtained by using the 2011 IPS data from the Solar-Terrestrial Environment Laboratory as time-varying inner boundary conditions and compare the simulated data at Earth with OMNI data (spacecraft-interspersed, near-Earth solar wind data).« less
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Umbanhowar, James; Hastings, Alan
2002-11-01
Fluctuations in resource quality and quantity, and changes in mortality due to predators and parasites are thought to be of prime importance in the regular fluctuations of forest insects. We examine how food limitation and parasitoids with different phenologies of attack regulate the population cycles of insect hosts. Our analysis of the limit cycle of a model with a biologically realistic form of density dependence in the host yields two novel predictions. First, outbreaks will typically last for only 2 generations after parasitoids begin to reduce the host population below the maximum density. Second, host growth rate is important in determining cycle length only when parasitoids attack before the impacts of resource limitation affect the host. The robustness of these predictions are tested using a more general form of density dependence in the host, revealing that our predictions are valid as long as density dependence in the host is not too overcompensatory.
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NASA Astrophysics Data System (ADS)
Sandhu, J. K.; Yeoman, T. K.; James, M. K.; Rae, I. J.; Fear, R. C.
2018-01-01
The fundamental eigenfrequencies of standing Alfvén waves on closed geomagnetic field lines are estimated for the region spanning 5.9≤L < 9.5 over all MLT (Magnetic Local Time). The T96 magnetic field model and a realistic empirical plasma mass density model are employed using the time-of-flight approximation, refining previous calculations that assumed a relatively simplistic mass density model. An assessment of the implications of using different mass density models in the time-of-flight calculations is presented. The calculated frequencies exhibit dependences on field line footprint magnetic latitude and MLT, which are attributed to both magnetic field configuration and spatial variations in mass density. In order to assess the validity of the time-of-flight calculated frequencies, the estimates are compared to observations of FLR (Field Line Resonance) frequencies. Using IMAGE (International Monitor for Auroral Geomagnetic Effects) ground magnetometer observations obtained between 2001 and 2012, an automated FLR identification method is developed, based on the cross-phase technique. The average FLR frequency is determined, including variations with footprint latitude and MLT, and compared to the time-of-flight analysis. The results show agreement in the latitudinal and local time dependences. Furthermore, with the use of the realistic mass density model in the time-of-flight calculations, closer agreement with the observed FLR frequencies is obtained. The study is limited by the latitudinal coverage of the IMAGE magnetometer array, and future work will aim to extend the ground magnetometer data used to include additional magnetometer arrays.
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Critical Seismic Vector Random Excitations for Multiply Supported Structures
NASA Astrophysics Data System (ADS)
Sarkar, A.; Manohar, C. S.
1998-05-01
A method for determining critical power spectral density matrix models for earthquake excitations which maximize steady response variance of linear multiply supported extended structures and which also satisfy constraints on input variance, zero crossing rates, frequency content and transmission time lag has been developed. The optimization problem is shown to be non-linear in nature and solutions are obtained by using an iterative technique which is based on linear programming method. A constraint on entropy rate as a measure of uncertainty which can be expected in realistic earthquake ground motions is proposed which makes the critical excitations more realistic. Two special cases are also considered. Firstly, when knowledge of autospectral densities is available, the critical response is shown to be produced by fully coherent excitations which are neither in-phase nor out-of-phase. The critical phase between the excitation components depends on structural parameters, but independent of the auto-spectral densities of the excitations. Secondly, when the knowledge of autospectral densities and phase spectrum of the excitations is available, the critical response is shown to be produced by a system dependent coherence function representing neither fully coherent nor fully incoherent ground motions. The applications of these special cases are discussed in the context of land-based extended structures and secondary systems such as nuclear piping assembly. Illustrative examples on critical inputs and response of sdof and a long-span suspended cable which demonstrated the various features of the approach developed are presented.
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NASA Astrophysics Data System (ADS)
Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard
2014-03-01
Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.
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Spatial-size scaling of pedestrian groups under growing density conditions
NASA Astrophysics Data System (ADS)
Zanlungo, Francesco; Brščić, Dražen; Kanda, Takayuki
2015-06-01
We study the dependence on crowd density of the spatial size, configuration, and velocity of pedestrian social groups. We find that, in the investigated density range, the extension of pedestrian groups in the direction orthogonal to that of motion decreases linearly with the pedestrian density around them, both for two- and three-person groups. Furthermore, we observe that at all densities, three-person groups walk slower than two-person groups, and the latter are slower than individual pedestrians, the differences in velocities being weakly affected by density. Finally, we observe that three-person groups walk in a V-shaped formation regardless of density, with a distance between the pedestrians in the front and back again almost independent of density, although the configuration appears to be less stable at higher densities. These findings may facilitate the development of more realistic crowd dynamics models and simulators.
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Skyrme interaction to second order in nuclear matter
NASA Astrophysics Data System (ADS)
Kaiser, N.
2015-09-01
Based on the phenomenological Skyrme interaction various density-dependent nuclear matter quantities are calculated up to second order in many-body perturbation theory. The spin-orbit term as well as two tensor terms contribute at second order to the energy per particle. The simultaneous calculation of the isotropic Fermi-liquid parameters provides a rigorous check through the validity of the Landau relations. It is found that published results for these second order contributions are incorrect in most cases. In particular, interference terms between s-wave and p-wave components of the interaction can contribute only to (isospin or spin) asymmetry energies. Even with nine adjustable parameters, one does not obtain a good description of the empirical nuclear matter saturation curve in the low density region 0\\lt ρ \\lt 2{ρ }0. The reason for this feature is the too strong density-dependence {ρ }8/3 of several second-order contributions. The inclusion of the density-dependent term \\frac{1}{6}{t}3{ρ }1/6 is therefore indispensable for a realistic description of nuclear matter in the Skyrme framework.
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Time-Dependent Density Functional Theory for Open Systems and Its Applications.
Chen, Shuguang; Kwok, YanHo; Chen, GuanHua
2018-02-20
Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. As the reduced system density matrix is an O(M! × M!) matrix, where M is the number of the particles of the system of interest, quantum dissipation theory can only be employed to simulate systems of a few particles or degrees of freedom. It is thus important to combine quantum chemistry and quantum dissipation theory so that realistic open quantum systems can be simulated from first-principles. We have developed a first-principles method to simulate the dynamics of open electronic systems, the time-dependent density functional theory for open systems (TDDFT-OS). Instead of the reduced system density matrix, the key quantity is the reduced single-electron density matrix, which is an N × N matrix where N is the number of the atomic bases of the system of interest. As the dimension of the key quantity is drastically reduced, the TDDFT-OS can thus be used to simulate the dynamics of realistic open electronic systems and efficient numerical algorithms have been developed. As an application, we apply the method to study how quantum interference develops in a molecular transistor in time domain. We include electron-phonon interaction in our simulation and show that quantum interference in the given system is robust against nuclear vibration not only in the steady state but also in the transient dynamics. As another application, by combining TDDFT-OS with Ehrenfest dynamics, we study current-induced dissociation of water molecules under scanning tunneling microscopy and follow its time dependent dynamics. Given the rapid development in ultrafast experiments with atomic resolution in recent years, time dependent simulation of open electronic systems will be useful to gain insight and understanding of such experiments. This Account will mainly focus on the practical aspects of the TDDFT-OS method, describing the numerical implementation and demonstrating the method with applications.
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Predation and fragmentation portrayed in the statistical structure of prey time series
Hendrichsen, Ditte K; Topping, Chris J; Forchhammer, Mads C
2009-01-01
Background Statistical autoregressive analyses of direct and delayed density dependence are widespread in ecological research. The models suggest that changes in ecological factors affecting density dependence, like predation and landscape heterogeneity are directly portrayed in the first and second order autoregressive parameters, and the models are therefore used to decipher complex biological patterns. However, independent tests of model predictions are complicated by the inherent variability of natural populations, where differences in landscape structure, climate or species composition prevent controlled repeated analyses. To circumvent this problem, we applied second-order autoregressive time series analyses to data generated by a realistic agent-based computer model. The model simulated life history decisions of individual field voles under controlled variations in predator pressure and landscape fragmentation. Analyses were made on three levels: comparisons between predated and non-predated populations, between populations exposed to different types of predators and between populations experiencing different degrees of habitat fragmentation. Results The results are unambiguous: Changes in landscape fragmentation and the numerical response of predators are clearly portrayed in the statistical time series structure as predicted by the autoregressive model. Populations without predators displayed significantly stronger negative direct density dependence than did those exposed to predators, where direct density dependence was only moderately negative. The effects of predation versus no predation had an even stronger effect on the delayed density dependence of the simulated prey populations. In non-predated prey populations, the coefficients of delayed density dependence were distinctly positive, whereas they were negative in predated populations. Similarly, increasing the degree of fragmentation of optimal habitat available to the prey was accompanied with a shift in the delayed density dependence, from strongly negative to gradually becoming less negative. Conclusion We conclude that statistical second-order autoregressive time series analyses are capable of deciphering interactions within and across trophic levels and their effect on direct and delayed density dependence. PMID:19419539
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Okumura, Teppei; Seljak, Uroš; Desjacques, Vincent, E-mail: teppei@ewha.ac.kr, E-mail: useljak@berkeley.edu, E-mail: dvince@physik.uzh.ch
It was recently shown that the power spectrum in redshift space can be written as a sum of cross-power spectra between number weighted velocity moments, of which the lowest are density and momentum density. We investigate numerically the properties of these power spectra for simulated galaxies and dark matter halos and compare them to the dark matter power spectra, generalizing the concept of the bias in density-density power spectra. Because all of the quantities are number weighted this approach is well defined even for sparse systems such as massive halos. This contrasts to the previous approaches to RSD where velocitymore » correlations have been explored, but velocity field is a poorly defined concept for sparse systems. We find that the number density weighting leads to a strong scale dependence of the bias terms for momentum density auto-correlation and cross-correlation with density. This trend becomes more significant for the more biased halos and leads to an enhancement of RSD power relative to the linear theory. Fingers-of-god effects, which in this formalism come from the correlations of the higher order moments beyond the momentum density, lead to smoothing of the power spectrum and can reduce this enhancement of power from the scale dependent bias, but are relatively small for halos with no small scale velocity dispersion. In comparison, for a more realistic galaxy sample with satellites the small scale velocity dispersion generated by satellite motions inside the halos leads to a larger power suppression on small scales, but this depends on the satellite fraction and on the details of how the satellites are distributed inside the halo. We investigate several statistics such as the two-dimensional power spectrum P(k,μ), where μ is the angle between the Fourier mode and line of sight, its multipole moments, its powers of μ{sup 2}, and configuration space statistics. Overall we find that the nonlinear effects in realistic galaxy samples such as luminous red galaxies affect the redshift space clustering on very large scales: for example, the quadrupole moment is affected by 10% for k < 0.1hMpc{sup −1}, which means that these effects need to be understood if we want to extract cosmological information from the redshift space distortions.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Lü, X.; Schrottke, L.; Grahn, H. T.
We present scattering rates for electrons at longitudinal optical phonons within a model completely formulated in the Fourier domain. The total intersubband scattering rates are obtained by averaging over the intrasubband electron distributions. The rates consist of the Fourier components of the electron wave functions and a contribution depending only on the intersubband energies and the intrasubband carrier distributions. The energy-dependent part can be reproduced by a rational function, which allows for the separation of the scattering rates into a dipole-like contribution, an overlap-like contribution, and a contribution which can be neglected for low and intermediate carrier densities of themore » initial subband. For a balance between accuracy and computation time, the number of Fourier components can be adjusted. This approach facilitates an efficient design of complex heterostructures with realistic, temperature- and carrier density-dependent rates.« less
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Ecologically relevant levels of multiple, common marine stressors suggest antagonistic effects.
Lange, Rolanda; Marshall, Dustin
2017-07-24
Stressors associated with global change will be experienced simultaneously and may act synergistically, so attempts to estimate the capacity of marine systems to cope with global change requires a multi-stressor approach. Because recent evidence suggests that stressor effects can be context-dependent, estimates of how stressors are experienced in ecologically realistic settings will be particularly valuable. To enhance our understanding of the interplay between environmental effects and the impact of multiple stressors from both natural and anthropogenic sources, we conducted a field experiment. We explored the impact of multiple, functionally varied stressors from both natural and anthropogenic sources experienced during early life history in a common sessile marine invertebrate, Bugula neritina. Natural spatial environmental variation induced differences in conspecific densities, allowing us to test for density-driven context-dependence of stressor effects. We indeed found density-dependent effects. Under high conspecific density, individual survival increased, which offset part of the negative effects of experiencing stressors. Experiencing multiple stressors early in life history translated to a decreased survival in the field, albeit the effects were not as drastic as we expected: our results are congruent with antagonistic stressor effects. We speculate that when individual stressors are more subtle, stressor synergies become less common.
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Hierarchy of forward-backward stochastic Schrödinger equation
NASA Astrophysics Data System (ADS)
Ke, Yaling; Zhao, Yi
2016-07-01
Driven by the impetus to simulate quantum dynamics in photosynthetic complexes or even larger molecular aggregates, we have established a hierarchy of forward-backward stochastic Schrödinger equation in the light of stochastic unravelling of the symmetric part of the influence functional in the path-integral formalism of reduced density operator. The method is numerically exact and is suited for Debye-Drude spectral density, Ohmic spectral density with an algebraic or exponential cutoff, as well as discrete vibrational modes. The power of this method is verified by performing the calculations of time-dependent population differences in the valuable spin-boson model from zero to high temperatures. By simulating excitation energy transfer dynamics of the realistic full FMO trimer, some important features are revealed.
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A new numerical benchmark of a freshwater lens
NASA Astrophysics Data System (ADS)
Stoeckl, L.; Walther, M.; Graf, T.
2016-04-01
A numerical benchmark for 2-D variable-density flow and solute transport in a freshwater lens is presented. The benchmark is based on results of laboratory experiments conducted by Stoeckl and Houben (2012) using a sand tank on the meter scale. This benchmark describes the formation and degradation of a freshwater lens over time as it can be found under real-world islands. An error analysis gave the appropriate spatial and temporal discretization of 1 mm and 8.64 s, respectively. The calibrated parameter set was obtained using the parameter estimation tool PEST. Comparing density-coupled and density-uncoupled results showed that the freshwater-saltwater interface position is strongly dependent on density differences. A benchmark that adequately represents saltwater intrusion and that includes realistic features of coastal aquifers or freshwater lenses was lacking. This new benchmark was thus developed and is demonstrated to be suitable to test variable-density groundwater models applied to saltwater intrusion investigations.
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Modeling ecological traps for the control of feral pigs
Dexter, Nick; McLeod, Steven R
2015-01-01
Ecological traps are habitat sinks that are preferred by dispersing animals but have higher mortality or reduced fecundity compared to source habitats. Theory suggests that if mortality rates are sufficiently high, then ecological traps can result in extinction. An ecological trap may be created when pest animals are controlled in one area, but not in another area of equal habitat quality, and when there is density-dependent immigration from the high-density uncontrolled area to the low-density controlled area. We used a logistic population model to explore how varying the proportion of habitat controlled, control mortality rate, and strength of density-dependent immigration for feral pigs could affect the long-term population abundance and time to extinction. Increasing control mortality, the proportion of habitat controlled and the strength of density-dependent immigration decreased abundance both within and outside the area controlled. At higher levels of these parameters, extinction was achieved for feral pigs. We extended the analysis with a more complex stochastic, interactive model of feral pig dynamics in the Australian rangelands to examine how the same variables as the logistic model affected long-term abundance in the controlled and uncontrolled area and time to extinction. Compared to the logistic model of feral pig dynamics, the stochastic interactive model predicted lower abundances and extinction at lower control mortalities and proportions of habitat controlled. To improve the realism of the stochastic interactive model, we substituted fixed mortality rates with a density-dependent control mortality function, empirically derived from helicopter shooting exercises in Australia. Compared to the stochastic interactive model with fixed mortality rates, the model with the density-dependent control mortality function did not predict as substantial decline in abundance in controlled or uncontrolled areas or extinction for any combination of variables. These models demonstrate that pest eradication is theoretically possible without the pest being controlled throughout its range because of density-dependent immigration into the area controlled. The stronger the density-dependent immigration, the better the overall control in controlled and uncontrolled habitat combined. However, the stronger the density-dependent immigration, the poorer the control in the area controlled. For feral pigs, incorporating environmental stochasticity improves the prospects for eradication, but adding a realistic density-dependent control function eliminates these prospects. PMID:26045954
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Ravigné, Virginie; Lemesle, Valérie; Walter, Alicia; Mailleret, Ludovic; Hamelin, Frédéric M
2017-03-01
Fungal plant parasites represent a growing concern for biodiversity and food security. Most ascomycete species are capable of producing different types of infectious spores both asexually and sexually. Yet the contributions of both types of spores to epidemiological dynamics have still to been fully researched. Here we studied the effect of mate limitation in parasites which perform both sexual and asexual reproduction in the same host. Since mate limitation implies positive density dependence at low population density, we modeled the dynamics of such species with both density-dependent (sexual) and density-independent (asexual) transmission rates. A first simple SIR model incorporating these two types of transmission from the infected compartment, suggested that combining sexual and asexual spore production can generate persistently cyclic epidemics in a significant part of the parameter space. It was then confirmed that cyclic persistence could occur in realistic situations by parameterizing a more detailed model fitting the biology of the Black Sigatoka disease of banana, for which literature data are available. We discuss the implications of these results for research on and management of Sigatoka diseases of banana.
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NASA Technical Reports Server (NTRS)
Nouri, Nima; Panerai, Francesco; Tagavi, Kaveh A.; Mansour, Nagi N.; Martin, Alexandre
2015-01-01
The radiative heat transfer inside a low-density carbon fiber insulator is analyzed using a three-dimensional direct simulation model. A robust procedure is presented for the numerical calculation of the geometric configuration factor to compute the radiative energy exchange processes among the small discretized surface areas of the fibrous material. The methodology is applied to a polygonal mesh of a fibrous insulator obtained from three-dimensional microscale imaging of the real material. The anisotropic values of the radiative conductivity are calculated for that geometry. The results yield both directional and thermal dependence of the radiative conductivity.
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Excitation and doping dependence of hole-spin relaxation in bulk GaAs
NASA Astrophysics Data System (ADS)
Krauss, Michael; Hilton, David; Schneider, Hans Christian
2009-03-01
We present theoretical and experimental results on ultrafast hole-spin dynamics in bulk GaAs. By combining a sufficiently realistic bandstructure at the level of an 8x8 k .p theory and a dynamical treatment of the relevant scattering mechanisms [1], we obtain quantitative agreement between the microscopic theoretical results and differential transmission measurements [2] for different excitation conditions. In particular, we examine the dependence of the hole-spin relaxation time on the optically excited carrier density, lattice temperature, and doping concentration. Although the spin relaxation is rather insensitive to changes in the optically excited density and temperature, strong p-doping causes a significantly faster relaxation. [1] M. Krauss, M. Aeschlimann, and H. C. Schneider, Phys.Rev.Lett. 100, 256601 (2008)[2] D. J. Hilton and C. L. Tang, Phys. Rev. Lett. 89, 146601 (2002)
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Atomistic and molecular effects in electric double layers at high surface charges
Templeton, Jeremy Alan; Lee, Jonathan; Mani, Ali
2015-06-16
Here, the Poisson–Boltzmann theory for electrolytes near a charged surface is known to be invalid due to unaccounted physics associated with high ion concentration regimes. In order to investigate this regime, fluids density functional theory (f-DFT) and molecular dynamics (MD) simulations were used to determine electric surface potential as a function of surface charge. Based on these detailed computations, for electrolytes with nonpolar solvent, the surface potential is shown to depend quadratically on the surface charge in the high charge limit. We demonstrate that modified Poisson–Boltzmann theories can model this limit if they are augmented with atomic packing densities providedmore » by MD. However, when the solvent is a highly polar molecule water an intermediate regime is identified in which a constant capacitance is realized. Simulation results demonstrate the mechanism underlying this regime, and for the salt water system studied here, it persists throughout the range of physically realistic surface charge densities so the potential’s quadratic surface charge dependence is not obtained.« less
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NASA Astrophysics Data System (ADS)
Furusawa, S.; Togashi, H.; Nagakura, H.; Sumiyoshi, K.; Yamada, S.; Suzuki, H.; Takano, M.
2017-09-01
We have constructed a nuclear equation of state (EOS) that includes a full nuclear ensemble for use in core-collapse supernova simulations. It is based on the EOS for uniform nuclear matter that two of the authors derived recently, applying a variational method to realistic two- and three-body nuclear forces. We have extended the liquid drop model of heavy nuclei, utilizing the mass formula that accounts for the dependences of bulk, surface, Coulomb and shell energies on density and/or temperature. As for light nuclei, we employ a quantum-theoretical mass evaluation, which incorporates the Pauli- and self-energy shifts. In addition to realistic nuclear forces, the inclusion of in-medium effects on the full ensemble of nuclei makes the new EOS one of the most realistic EOSs, which covers a wide range of density, temperature and proton fraction that supernova simulations normally encounter. We make comparisons with the FYSS EOS, which is based on the same formulation for the nuclear ensemble but adopts the relativistic mean field theory with the TM1 parameter set for uniform nuclear matter. The new EOS is softer than the FYSS EOS around and above nuclear saturation densities. We find that neutron-rich nuclei with small mass numbers are more abundant in the new EOS than in the FYSS EOS because of the larger saturation densities and smaller symmetry energy of nuclei in the former. We apply the two EOSs to 1D supernova simulations and find that the new EOS gives lower electron fractions and higher temperatures in the collapse phase owing to the smaller symmetry energy. As a result, the inner core has smaller masses for the new EOS. It is more compact, on the other hand, due to the softness of the new EOS and bounces at higher densities. It turns out that the shock wave generated by core bounce is a bit stronger initially in the simulation with the new EOS. The ensuing outward propagations of the shock wave in the outer core are very similar in the two simulations, which may be an artifact, though, caused by the use of the same tabulated electron capture rates for heavy nuclei ignoring differences in the nuclear composition between the two EOSs in these computations.
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NASA Astrophysics Data System (ADS)
Ismail, M.; Seif, W. M.; Botros, M. M.
2016-04-01
We investigate the fusion cross-section and the fusion barrier distribution of 16O +238U at near- and sub-barrier energies. We use an interaction potential generated by the semi-microscopic double folding model-based on density dependent (DD) form of the realistic Michigan-three-Yukawa (M3Y) Reid nucleon-nucleon (NN) interaction. We studied the role of both the static and dynamic deformations of the target nucleus on the fusion process. Rotational and vibrational degrees of freedom of 238U-nucleus are considered. We found that the deformation and the octupole vibrations in 238U enhance its sub-barrier fusion cross-section. The signature of the the octupole vibrational modes of 238U appears clearly in its fusion barrier distribution profile.
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Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan
2015-12-08
Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a powerful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with conventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We consider seven low- and high-spin model complexes involving chromium, manganese, and iron transition metal centers. Our results are in good agreement with experiment.
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NASA Technical Reports Server (NTRS)
Xu, Yueming; Sutherland, Peter; Mccray, Richard; Ross, Randy R.
1988-01-01
Detailed calculations of the development of the X-ray spectrum of 1987A are presented using more realistic models for the supernova composition and density structure provided by Woosley. It is shown how the emergence of the X-ray spectrum depends on the parameters of the model and the nature of its central energy source. It is shown that the soft X-ray spectrum should be dominated by a 6.4 keV Fe K(alpha) emission line that could be observed by a sensitive X-ray telescope.
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Kinetic Monte Carlo simulations of excitation density dependent scintillation in CsI and CsI(Tl)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Zhiguo; Williams, Richard; Grim, Joel
2013-08-15
Nonlinear quenching of electron-hole pairs in the denser regions of ionization tracks created by γ-ray and high-energy electrons is a likely cause of the light yield nonproportionality of many inorganic scintillators. Therefore, kinetic Monte Carlo (KMC) simulations were carried out to investigate the scintillation properties of pure and thallium-doped CsI as a function of electron-hole pair density. The availability of recent experimental data on the excitation density dependence of the light yield of CsI following ultraviolet excitation allowed for an improved parameterization of the interactions between self-trapped excitons (STE) in the KMC model via dipole-dipole Förster transfer. The KMC simulationsmore » reveal that nonlinear quenching occurs very rapidly (within a few picoseconds) in the early stages of the scintillation process. In addition, the simulations predict that the concentration of thallium activators can affect the extent of nonlinear quenching as it has a direct influence on the STE density through STE dissociation and electron scavenging. This improved model will enable more realistic simulations of the nonproportional γ-ray and electron response of inorganic scintillators.« less
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Revealing electronic open quantum systems with subsystem TDDFT
DOE Office of Scientific and Technical Information (OSTI.GOV)
Krishtal, Alisa, E-mail: alisa.krishtal@rutgers.edu; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu
2016-03-28
Open quantum systems (OQSs) are perhaps the most realistic systems one can approach through simulations. In recent years, describing OQSs with Density Functional Theory (DFT) has been a prominent avenue of research with most approaches based on a density matrix partitioning in conjunction with an ad-hoc description of system-bath interactions. We propose a different theoretical approach to OQSs based on partitioning of the electron density. Employing the machinery of subsystem DFT (and its time-dependent extension), we provide a novel way of isolating and analyzing the various terms contributing to the coupling between the system and the surrounding bath. To illustratemore » the theory, we provide numerical simulations on a toy system (a molecular dimer) and on a condensed phase system (solvated excimer). The simulations show that non-Markovian dynamics in the electronic system-bath interactions are important in chemical applications. For instance, we show that the superexchange mechanism of transport in donor-bridge-acceptor systems is a non-Markovian interaction between the donor-acceptor (OQS) with the bridge (bath) which is fully characterized by real-time subsystem time-dependent DFT.« less
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Revealing electronic open quantum systems with subsystem TDDFT.
Krishtal, Alisa; Pavanello, Michele
2016-03-28
Open quantum systems (OQSs) are perhaps the most realistic systems one can approach through simulations. In recent years, describing OQSs with Density Functional Theory (DFT) has been a prominent avenue of research with most approaches based on a density matrix partitioning in conjunction with an ad-hoc description of system-bath interactions. We propose a different theoretical approach to OQSs based on partitioning of the electron density. Employing the machinery of subsystem DFT (and its time-dependent extension), we provide a novel way of isolating and analyzing the various terms contributing to the coupling between the system and the surrounding bath. To illustrate the theory, we provide numerical simulations on a toy system (a molecular dimer) and on a condensed phase system (solvated excimer). The simulations show that non-Markovian dynamics in the electronic system-bath interactions are important in chemical applications. For instance, we show that the superexchange mechanism of transport in donor-bridge-acceptor systems is a non-Markovian interaction between the donor-acceptor (OQS) with the bridge (bath) which is fully characterized by real-time subsystem time-dependent DFT.
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Revealing electronic open quantum systems with subsystem TDDFT
NASA Astrophysics Data System (ADS)
Krishtal, Alisa; Pavanello, Michele
2016-03-01
Open quantum systems (OQSs) are perhaps the most realistic systems one can approach through simulations. In recent years, describing OQSs with Density Functional Theory (DFT) has been a prominent avenue of research with most approaches based on a density matrix partitioning in conjunction with an ad-hoc description of system-bath interactions. We propose a different theoretical approach to OQSs based on partitioning of the electron density. Employing the machinery of subsystem DFT (and its time-dependent extension), we provide a novel way of isolating and analyzing the various terms contributing to the coupling between the system and the surrounding bath. To illustrate the theory, we provide numerical simulations on a toy system (a molecular dimer) and on a condensed phase system (solvated excimer). The simulations show that non-Markovian dynamics in the electronic system-bath interactions are important in chemical applications. For instance, we show that the superexchange mechanism of transport in donor-bridge-acceptor systems is a non-Markovian interaction between the donor-acceptor (OQS) with the bridge (bath) which is fully characterized by real-time subsystem time-dependent DFT.
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A statistical approach to quasi-extinction forecasting.
Holmes, Elizabeth Eli; Sabo, John L; Viscido, Steven Vincent; Fagan, William Fredric
2007-12-01
Forecasting population decline to a certain critical threshold (the quasi-extinction risk) is one of the central objectives of population viability analysis (PVA), and such predictions figure prominently in the decisions of major conservation organizations. In this paper, we argue that accurate forecasting of a population's quasi-extinction risk does not necessarily require knowledge of the underlying biological mechanisms. Because of the stochastic and multiplicative nature of population growth, the ensemble behaviour of population trajectories converges to common statistical forms across a wide variety of stochastic population processes. This paper provides a theoretical basis for this argument. We show that the quasi-extinction surfaces of a variety of complex stochastic population processes (including age-structured, density-dependent and spatially structured populations) can be modelled by a simple stochastic approximation: the stochastic exponential growth process overlaid with Gaussian errors. Using simulated and real data, we show that this model can be estimated with 20-30 years of data and can provide relatively unbiased quasi-extinction risk with confidence intervals considerably smaller than (0,1). This was found to be true even for simulated data derived from some of the noisiest population processes (density-dependent feedback, species interactions and strong age-structure cycling). A key advantage of statistical models is that their parameters and the uncertainty of those parameters can be estimated from time series data using standard statistical methods. In contrast for most species of conservation concern, biologically realistic models must often be specified rather than estimated because of the limited data available for all the various parameters. Biologically realistic models will always have a prominent place in PVA for evaluating specific management options which affect a single segment of a population, a single demographic rate, or different geographic areas. However, for forecasting quasi-extinction risk, statistical models that are based on the convergent statistical properties of population processes offer many advantages over biologically realistic models.
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Plasmonic response in nanoporous metal: dependence on network topology
NASA Astrophysics Data System (ADS)
Galí, Marc A.; Tai, Matthew C.; Arnold, Matthew D.; Cortie, Michael B.; Gentle, Angus R.; Smith, Geoffrey B.
2015-12-01
The optical and electrical responses of open, nanoscale, metal networks are of interest in a variety of technologies including transparent conducting electrodes, charge storage, and surfaces with controlled spectral selectivity. The properties of such nanoporous structures depend on the shape and extent of individual voids and the associated hyper-dimensional connectivity and density of the metal filaments. Unfortunately, a quantitative understanding of this dependence is at present only poorly developed. Here we address this problem using numerical simulations applied to a systematically designed series of prototypical sponges. The sponges are produced by a Monte Carlo simulation of the dealloying of Ag-Al alloys containing from 60% to 85% Al. The result is a series of Ag sponges of realistic morphology. The optical properties of the sponges are then calculated by the discrete dipole approximation and the results used to construct an 'effective medium' model for each sponge. We show how the resulting effective medium can be correlated with the associated morphological characteristics of each target and how the optical properties are primarily controlled by the density of the sponge and its state of percolation.
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Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors.
Muralidharan, Ajay; Pratt, Lawrence R; Hoffman, Gary G; Chaudhari, Mangesh I; Rempe, Susan B
2018-06-22
Electrochemical double-layer capacitances of charged carbon nanotube (CNT) forests with tetraethyl ammonium tetrafluoro borate electrolyte in propylene carbonate are studied on the basis of molecular dynamics simulation. Direct molecular simulation of the filling of pore spaces of the forest is feasible even with realistic, small CNT spacings. The numerical solution of the Poisson equation based on the extracted average charge densities then yields a regular experimental dependence on the width of the pore spaces, in contrast to the anomalous pattern observed in experiments on other carbon materials and also in simulations on planar slot-like pores. The capacitances obtained have realistic magnitudes but are insensitive to electric potential differences between the electrodes in this model. This agrees with previous calculations on CNT forest supercapacitors, but not with experiments which have suggested electrochemical doping for these systems. Those phenomena remain for further theory/modeling work. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Hydrostatic Equilibria of Rotating Stars with Realistic Equation of State
NASA Astrophysics Data System (ADS)
Yasutake, Nobutoshi; Fujisawa, Kotaro; Okawa, Hirotada; Yamada, Shoichi
Stars rotate generally, but it is a non-trivial issue to obtain hydrostatic equilibria for rapidly rotating stars theoretically, especially for baroclinic cases, in which the pressure depends not only on the density, but also on the temperature and compositions. It is clear that the stellar structures with realistic equation of state are the baroclinic cases, but there are not so many studies for such equilibria. In this study, we propose two methods to obtain hydrostatic equilibria considering rotation and baroclinicity, namely the weak-solution method and the strong-solution method. The former method is based on the variational principle, which is also applied to the calculation of the inhomogeneous phases, known as the pasta structures, in crust of neutron stars. We found this method might break the balance equation locally, then introduce the strong-solution method. Note that our method is formulated in the mass coordinate, and it is hence appropriated for the stellar evolution calculations.
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NASA Astrophysics Data System (ADS)
Wiesen, S.; Köchl, F.; Belo, P.; Kotov, V.; Loarte, A.; Parail, V.; Corrigan, G.; Garzotti, L.; Harting, D.
2017-07-01
The integrated model JINTRAC is employed to assess the dynamic density evolution of the ITER baseline scenario when fuelled by discrete pellets. The consequences on the core confinement properties, α-particle heating due to fusion and the effect on the ITER divertor operation, taking into account the material limitations on the target heat loads, are discussed within the integrated model. Using the model one can observe that stable but cyclical operational regimes can be achieved for a pellet-fuelled ITER ELMy H-mode scenario with Q = 10 maintaining partially detached conditions in the divertor. It is shown that the level of divertor detachment is inversely correlated with the core plasma density due to α-particle heating, and thus depends on the density evolution cycle imposed by pellet ablations. The power crossing the separatrix to be dissipated depends on the enhancement of the transport in the pedestal region being linked with the pressure gradient evolution after pellet injection. The fuelling efficacy of the deposited pellet material is strongly dependent on the E × B plasmoid drift. It is concluded that integrated models like JINTRAC, if validated and supported by realistic physics constraints, may help to establish suitable control schemes of particle and power exhaust in burning ITER DT-plasma scenarios.
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Chan, K; Boutin, S; Hossie, T J; Krebs, C J; O'Donoghue, M; Murray, D L
2017-07-01
To improve understanding of the complex and variable patterns of predator foraging behavior in natural systems, it is critical to determine how density-dependent predation and predator hunting success are mediated by alternate prey or predator interference. Despite considerable theory and debate seeking to place predator-prey interactions in a more realistic context, few empirical studies have quantified the role of alternate prey or intraspecific interactions on predator-prey dynamics. We assessed functional responses of two similarly sized, sympatric carnivores, lynx (Lynx canadensis) and coyotes (Canis latrans), foraging on common primary (snowshoe hares; Lepus americanus) and alternate (red squirrels; Tamiasciurus hudsonicus) prey in a natural system. Lynx exhibited a hyperbolic prey-dependent response to changes in hare density, which is characteristic of predators relying primarily on a single prey species. In contrast, the lynx-squirrel response was found to be linear ratio dependent, or inversely dependent on hare density. The coyote-hare and coyote-squirrel interactions also were linear and influenced by predator density. We explain these novel results by apparent use of spatial and temporal refuges by prey, and the likelihood that predators commonly experience interference and lack of satiation when foraging. Our study provides empirical support from a natural predator-prey system that (1) predation rate may not be limited at high prey densities when prey are small or rarely captured; (2) interference competition may influence the predator functional response; and (3) predator interference has a variable role across different prey types. Ultimately, distinct functional responses of predators to different prey types illustrates the complexity associated with predator-prey interactions in natural systems and highlights the need to investigate predator behavior and predation rate in relation to the broader ecological community. © 2017 by the Ecological Society of America.
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Dimitrov, I. K.; Zhang, X.; Solovyov, V. F.; ...
2015-07-07
Recent advances in second-generation (YBCO) high-temperature superconducting wire could potentially enable the design of super high performance energy storage devices that combine the high energy density of chemical storage with the high power of superconducting magnetic storage. However, the high aspect ratio and the considerable filament size of these wires require the concomitant development of dedicated optimization methods that account for the critical current density in type-II superconductors. In this study, we report on the novel application and results of a CPU-efficient semianalytical computer code based on the Radia 3-D magnetostatics software package. Our algorithm is used to simulate andmore » optimize the energy density of a superconducting magnetic energy storage device model, based on design constraints, such as overall size and number of coils. The rapid performance of the code is pivoted on analytical calculations of the magnetic field based on an efficient implementation of the Biot-Savart law for a large variety of 3-D “base” geometries in the Radia package. The significantly reduced CPU time and simple data input in conjunction with the consideration of realistic input variables, such as material-specific, temperature, and magnetic-field-dependent critical current densities, have enabled the Radia-based algorithm to outperform finite-element approaches in CPU time at the same accuracy levels. Comparative simulations of MgB 2 and YBCO-based devices are performed at 4.2 K, in order to ascertain the realistic efficiency of the design configurations.« less
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Pair Potential That Reproduces the Shape of Isochrones in Molecular Liquids.
Veldhorst, Arno A; Schrøder, Thomas B; Dyre, Jeppe C
2016-08-18
Many liquids have curves (isomorphs) in their phase diagrams along which structure, dynamics, and some thermodynamic quantities are invariant in reduced units. A substantial part of their phase diagrams is thus effectively one dimensional. The shapes of these isomorphs are described by a material-dependent function of density, h(ρ), which for real liquids is well approximated by a power law, ρ(γ). However, in simulations, a power law is not adequate when density changes are large; typical models, such as Lennard-Jones liquids, show that γ(ρ) ≡ d ln h(ρ)/d ln ρ is a decreasing function of density. This article presents results from computer simulations using a new pair potential that diverges at a nonzero distance and can be tuned to give a more realistic shape of γ(ρ). Our results indicate that the finite size of molecules is an important factor to take into account when modeling liquids over a large density range.
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NASA Technical Reports Server (NTRS)
Von Roos, O.
1979-01-01
By means of an exactly soluble model the short circuit current generated by a scanning electron microscope in a P-N junction has been determined in cases where the trap density is inhomogeneous. The diffusion length for minority carriers becomes then dependent on the spacial coordinates. It is shown that in this case the dependence of the Isc on characteristic parameters as cell thickness, distance of the beam excitation spot from ohmic contacts, etc., becomes very intricate. This fact precludes the determination of the local diffusion length in the usual manner. Although the model is somewhat simplified in order to make it amenable to exact solutions, it is nevertheless realistic enough to lead to the conclusion that SEM measurements of bulk transport parameters in inhomogeneous semiconductor material are impractical since they may lead to serious errors in the interpretation of the data by customary means.
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NASA Astrophysics Data System (ADS)
Fee, David; Izbekov, Pavel; Kim, Keehoon; Yokoo, Akihiko; Lopez, Taryn; Prata, Fred; Kazahaya, Ryunosuke; Nakamichi, Haruhisa; Iguchi, Masato
2017-12-01
Eruption mass and mass flow rate are critical parameters for determining the aerial extent and hazard of volcanic emissions. Infrasound waveform inversion is a promising technique to quantify volcanic emissions. Although topography may substantially alter the infrasound waveform as it propagates, advances in wave propagation modeling and station coverage permit robust inversion of infrasound data from volcanic explosions. The inversion can estimate eruption mass flow rate and total eruption mass if the flow density is known. However, infrasound-based eruption flow rates and mass estimates have yet to be validated against independent measurements, and numerical modeling has only recently been applied to the inversion technique. Here we present a robust full-waveform acoustic inversion method, and use it to calculate eruption flow rates and masses from 49 explosions from Sakurajima Volcano, Japan. Six infrasound stations deployed from 12-20 February 2015 recorded the explosions. We compute numerical Green's functions using 3-D Finite Difference Time Domain modeling and a high-resolution digital elevation model. The inversion, assuming a simple acoustic monopole source, provides realistic eruption masses and excellent fit to the data for the majority of the explosions. The inversion results are compared to independent eruption masses derived from ground-based ash collection and volcanic gas measurements. Assuming realistic flow densities, our infrasound-derived eruption masses for ash-rich eruptions compare favorably to the ground-based estimates, with agreement ranging from within a factor of two to one order of magnitude. Uncertainties in the time-dependent flow density and acoustic propagation likely contribute to the mismatch between the methods. Our results suggest that realistic and accurate infrasound-based eruption mass and mass flow rate estimates can be computed using the method employed here. If accurate volcanic flow parameters are known, application of this technique could be broadly applied to enable near real-time calculation of eruption mass flow rates and total masses. These critical input parameters for volcanic eruption modeling and monitoring are not currently available.
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A conformally flat realistic anisotropic model for a compact star
NASA Astrophysics Data System (ADS)
Ivanov, B. V.
2018-04-01
A physically realistic stellar model with a simple expression for the energy density and conformally flat interior is found. The relations between the different conditions are used without graphic proofs. It may represent a real pulsar.
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A two-dimensional MHD global coronal model - Steady-state streamers
NASA Technical Reports Server (NTRS)
Wang, A.-H.; Wu, S. T.; Suess, S. T.; Poletto, G.
1992-01-01
A 2D, time-dependent, numerical, MHD model for the simulation of coronal streamers from the solar surface to 15 solar is presented. Three examples are given; for dipole, quadrupole and hexapole (Legendre polynomials P1, P2, and P3) initial field topologies. The computed properties are density, temperature, velocity, and magnetic field. The calculation is set up as an initial-boundary value problem wherein a relaxation in time produces the steady state solution. In addition to the properties of the solutions, their accuracy is discussed. Besides solutions for dipole, quadrupole, and hexapole geometries, the model use of realistic values for the density and Alfven speed while still meeting the requirement that the flow speed be super-Alfvenic at the outer boundary by extending the outer boundary to 15 solar radii.
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On the temperature-dependent exchange splitting in the quasiparticle bandstructure of Ni
NASA Astrophysics Data System (ADS)
Borgiel, W.; Nolting, W.; Donath, M.
1989-11-01
A theoretical model for the bandferromagnet Ni is proposed, which takes into account the intraatomic electron interactions within the d band complex. After introducing effective spin operators the model-Hamiltonian consists of a one-particle part, an intraband interaction of Hubbard-type, and an interband exchange, formally describing electron magnon scattering (s-f model). The one particle energies are taken from a realistic bandstructure calculation for paramagnetic Ni. We use a many body procedure for a detailed inspection of the quasiparticle bandstructure in KX and XW directions, present the corresponding spectral densities, and compare the temperature dependent exchange splittings near the X and W point with recent results from spin resolved photoemission (PE) - and inverse photoemission (IPE) - experiments.
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Oraby, Tamer; Vasilyeva, Olga; Krewski, Daniel; Lutscher, Frithjof
2014-01-07
Behavior and habitat of wildlife animals change seasonally according to environmental conditions. Mathematical models need to represent this seasonality to be able to make realistic predictions about the future of a population and the effectiveness of human interventions. Managing and modeling disease in wild animal populations requires particular care in that disease transmission dynamics is a critical consideration in the etiology of both human and animal diseases, with different transmission paradigms requiring different disease risk management strategies. Since transmission of infectious diseases among wildlife depends strongly on social behavior, mechanisms of disease transmission could also change seasonally. A specific consideration in this regard confronted by modellers is whether the contact rate between individuals is density-dependent or frequency-dependent. We argue that seasonal behavior changes could lead to a seasonal shift between density and frequency dependence. This hypothesis is explored in the case of chronic wasting disease (CWD), a fatal disease that affects deer, elk and moose in many areas of North America. Specifically, we introduce a strategic CWD risk model based on direct disease transmission that accounts for the seasonal change in the transmission dynamics and habitats occupied, guided by information derived from cervid ecology. The model is composed of summer and winter susceptible-infected (SI) equations, with frequency-dependent and density-dependent transmission dynamics, respectively. The model includes impulsive birth events with density-dependent birth rate. We determine the basic reproduction number as a weighted average of two seasonal reproduction numbers. We parameterize the model from data derived from the scientific literature on CWD and deer ecology, and conduct global and local sensitivity analyses of the basic reproduction number. We explore the effectiveness of different culling strategies for the management of CWD: although summer culling seems to be an effective disease eradication strategy, the total culling rate is limited by the requirement to preserve the herd. © 2013 Elsevier Ltd. All rights reserved.
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Concept and development of an orthotropic FE model of the proximal femur.
Wirtz, Dieter Christian; Pandorf, Thomas; Portheine, Frank; Radermacher, Klaus; Schiffers, Norbert; Prescher, Andreas; Weichert, Dieter; Niethard, Fritz Uwe
2003-02-01
In contrast to many isotropic finite-element (FE) models of the femur in literature, it was the object of our study to develop an orthotropic FE "model femur" to realistically simulate three-dimensional bone remodelling. The three-dimensional geometry of the proximal femur was reconstructed by CT scans of a pair of cadaveric femurs at equal distances of 2mm. These three-dimensional CT models were implemented into an FE simulation tool. Well-known "density-determined" bony material properties (Young's modulus; Poisson's ratio; ultimate strength in pressure, tension and torsion; shear modulus) were assigned to each FE of the same "CT-density-characterized" volumetric group. In order to fix the principal directions of stiffness in FE areas with the same "density characterization", the cadaveric femurs were cut in 2mm slices in frontal (left femur) and sagittal plane (right femur). Each femoral slice was scanned into a computer-based image processing system. On these images, the principal directions of stiffness of cancellous and cortical bone were determined manually using the orientation of the trabecular structures and the Haversian system. Finally, these geometric data were matched with the "CT-density characterized" three-dimensional femur model. In addition, the time and density-dependent adaptive behaviour of bone remodelling was taken into account by implementation of Carter's criterion. In the constructed "model femur", each FE is characterized by the principal directions of the stiffness and the "CT-density-determined" material properties of cortical and cancellous bone. Thus, on the basis of anatomic data a three-dimensional FE simulation reference model of the proximal femur was realized considering orthotropic conditions of bone behaviour. With the orthotropic "model femur", the fundamental basis has been formed to realize realistic simulations of the dynamical processes of bone remodelling under different loading conditions or operative procedures (osteotomies, total hip replacements, etc).
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NASA Astrophysics Data System (ADS)
de Patoul, J.; Foullon, C.; Riley, P.
2015-12-01
Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling, and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996-1997 and 2008-2010), devoid of coronal mass ejections. We derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method. First we compare the density distributions obtained from tomography with magnetohydrodynamic (MHD) solutions. The tomography provides more accurate distributions of electron densities in the polar regions, and we find that the observed density varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We conclude that tomography offers reliable density distribution in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how it is magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in-situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus. This research combined with the MHD coronal modeling efforts has the potential to increase the reliability for future space weather forecasting.
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DFT-based Modeling of Field-Dependent Control and Response of Nanomagnetic Molecules
NASA Astrophysics Data System (ADS)
Pederson, Mark
2012-02-01
Regardless of whether one is interested in characterizing, utilizing or controlling molecular-scale systems [1], one requisite to their understanding, design, and improvement is the ability to realistically model their response to electromagnetic fields. Since such responses are often collective their description requires an understanding of the interplay between bonding, spin, spin-orbit, vibrations, and electromagnetic fields. Inclusion of spin and magnetism influences the behaviors significantly. I provide an overview of a density-functional-based method (NRLMOL) for determining resonant tunneling of magnetization and Berry's phase oscillations in molecular magnets (primarily Mn12-Acetate and derivatives) [2] and spin-electric effects in frustrated spin systems [Na12Cu3(AsW9O33)2.3H20] [3]. The complexities related to spin- and magnetically dependent transport are compared to those of a nonmagnetic case [4]. Direct comparisons to experiments will be made. Challenges and recent progress associated with incorporating these effects into a realistic description of the frequency and amplitude dependent field driven response of many-electron/spin nanosystems will be discussed.[4pt] [1] MRP and SN Khanna, PRB 60 9566 (1999).[0pt] [2] AV Postnikov, J. Kortus & MRP, PSSB 243 2533 (2006).[0pt] [3] MF Islam, JF Nossa, CM Canali, & MRP, PRB 82 15546 (2010).[0pt] [4] N.A. Zimbovskaya, MRP, AS Blum, BR Ratna and R. Allen, JCP 130 094702 (2009).
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Development and application of a density dependent matrix ...
Ranging along the Atlantic coast from US Florida to the Maritime Provinces of Canada, the Atlantic killifish (Fundulus heteroclitus) is an important and well-studied model organism for understanding the effects of pollutants and other stressors in estuarine and marine ecosystems. Matrix population models are useful tools for ecological risk assessment because they integrate effects across the life cycle, provide a linkage between endpoints observed in the individual and ecological risk to the population as a whole, and project outcomes for many generations in the future. We developed a density dependent matrix population model for Atlantic killifish by modifying a model developed for fathead minnow (Pimephales promelas) that has proved to be extremely useful, e.g. to incorporate data from laboratory studies and project effects of endocrine disrupting chemicals. We developed a size-structured model (as opposed to one that is based upon developmental stages or age class structure) so that we could readily incorporate output from a Dynamic Energy Budget (DEB) model, currently under development. Due to a lack of sufficient data to accurately define killifish responses to density dependence, we tested a number of scenarios realistic for other fish species in order to demonstrate the outcome of including this ecologically important factor. We applied the model using published data for killifish exposed to dioxin-like compounds, and compared our results to those using
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A unified dislocation density-dependent physical-based constitutive model for cold metal forming
NASA Astrophysics Data System (ADS)
Schacht, K.; Motaman, A. H.; Prahl, U.; Bleck, W.
2017-10-01
Dislocation-density-dependent physical-based constitutive models of metal plasticity while are computationally efficient and history-dependent, can accurately account for varying process parameters such as strain, strain rate and temperature; different loading modes such as continuous deformation, creep and relaxation; microscopic metallurgical processes; and varying chemical composition within an alloy family. Since these models are founded on essential phenomena dominating the deformation, they have a larger range of usability and validity. Also, they are suitable for manufacturing chain simulations since they can efficiently compute the cumulative effect of the various manufacturing processes by following the material state through the entire manufacturing chain and also interpass periods and give a realistic prediction of the material behavior and final product properties. In the physical-based constitutive model of cold metal plasticity introduced in this study, physical processes influencing cold and warm plastic deformation in polycrystalline metals are described using physical/metallurgical internal variables such as dislocation density and effective grain size. The evolution of these internal variables are calculated using adequate equations that describe the physical processes dominating the material behavior during cold plastic deformation. For validation, the model is numerically implemented in general implicit isotropic elasto-viscoplasticity algorithm as a user-defined material subroutine (UMAT) in ABAQUS/Standard and used for finite element simulation of upsetting tests and a complete cold forging cycle of case hardenable MnCr steel family.
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Valley-polarized edge pseudomagnetoplasmons in graphene: A two-component hydrodynamic model
NASA Astrophysics Data System (ADS)
Zhang, Ya; Guo, Bin; Zhai, Feng; Jiang, Wei
2018-03-01
By means of a nonlinear two-component hydrodynamic model, we study the valley-polarized collective motion of electrons in a strained graphene sheet. The self-consistent numerical solution in real space indicates the existence of valley-polarized edge plasmons due to a strain-induced pseudomagnetic field. The valley polarization of the edge pseudomagnetoplasmon can occur in a specific valley, depending on the pseudomagnetic field and the electron density in equilibrium. A full valley polarization is achieved at the edge of the graphene sheet for a pseudomagnetic field of tens of Tesla, which is a realistic value in current experimental technologies.
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Periodic box Fermi hypernetted chain calculations of neutron star crustal matter
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bassan, Nicola; Fantoni, Stefano; Schmidt, Kevin E.
2011-09-15
Neutron star crustal matter, whose properties are relevant in many models aimed at explaining observed astrophysical phenomena, has so far always been studied using a mean-field approach. To check the results obtained in this way, a sensible next step is to make use of a realistic nuclear potential. The present paper extends the periodic box Fermi hypernetted chain method to include longitudinal-isospin dependence of the correlations, making feasible a study of asymmetric crustal matter. Results are presented for the symmetry energy, the low-density neutron star equation of state, and the single-particle neutron and proton energies.
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Effect of density of states peculiarities on Hund's metal behavior
NASA Astrophysics Data System (ADS)
Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.
2018-03-01
We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with realistic density of states of iron and nickel, showing that the obtained results are more general, provided that the hybridization between states of different symmetry is sufficiently small. We find that quasiparticle damping and the formation of local magnetic moments due to Hund's exchange interaction are enhanced by both the density of states asymmetry, which yields stronger correlated electron or hole excitations, and the larger density of states at the Fermi level, increasing the number of virtual electron-hole excitations. For realistic densities of states, these two factors are often interrelated because the Fermi level is attracted towards peaks of the density of states. We discuss the implication of the obtained results to various substances and compounds, such as transition metals, iron pnictides, and cuprates.
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What FIREs Up Star Formation: the Emergence of the Kennicutt-Schmidt Law from Feedback
NASA Astrophysics Data System (ADS)
Orr, Matthew E.; Hayward, Christopher C.; Hopkins, Philip F.; Chan, T. K.; Faucher-Giguère, Claude-André; Feldmann, Robert; Kereš, Dušan; Murray, Norman; Quataert, Eliot
2018-05-01
We present an analysis of the global and spatially-resolved Kennicutt-Schmidt (KS) star formation relation in the FIRE (Feedback In Realistic Environments) suite of cosmological simulations, including halos with z = 0 masses ranging from 1010 - 1013 M⊙. We show that the KS relation emerges and is robustly maintained due to the effects of feedback on local scales regulating star-forming gas, independent of the particular small-scale star formation prescriptions employed. We demonstrate that the time-averaged KS relation is relatively independent of redshift and spatial averaging scale, and that the star formation rate surface density is weakly dependent on metallicity and inversely dependent on orbital dynamical time. At constant star formation rate surface density, the `Cold & Dense' gas surface density (gas with T < 300 K and n > 10 cm-3, used as a proxy for the molecular gas surface density) of the simulated galaxies is ˜0.5 dex less than observed at ˜kpc scales. This discrepancy may arise from underestimates of the local column density at the particle-scale for the purposes of shielding in the simulations. Finally, we show that on scales larger than individual giant molecular clouds, the primary condition that determines whether star formation occurs is whether a patch of the galactic disk is thermally Toomre-unstable (not whether it is self-shielding): once a patch can no longer be thermally stabilized against fragmentation, it collapses, becomes self-shielding, cools, and forms stars, regardless of epoch or environment.
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Self-consistent calculation of the nuclear composition in hot and dense stellar matter
NASA Astrophysics Data System (ADS)
Furusawa, Shun; Mishustin, Igor
2017-03-01
We investigate the mass fractions and in-medium properties of heavy nuclei in stellar matter at characteristic densities and temperatures for supernova (SN) explosions. The individual nuclei are described within the compressible liquid-drop model taking into account modifications of bulk, surface, and Coulomb energies. The equilibrium properties of nuclei and the full ensemble of heavy nuclei are calculated self-consistently. It is found that heavy nuclei in the ensemble are either compressed or decompressed depending on the isospin asymmetry of the system. The compression or decompression has a little influence on the binding energies, total mass fractions, and average mass numbers of heavy nuclei, although the equilibrium densities of individual nuclei themselves are changed appreciably above one-hundredth of normal nuclear density. We find that nuclear structure in the single-nucleus approximation deviates from the actual one obtained in the multinucleus description, since the density of free nucleons is different between these two descriptions. This study indicates that a multinucleus description is required to realistically account for in-medium effects on the nuclear structure in supernova matter.
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Divergence of activity expansions: Is it actually a problem?
NASA Astrophysics Data System (ADS)
Ushcats, M. V.; Bulavin, L. A.; Sysoev, V. M.; Ushcats, S. Yu.
2017-12-01
For realistic interaction models, which include both molecular attraction and repulsion (e.g., Lennard-Jones, modified Lennard-Jones, Morse, and square-well potentials), the asymptotic behavior of the virial expansions for pressure and density in powers of activity has been studied taking power terms of high orders into account on the basis of the known finite-order irreducible integrals as well as the recent approximations of infinite irreducible series. Even in the divergence region (at subcritical temperatures), this behavior stays thermodynamically adequate (in contrast to the behavior of the virial equation of state with the same set of irreducible integrals) and corresponds to the beginning of the first-order phase transition: the divergence yields the jump (discontinuity) in density at constant pressure and chemical potential. In general, it provides a statistical explanation of the condensation phenomenon, but for liquid or solid states, the physically proper description (which can turn the infinite discontinuity into a finite jump of density) still needs further study of high-order cluster integrals and, especially, their real dependence on the system volume (density).
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Radar sea reflection for low-e targets
NASA Astrophysics Data System (ADS)
Chow, Winston C.; Groves, Gordon W.
1998-09-01
Modeling radar signal reflection from a wavy sea surface uses a realistic characteristic of the large surface features and parameterizes the effect of the small roughness elements. Representation of the reflection coefficient at each point of the sea surface as a function of the Specular Deviation Angle is, to our knowledge, a novel approach. The objective is to achieve enough simplification and retain enough fidelity to obtain a practical multipath model. The 'specular deviation angle' as used in this investigation is defined and explained. Being a function of the sea elevations, which are stochastic in nature, this quantity is also random and has a probability density function. This density function depends on the relative geometry of the antenna and target positions, and together with the beam- broadening effect of the small surface ripples determined the reflectivity of the sea surface at each point. The probability density function of the specular deviation angle is derived. The distribution of the specular deviation angel as function of position on the mean sea surface is described.
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Cell wall microstructure, pore size distribution and absolute density of hemp shiv
Lawrence, M.; Ansell, M. P.; Hussain, A.
2018-01-01
This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3–10 nm) and macropores (0.1–1 µm and 20–80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm−3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes’ methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation. PMID:29765652
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Cell wall microstructure, pore size distribution and absolute density of hemp shiv
NASA Astrophysics Data System (ADS)
Jiang, Y.; Lawrence, M.; Ansell, M. P.; Hussain, A.
2018-04-01
This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3-10 nm) and macropores (0.1-1 µm and 20-80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm-3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes' methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation.
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NASA Astrophysics Data System (ADS)
Minkel, Donald Howe
Effects of gravity on buckle folding are studied using a Newtonian fluid finite element model of a single layer embedded between two thicker less viscous layers. The methods allow arbitrary density jumps, surface tension coefficients, resistance to slip at the interfaces, and tracking of fold growth to a large amplitudes. When density increases downward in two equal jumps, a layer buckles less and thickens more than with uniform density. When density increases upward in two equal jumps, it buckles more and thickens less. A low density layer with periodic thickness variations buckles more, sometimes explosively. Thickness variations form, even if not present initially. These effects are greater with; smaller viscosities, larger density jump, larger length scale, and slower shortening rate. They also depend on wavelength and amplitude, and these dependencies are described in detail. The model is applied to the explosive growth of the salt anticlines of the Paradox Basin, Colorado and Utah. There, shale (higher density) overlies salt (lower density). Methods for simulating realistic earth surface erosion and deposition conditions are introduced. Growth rates increase both with ease of slip at the salt-shale interface, and when earth surface relief stays low due to erosion and deposition. Model anticlines grow explosively, attaining growth rates and amplitudes close to those of the field examples. Fastest growing wavelengths are the same as seen in the field. It is concluded that a combination of partial-slip at the salt-shale interface, with reasonable earth surface conditions, promotes sufficiently fast buckling of the salt-shale interface due to density inversion alone. Neither basement faulting, nor tectonic shortening is required to account for the observed structures. Of fundamental importance is the strong tendency of gravity to promote buckling in low density layers with thickness variations. These develop, even if not present initially.
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Schmidt, Thomas; Marchetto, Helder; Groh, Ullrich; Fink, Rainer H; Freund, Hans-Joachim; Umbach, Eberhard
2018-05-15
We investigated the dynamics of the initial growth of the first epitaxial layers of perylenetetracarboxylic dianhydride (PTCDA) on the Au(111) surface with high lateral resolution using the aberration-corrected spectro-microscope SMART. With this instrument, we could simultaneously study the different adsorption behaviors and layer growth on various surface areas consisting of either a distribution of flat (111) terraces, separated by single atomic steps ("ideal surface"), or on areas with a high density of step bunches and defects ("realistic surface"). The combined use of photoemission electron microscopy, low-energy electron microscopy, and μ-spot X-ray absorption provided a wealth of new information, showing that the growth of the archetype molecule PTCDA not only has similarities but also has significant differences when comparing Au(111) and Ag(111) substrate surfaces. For instance, under otherwise identical preparation conditions, we observed different growth mechanisms on different surface regions, depending on the density of step bunches. In addition, we studied the spatially resolved desorption behavior which also depends on the substrate morphology.
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Estimation of density of mongooses with capture-recapture and distance sampling
Corn, J.L.; Conroy, M.J.
1998-01-01
We captured mongooses (Herpestes javanicus) in live traps arranged in trapping webs in Antigua, West Indies, and used capture-recapture and distance sampling to estimate density. Distance estimation and program DISTANCE were used to provide estimates of density from the trapping-web data. Mean density based on trapping webs was 9.5 mongooses/ha (range, 5.9-10.2/ha); estimates had coefficients of variation ranging from 29.82-31.58% (X?? = 30.46%). Mark-recapture models were used to estimate abundance, which was converted to density using estimates of effective trap area. Tests of model assumptions provided by CAPTURE indicated pronounced heterogeneity in capture probabilities and some indication of behavioral response and variation over time. Mean estimated density was 1.80 mongooses/ha (range, 1.37-2.15/ha) with estimated coefficients of variation of 4.68-11.92% (X?? = 7.46%). Estimates of density based on mark-recapture data depended heavily on assumptions about animal home ranges; variances of densities also may be underestimated, leading to unrealistically narrow confidence intervals. Estimates based on trap webs require fewer assumptions, and estimated variances may be a more realistic representation of sampling variation. Because trap webs are established easily and provide adequate data for estimation in a few sample occasions, the method should be efficient and reliable for estimating densities of mongooses.
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Layer-switching cost and optimality in information spreading on multiplex networks
Min, Byungjoon; Gwak, Sang-Hwan; Lee, Nanoom; Goh, K. -I.
2016-01-01
We study a model of information spreading on multiplex networks, in which agents interact through multiple interaction channels (layers), say online vs. offline communication layers, subject to layer-switching cost for transmissions across different interaction layers. The model is characterized by the layer-wise path-dependent transmissibility over a contact, that is dynamically determined dependently on both incoming and outgoing transmission layers. We formulate an analytical framework to deal with such path-dependent transmissibility and demonstrate the nontrivial interplay between the multiplexity and spreading dynamics, including optimality. It is shown that the epidemic threshold and prevalence respond to the layer-switching cost non-monotonically and that the optimal conditions can change in abrupt non-analytic ways, depending also on the densities of network layers and the type of seed infections. Our results elucidate the essential role of multiplexity that its explicit consideration should be crucial for realistic modeling and prediction of spreading phenomena on multiplex social networks in an era of ever-diversifying social interaction layers. PMID:26887527
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Evidence of Long Range Dependence and Self-similarity in Urban Traffic Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Thakur, Gautam S; Helmy, Ahmed; Hui, Pan
2015-01-01
Transportation simulation technologies should accurately model traffic demand, distribution, and assignment parame- ters for urban environment simulation. These three param- eters significantly impact transportation engineering bench- mark process, are also critical in realizing realistic traffic modeling situations. In this paper, we model and charac- terize traffic density distribution of thousands of locations around the world. The traffic densities are generated from millions of images collected over several years and processed using computer vision techniques. The resulting traffic den- sity distribution time series are then analyzed. It is found using the goodness-of-fit test that the traffic density dis- tributions follows heavy-tailmore » models such as Log-gamma, Log-logistic, and Weibull in over 90% of analyzed locations. Moreover, a heavy-tail gives rise to long-range dependence and self-similarity, which we studied by estimating the Hurst exponent (H). Our analysis based on seven different Hurst estimators strongly indicate that the traffic distribution pat- terns are stochastically self-similar (0.5 H 1.0). We believe this is an important finding that will influence the design and development of the next generation traffic simu- lation techniques and also aid in accurately modeling traffic engineering of urban systems. In addition, it shall provide a much needed input for the development of smart cities.« less
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Are ultracompact minihalos really ultracompact?
NASA Astrophysics Data System (ADS)
Delos, M. Sten; Erickcek, Adrienne L.; Bailey, Avery P.; Alvarez, Marcelo A.
2018-02-01
Ultracompact minihalos (UCMHs) have emerged as a valuable probe of the primordial power spectrum of density fluctuations at small scales. UCMHs are expected to form at early times in regions with δ ρ /ρ ≳10-3 , and they are theorized to possess an extremely compact ρ ∝r-9 /4 radial density profile, which enhances their observable signatures. Nonobservation of UCMHs can thus constrain the primordial power spectrum. Using N -body simulations to study the collapse of extreme density peaks at z ≃1000 , we show that UCMHs forming under realistic conditions do not develop the ρ ∝r-9 /4 profile and instead develop either ρ ∝r-3 /2 or ρ ∝r-1 inner density profiles depending on the shape of the power spectrum. We also demonstrate via idealized simulations that self-similarity—the absence of a scale length—is necessary to produce a halo with the ρ ∝r-9 /4 profile, and we argue that this implies such halos cannot form from a Gaussian primordial density field. Prior constraints derived from UCMH nonobservation must be reworked in light of this discovery. Although the shallower density profile reduces UCMH visibility, our findings reduce their signal by as little as O (10-2) while allowing later-forming halos to be considered, which suggests that new constraints could be significantly stronger.
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Superconducting gap in cuprate high temperature superconductors
NASA Astrophysics Data System (ADS)
Verma, Sanjeev K.; Kumari, Anita; Gupta, Anushri; Indu, B. D.
2018-05-01
The many body quantum dynamical evaluation of double time thermodynamic electron Green's functions followed by generalized electron density of states (EDOS) is used to study the superconducting gap (SG). The dependence of EDOS on defects, anharmonicity and electron-phonon interactions makes the problem quite complicated and challenging but furnishes the more realistic grounds to study the SG both in conventional and high temperature superconductors (HTS). For simplicity, only electron-phonon interaction has been taken up to evaluate the intricate integral to enumerate the SG for representative cuprate HTS: YBa2Cu3O7-δ and results show 2Δ/kBTc ⋍ 7.2.
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Determination of the Thermal Noise Limit of Graphene Biotransistors.
Crosser, Michael S; Brown, Morgan A; McEuen, Paul L; Minot, Ethan D
2015-08-12
To determine the thermal noise limit of graphene biotransistors, we have measured the complex impedance between the basal plane of single-layer graphene and an aqueous electrolyte. The impedance is dominated by an imaginary component but has a finite real component. Invoking the fluctuation-dissipation theorem, we determine the power spectral density of thermally driven voltage fluctuations at the graphene/electrolyte interface. The fluctuations have 1/f(p) dependence, with p = 0.75-0.85, and the magnitude of fluctuations scales inversely with area. Our results explain noise spectra previously measured in liquid-gated suspended graphene devices and provide realistic targets for future device performance.
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Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects.
Bathelt, Christine M; Ridder, Lars; Mulholland, Adrian J; Harvey, Jeremy N
2003-12-10
The mechanism and selectivity of aromatic hydroxylation by cytochrome P450 enzymes is explored using new B3LYP density functional theory computations. The calculations, using a realistic porphyrin model system, show that rate-determining addition of compound I to an aromatic carbon atom proceeds via a transition state with partial radical and cationic character. Reactivity is shown to depend strongly on ring substituents, with both electron-withdrawing and -donating groups strongly decreasing the addition barrier in the para position, and it is shown that the calculated barrier heights can be reproduced by a new dual-parameter equation based on radical and cationic Hammett sigma parameters.
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Rubinov, Mikail; Sporns, Olaf; Thivierge, Jean-Philippe; Breakspear, Michael
2011-06-01
Self-organized criticality refers to the spontaneous emergence of self-similar dynamics in complex systems poised between order and randomness. The presence of self-organized critical dynamics in the brain is theoretically appealing and is supported by recent neurophysiological studies. Despite this, the neurobiological determinants of these dynamics have not been previously sought. Here, we systematically examined the influence of such determinants in hierarchically modular networks of leaky integrate-and-fire neurons with spike-timing-dependent synaptic plasticity and axonal conduction delays. We characterized emergent dynamics in our networks by distributions of active neuronal ensemble modules (neuronal avalanches) and rigorously assessed these distributions for power-law scaling. We found that spike-timing-dependent synaptic plasticity enabled a rapid phase transition from random subcritical dynamics to ordered supercritical dynamics. Importantly, modular connectivity and low wiring cost broadened this transition, and enabled a regime indicative of self-organized criticality. The regime only occurred when modular connectivity, low wiring cost and synaptic plasticity were simultaneously present, and the regime was most evident when between-module connection density scaled as a power-law. The regime was robust to variations in other neurobiologically relevant parameters and favored systems with low external drive and strong internal interactions. Increases in system size and connectivity facilitated internal interactions, permitting reductions in external drive and facilitating convergence of postsynaptic-response magnitude and synaptic-plasticity learning rate parameter values towards neurobiologically realistic levels. We hence infer a novel association between self-organized critical neuronal dynamics and several neurobiologically realistic features of structural connectivity. The central role of these features in our model may reflect their importance for neuronal information processing.
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Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2.
Nguyen, Triet S; Parkhill, John
2015-07-14
We develop a new model to simulate nonradiative relaxation and dephasing by combining real-time Hartree-Fock and density functional theory (DFT) with our recent open-systems theory of electronic dynamics. The approach has some key advantages: it has been systematically derived and properly relaxes noninteracting electrons to a Fermi-Dirac distribution. This paper combines the new dissipation theory with an atomistic, all-electron quantum chemistry code and an atom-centered model of the thermal environment. The environment is represented nonempirically and is dependent on molecular structure in a nonlocal way. A production quality, O(N(3)) closed-shell implementation of our theory applicable to realistic molecular systems is presented, including timing information. This scaling implies that the added cost of our nonadiabatic relaxation model, time-dependent open self-consistent field at second order (OSCF2), is computationally inexpensive, relative to adiabatic propagation of real-time time-dependent Hartree-Fock (TDHF) or time-dependent density functional theory (TDDFT). Details of the implementation and numerical algorithm, including factorization and efficiency, are discussed. We demonstrate that OSCF2 approaches the stationary self-consistent field (SCF) ground state when the gap is large relative to k(b)T. The code is used to calculate linear-response spectra including the effects of bath dynamics. Finally, we show how our theory of finite-temperature relaxation can be used to correct ground-state DFT calculations.
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Newtonian noise and ambient ground motion for gravitational wave detectors
NASA Astrophysics Data System (ADS)
Beker, M. G.; van den Brand, J. F. J.; Hennes, E.; Rabeling, D. S.
2012-06-01
Fluctuations of the local gravitational field as a result of seismic and atmospheric displacements will limit the sensitivity of ground based gravitational wave detectors at frequencies below 10 Hz. We discuss the implications of Newtonian noise for future third generation gravitational wave detectors. The relevant seismic wave fields are predominately of human origin and are dependent on local infrastructure and population density. Seismic studies presented here show that considerable seismic noise reduction is possible compared to current detector locations. A realistic seismic amplitude spectral density of a suitably quiet site should not exceed 0.5 nm/(Hz/f)2 above 1 Hz. Newtonian noise models have been developed both analytically and by finite element analysis. These show that the contribution to Newtonian noise from surface waves due to distance sources significantly reduces with depth. Seismic displacements from local sources and body waves then become the dominant contributors to the Newtonian fluctuations.
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A self-consistent field method for galactic dynamics
NASA Technical Reports Server (NTRS)
Hernquist, Lars; Ostriker, Jeremiah P.
1992-01-01
The present study describes an algorithm for evolving collisionless stellar systems in order to investigate the evolution of systems with density profiles like the R exp 1/4 law, using only a few terms in the expansions. A good fit is obtained for a truncated isothermal distribution, which renders the method appropriate for galaxies with flat rotation curves. Calculations employing N of about 10 exp 6-7 are straightforward on existing supercomputers, making possible simulations having significantly smoother fields than with direct methods such as tree-codes. Orbits are found in a given static or time-dependent gravitational field; the potential, phi(r, t) is revised from the resultant density, rho(r, t). Possible scientific uses of this technique are discussed, including tidal perturbations of dwarf galaxies, the adiabatic growth of central masses in spheroidal galaxies, instabilities in realistic galaxy models, and secular processes in galactic evolution.
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Kinetic Monte Carlo Simulations of Scintillation Processes in NaI(Tl)
NASA Astrophysics Data System (ADS)
Kerisit, Sebastien; Wang, Zhiguo; Williams, Richard T.; Grim, Joel Q.; Gao, Fei
2014-04-01
Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this paper to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.
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NASA Technical Reports Server (NTRS)
Khazanov, G. V.; Gallagher, D. L.; Gamayunov, K.
2007-01-01
It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.
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NASA Astrophysics Data System (ADS)
Geiger, S.; Driesner, T.; Matthai, S.; Heinrich, C.
2002-12-01
Realistic modelling of multi-phase fluid flow, energy and component transport in magmatic-hydrothermal systems is very challenging because hydrological properties of fluids and rocks vary over many orders of magnitude and the geometric complexities of such systems. Furthermore, density dependent component transport and transient permeability variations due to P-T changes and fluid-rock interactions introduce additional difficulties. As a result, the governing equations for the hydrodynamics, energy and component transport, and thermodynamics in magmatic hydrothermal systems are highly non-linear and strongly coupled. Essential requirements of a numerical formulation for such a system are: (1) a treatment of the hydrodynamics that can accurately resolve complex geological structures and represent the highly variable fluid velocities herein, (2) a realistic thermodynamic representation of the fluid properties including the wide P-T-X range of liquid+vapour coexistence for the highly saline fluids, and (3) an accurate handling of the highly contrasting transport properties of the two fluids. We are combining higher order finite-element (FE) methods with total variation diminishing finite volume (TVDFV) methods to model the hydrodynamics and energy and component transport of magmatic hydrothermal systems. Combined FE and TVDFV methods are mass and shock preserving, yield great geometric flexibility in 2D and 3D [2]. Furthermore, efficient matrix solvers can be employed to model fluid flow in geologically realistic structures [5]. The governing equations are linearized by operator-splitting and solved sequentially using a Picard iteration scheme. We chose the system water-NaCl as a realistic proxy for natural fluids occurring in magmatic-hydrothermal systems. An in-depth evaluation of the available experimental and theoretical data led to a consistent and accurate set of formulations for the PVTXH relations that are valid from 0 to 800 C, 0 to 500 MPa, and 0 to 1 XNaCl. Dynamic viscosities are currently approximated by the approach of Palliser and McKibbin [4]. The numerical solutions of the governing equations and the equation of state are embedded in our object-oriented C++ code CSP3D4.0 [6]. Comparisons of the numerical solutions carried out with CSP for solute transport with analytical solutions and classical test cases for density dependent flow (i.e., Elder problem [1]) show very good agreement. The numerical solutions carried out with CSP and the established United States Geological Survey code HYDROTHERM [3] for multi-phase flow and energy transport also yield a very good agreement. Fluid inclusion data can be used to constrain the PTX properties of the hydrothermal fluids in numerical solutions. [1] Journal of Fluid Mechanics 27, 609-623 [2] ANU Mathematical Research Report, MRR01-023 [3] USGS Water Investigations Report 94-4045 [4] Transport in Porous Media 33, 155-171 [5] AAPG Bulletin 80, 1763-1779 [6] CSP User's Guide, Dept. of Earth Sciences ETH Zurich
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Genetic benefits of a female mating preference in gray tree frogs are context-dependent.
Welch, Allison M
2003-04-01
"Good genes" models of sexual selection predict that male courtship displays can advertise genetic quality and that, by mating with males with extreme displays, females can obtain genetic benefits for their offspring. However, because the relative performance of different genotypes can vary across environments, these genetic benefits may depend on the environmental context; in which case, static mating preferences may not be adaptive. To better understand how selection acts on the preference that female gray tree frogs (Hyla versicolor) express for long advertisement calls, I tested for genetic benefits in two realistic natural environments, by comparing the performance of half-sibling offspring sired by males with long versus short calls. Tadpoles from twelve such maternal half-sibships were raised in enclosures in their natal pond at two densities. In the low-density treatment, offspring of long-call males were larger at metamorphosis than were offspring of short-call males, whereas in the high-density treatment, offspring of males with long calls tended to metamorphose later than offspring of males with short calls. Thus, although the genes indicated by long calls were advantageous under low-density conditions, they were not beneficial under all conditions, suggesting that a static preference for long calls may not be adaptive in all environments. Such a genotype-by-environment interaction in the genetic consequences of mate choice predicts that when the environment is variable, selection may favor plasticity in female preferences or female selectivity among environments to control the conditions experienced by the offspring.
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NASA Astrophysics Data System (ADS)
Zhai, Yunfeng; St-Pierre, Jean
2017-12-01
Realistically, proton exchange membrane fuel cells (PEMFCs) are operated under varying operating conditions that potentially impact the acetylene contamination reactions. In this paper, the effects of the cell operating conditions on the acetylene contamination in PEMFCs are investigated under different current densities and temperatures with different acetylene concentrations in the cathode. Electrochemical impedance spectroscopy is applied during the constant-current operation to analyze the impacts of the operating conditions on the acetylene electrochemical reactions. The experimental results indicate that higher acetylene concentrations, higher current densities and lower cell temperatures decrease the cell performance more. In particular, cathode poisoning becomes more severe at medium cell current densities. The cell cathode potentials at such current densities are not sufficient to completely oxidize the intermediate or sufficiently low to completely reduce the adsorbed acetylene. Based on these investigations, the possible condition-dependent limitations of the acetylene concentration and cell operating voltage are proposed for insight into the acetylene contamination mitigation stratagem. Regarding the barrier conditions, the acetylene reactions change abruptly, and adjusting the cell operation parameters to change the acetylene adsorbate and intermediate accumulation conditions to induce complete oxidation or reduction conditions may mitigate the severe acetylene contamination effects on PEMFCs.
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Mangen, M-J J; Nielen, M; Burrell, A M
2002-12-18
We examined the importance of pig-population density in the area of an outbreak of classical swine fever (CSF) for the spread of the infection and the choice of control measures. A spatial, stochastic, dynamic epidemiological simulation model linked to a sector-level market-and-trade model for The Netherlands were used. Outbreaks in sparsely and densely populated areas were compared under four different control strategies and with two alternative trade assumptions. The obligatory control strategy required by current EU legislation was predicted to be enough to eradicate an epidemic starting in an area with sparse pig population. By contrast, additional control measures would be necessary if the outbreak began in an area with high pig density. The economic consequences of using preventive slaughter rather than emergency vaccination as an additional control measure depended strongly on the reactions of trading partners. Reducing the number of animal movements significantly reduced the size and length of epidemics in areas with high pig density. The phenomenon of carrier piglets was included in the model with realistic probabilities of infection by this route, but it made a negligible contribution to the spread of the infection.
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NASA Astrophysics Data System (ADS)
Pathiraja, S. D.; Moradkhani, H.; Marshall, L. A.; Sharma, A.; Geenens, G.
2016-12-01
Effective combination of model simulations and observations through Data Assimilation (DA) depends heavily on uncertainty characterisation. Many traditional methods for quantifying model uncertainty in DA require some level of subjectivity (by way of tuning parameters or by assuming Gaussian statistics). Furthermore, the focus is typically on only estimating the first and second moments. We propose a data-driven methodology to estimate the full distributional form of model uncertainty, i.e. the transition density p(xt|xt-1). All sources of uncertainty associated with the model simulations are considered collectively, without needing to devise stochastic perturbations for individual components (such as model input, parameter and structural uncertainty). A training period is used to derive the distribution of errors in observed variables conditioned on hidden states. Errors in hidden states are estimated from the conditional distribution of observed variables using non-linear optimization. The theory behind the framework and case study applications are discussed in detail. Results demonstrate improved predictions and more realistic uncertainty bounds compared to a standard perturbation approach.
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A Transfer Hamiltonian Model for Devices Based on Quantum Dot Arrays
Illera, S.; Prades, J. D.; Cirera, A.; Cornet, A.
2015-01-01
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide. PMID:25879055
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A transfer hamiltonian model for devices based on quantum dot arrays.
Illera, S; Prades, J D; Cirera, A; Cornet, A
2015-01-01
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide.
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NASA Astrophysics Data System (ADS)
Keshavarz, Samara; Schött, Johan; Millis, Andrew J.; Kvashnin, Yaroslav O.
2018-05-01
Density functional theory augmented with Hubbard-U corrections (DFT+U ) is currently one of the most widely used methods for first-principles electronic structure modeling of insulating transition-metal oxides (TMOs). Since U is relatively large compared to bandwidths, the magnetic excitations in TMOs are expected to be well described by a Heisenberg model. However, in practice the calculated exchange parameters Ji j depend on the magnetic configuration from which they are extracted and on the functional used to compute them. In this work we investigate how the spin polarization dependence of the underlying exchange-correlation functional influences the calculated magnetic exchange constants of TMOs. We perform a systematic study of the predictions of calculations based on the local density approximation plus U (LDA+U ) and the local spin density approximation plus U (LSDA+U ) for the electronic structures, total energies, and magnetic exchange interactions Ji j extracted from ferromagnetic (FM) and antiferromagnetic (AFM) configurations of several transition-metal oxide materials. We report that for realistic choices of Hubbard U and Hund's J parameters, LSDA+U and LDA+U calculations result in different values of the magnetic exchange constants and band gap. The dependence of the band gap on the magnetic configuration is stronger in LDA+U than in LSDA+U and we argue that this is the main reason why the configuration dependence of Ji j is found to be systematically more pronounced in LDA+U than in LSDA+U calculations. We report a very good correspondence between the computed total energies and the parametrized Heisenberg model for LDA+U calculations, but not for LSDA+U , suggesting that LDA+U is a more appropriate method for estimating exchange interactions.
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Halbach, Udo; Burkhardt, Heinz Jürgen
1972-09-01
Laboratory populations of the rotifer Brachionus calyciflorus were cultured at different temperatures (25, 20, 15°C) but otherwise at constant conditions. The population densities showed relatively constant oscillations (Figs. 1 to 3A-C). Amplitudes and frequencies of the oscillations were positively correlated with temperature (Table 1). A test was made, whether the logistic growth function with simple time lag is able to describe the population curves. There are strong similarities between the simulations (Figs. 1-3E) and the real population dynamics if minor adjustments of the empirically determined parameters are made. There-fore it is suggested that time lags are responsible for the observed oscillations. However, the actual time lags probably do not act in the simple manner of the model, because birth and death rates react with different time lags, and both parameters are dependent on individual age and population density. A more complex model, which incorporates these modifications, should lead to a more realistic description of the observed oscillations.
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Evaluation and attribution of vegetation contribution to seasonal climate predictability
NASA Astrophysics Data System (ADS)
Catalano, Franco; Alessandri, Andrea; De Felice, Matteo
2015-04-01
The land surface model of EC-Earth has been modified to include dependence of vegetation densities on the Leaf Area Index (LAI), based on the Lambert-Beer formulation. Effective vegetation fractional coverage can now vary at seasonal and interannual time-scales and therefore affect biophysical parameters such as the surface roughness, albedo and soil field capacity. The modified model is used to perform a real predictability seasonal hindcast experiment. LAI is prescribed using a recent observational dataset based on the third generation GIMMS and MODIS satellite data. Hindcast setup is: 7 months forecast length, 2 start dates (1st May and 1st November), 10 members, 28 years (1982-2009). The effect of the realistic LAI prescribed from observation is evaluated with respect to a control experiment where LAI does not vary. Hindcast results demonstrate that a realistic representation of vegetation significantly improves the forecasts of temperature and precipitation. The sensitivity is particularly large for temperature during boreal winter over central North America and Central Asia. This may be attributed in particular to the effect of the high vegetation component on the snow cover. Summer forecasts are improved in particular for precipitation over Europe, Sahel, North America, West Russia and Nordeste. Correlation improvements depends on the links between targets (temperature and precipitation) and drivers (surface heat fluxes, albedo, soil moisture, evapotranspiration, moisture divergence) which varies from region to region.
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Ups and Downs in the Ocean: Effects of Biofouling on Vertical Transport of Microplastics.
Kooi, Merel; Nes, Egbert H van; Scheffer, Marten; Koelmans, Albert A
2017-07-18
Recent studies suggest size-selective removal of small plastic particles from the ocean surface, an observation that remains unexplained. We studied one of the hypotheses regarding this size-selective removal: the formation of a biofilm on the microplastics (biofouling). We developed the first theoretical model that is capable of simulating the effect of biofouling on the fate of microplastic. The model is based on settling, biofilm growth, and ocean depth profiles for light, water density, temperature, salinity, and viscosity. Using realistic parameters, the model simulates the vertical transport of small microplastic particles over time, and predicts that the particles either float, sink to the ocean floor, or oscillate vertically, depending on the size and density of the particle. The predicted size-dependent vertical movement of microplastic particles results in a maximum concentration at intermediate depths. Consequently, relatively low abundances of small particles are predicted at the ocean surface, while at the same time these small particles may never reach the ocean floor. Our results hint at the fate of "lost" plastic in the ocean, and provide a start for predicting risks of exposure to microplastics for potentially vulnerable species living at these depths.
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Semilocal density functional obeying a strongly tightened bound for exchange
Sun, Jianwei; Perdew, John P.; Ruzsinszky, Adrienn
2015-01-01
Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb–Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic “meta-GGA made very simple” (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew–Burke–Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules. PMID:25561554
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Semilocal density functional obeying a strongly tightened bound for exchange.
Sun, Jianwei; Perdew, John P; Ruzsinszky, Adrienn
2015-01-20
Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provide useful information about this functional. The local spin-density approximation (LSDA) was the first constraint-based density functional. The Lieb-Oxford lower bound on the exchange-correlation energy for any density is another constraint that plays an important role in the development of generalized gradient approximations (GGAs) and meta-GGAs. Recently, a strongly and optimally tightened lower bound on the exchange energy was proved for one- and two-electron densities, and conjectured for all densities. In this article, we present a realistic "meta-GGA made very simple" (MGGA-MVS) for exchange that respects this optimal bound, which no previous beyond-LSDA approximation satisfies. This constraint might have been expected to worsen predicted thermochemical properties, but in fact they are improved over those of the Perdew-Burke-Ernzerhof GGA, which has nearly the same correlation part. MVS exchange is however radically different from that of other GGAs and meta-GGAs. Its exchange enhancement factor has a very strong dependence upon the orbital kinetic energy density, which permits accurate energies even with the drastically tightened bound. When this nonempirical MVS meta-GGA is hybridized with 25% of exact exchange, the resulting global hybrid gives excellent predictions for atomization energies, reaction barriers, and weak interactions of molecules.
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Beyond R0 Maximisation: On Pathogen Evolution and Environmental Dimensions.
Lion, Sébastien; Metz, Johan A J
2018-06-01
A widespread tenet is that evolution of pathogens maximises their basic reproduction ratio, R 0 . The breakdown of this principle is typically discussed as exception. Here, we argue that a radically different stance is needed, based on evolutionarily stable strategy (ESS) arguments that take account of the 'dimension of the environmental feedback loop'. The R 0 maximisation paradigm requires this feedback loop to be one-dimensional, which notably excludes pathogen diversification. By contrast, almost all realistic ecological ingredients of host-pathogen interactions (density-dependent mortality, multiple infections, limited cross-immunity, multiple transmission routes, host heterogeneity, and spatial structure) will lead to multidimensional feedbacks. Copyright © 2018 Elsevier Ltd. All rights reserved.
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Suppression of Self-Induced Flavor Conversion in the Supernova Accretion Phase
NASA Astrophysics Data System (ADS)
Sarikas, Srdjan; Raffelt, Georg G.; Hüdepohl, Lorenz; Janka, Hans-Thomas
2012-02-01
Self-induced flavor conversions of supernova (SN) neutrinos can strongly modify the flavor-dependent fluxes. We perform a linearized flavor stability analysis with accretion-phase matter profiles of a 15M⊙ spherically symmetric model and corresponding neutrino fluxes. We use realistic energy and angle distributions, the latter deviating strongly from quasi-isotropic emission, thus accounting for both multiangle and multienergy effects. For our matter and neutrino density profile we always find stable conditions: flavor conversions are limited to the usual Mikheyev-Smirnov-Wolfenstein effect. In this case one may distinguish the neutrino mass hierarchy in a SN neutrino signal if the mixing angle θ13 is as large as suggested by recent experiments.
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Suppression of self-induced flavor conversion in the supernova accretion phase.
Sarikas, Srdjan; Raffelt, Georg G; Hüdepohl, Lorenz; Janka, Hans-Thomas
2012-02-10
Self-induced flavor conversions of supernova (SN) neutrinos can strongly modify the flavor-dependent fluxes. We perform a linearized flavor stability analysis with accretion-phase matter profiles of a 15M[symbol: see text] spherically symmetric model and corresponding neutrino fluxes. We use realistic energy and angle distributions, the latter deviating strongly from quasi-isotropic emission, thus accounting for both multiangle and multienergy effects. For our matter and neutrino density profile we always find stable conditions: flavor conversions are limited to the usual Mikheyev-Smirnov-Wolfenstein effect. In this case one may distinguish the neutrino mass hierarchy in a SN neutrino signal if the mixing angle θ13 is as large as suggested by recent experiments.
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Sea-ice deformation in a coupled ocean-sea-ice model and in satellite remote sensing data
NASA Astrophysics Data System (ADS)
Spreen, Gunnar; Kwok, Ron; Menemenlis, Dimitris; Nguyen, An T.
2017-07-01
A realistic representation of sea-ice deformation in models is important for accurate simulation of the sea-ice mass balance. Simulated sea-ice deformation from numerical simulations with 4.5, 9, and 18 km horizontal grid spacing and a viscous-plastic (VP) sea-ice rheology are compared with synthetic aperture radar (SAR) satellite observations (RGPS, RADARSAT Geophysical Processor System) for the time period 1996-2008. All three simulations can reproduce the large-scale ice deformation patterns, but small-scale sea-ice deformations and linear kinematic features (LKFs) are not adequately reproduced. The mean sea-ice total deformation rate is about 40 % lower in all model solutions than in the satellite observations, especially in the seasonal sea-ice zone. A decrease in model grid spacing, however, produces a higher density and more localized ice deformation features. The 4.5 km simulation produces some linear kinematic features, but not with the right frequency. The dependence on length scale and probability density functions (PDFs) of absolute divergence and shear for all three model solutions show a power-law scaling behavior similar to RGPS observations, contrary to what was found in some previous studies. Overall, the 4.5 km simulation produces the most realistic divergence, vorticity, and shear when compared with RGPS data. This study provides an evaluation of high and coarse-resolution viscous-plastic sea-ice simulations based on spatial distribution, time series, and power-law scaling metrics.
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Recovering dark-matter clustering from galaxies with Gaussianization
NASA Astrophysics Data System (ADS)
McCullagh, Nuala; Neyrinck, Mark; Norberg, Peder; Cole, Shaun
2016-04-01
The Gaussianization transform has been proposed as a method to remove the issues of scale-dependent galaxy bias and non-linearity from galaxy clustering statistics, but these benefits have yet to be thoroughly tested for realistic galaxy samples. In this paper, we test the effectiveness of the Gaussianization transform for different galaxy types by applying it to realistic simulated blue and red galaxy samples. We show that in real space, the shapes of the Gaussianized power spectra of both red and blue galaxies agree with that of the underlying dark matter, with the initial power spectrum, and with each other to smaller scales than do the statistics of the usual (untransformed) density field. However, we find that the agreement in the Gaussianized statistics breaks down in redshift space. We attribute this to the fact that red and blue galaxies exhibit very different fingers of god in redshift space. After applying a finger-of-god compression, the agreement on small scales between the Gaussianized power spectra is restored. We also compare the Gaussianization transform to the clipped galaxy density field and find that while both methods are effective in real space, they have more complicated behaviour in redshift space. Overall, we find that Gaussianization can be useful in recovering the shape of the underlying dark-matter power spectrum to k ˜ 0.5 h Mpc-1 and of the initial power spectrum to k ˜ 0.4 h Mpc-1 in certain cases at z = 0.
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The formation of disc galaxies in high-resolution moving-mesh cosmological simulations
NASA Astrophysics Data System (ADS)
Marinacci, Federico; Pakmor, Rüdiger; Springel, Volker
2014-01-01
We present cosmological hydrodynamical simulations of eight Milky Way-sized haloes that have been previously studied with dark matter only in the Aquarius project. For the first time, we employ the moving-mesh code AREPO in zoom simulations combined with a comprehensive model for galaxy formation physics designed for large cosmological simulations. Our simulations form in most of the eight haloes strongly disc-dominated systems with realistic rotation curves, close to exponential surface density profiles, a stellar mass to halo mass ratio that matches expectations from abundance matching techniques, and galaxy sizes and ages consistent with expectations from large galaxy surveys in the local Universe. There is no evidence for any dark matter core formation in our simulations, even so they include repeated baryonic outflows by supernova-driven winds and black hole quasar feedback. For one of our haloes, the object studied in the recent `Aquila' code comparison project, we carried out a resolution study with our techniques, covering a dynamic range of 64 in mass resolution. Without any change in our feedback parameters, the final galaxy properties are reassuringly similar, in contrast to other modelling techniques used in the field that are inherently resolution dependent. This success in producing realistic disc galaxies is reached, in the context of our interstellar medium treatment, without resorting to a high density threshold for star formation, a low star formation efficiency, or early stellar feedback, factors deemed crucial for disc formation by other recent numerical studies.
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NASA Astrophysics Data System (ADS)
Sulangi, Miguel Antonio; Zaanen, Jan
2018-04-01
We explore the effects of various kinds of random disorder on the quasiparticle density of states of two-dimensional d -wave superconductors using an exact real-space method, incorporating realistic details known about the cuprates. Random on-site energy and pointlike unitary impurity models are found to give rise to a vanishing DOS at the Fermi energy for narrow distributions and low concentrations, respectively, and lead to a finite, but suppressed, DOS at unrealistically large levels of disorder. Smooth disorder arising from impurities located away from the copper-oxide planes meanwhile gives rise to a finite DOS at realistic impurity concentrations. For the case of smooth disorder whose average potential is zero, a resonance is found at zero energy for the quasiparticle DOS at large impurity concentrations. We discuss the implications of these results on the computed low-temperature specific heat, the behavior of which we find is strongly affected by the amount of disorder present in the system. We also compute the localization length as a function of disorder strength for various types of disorder and find that intermediate- and high-energy states are quasiextended for low disorder, and that states near the Fermi energy are strongly localized and have a localization length that exhibits an unusual dependence on the amount of disorder. We comment on the origin of disorder in the cuprates and provide constraints on these based on known results from scanning tunneling spectroscopy and specific heat experiments.
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Effects of channel noise on firing coherence of small-world Hodgkin-Huxley neuronal networks
NASA Astrophysics Data System (ADS)
Sun, X. J.; Lei, J. Z.; Perc, M.; Lu, Q. S.; Lv, S. J.
2011-01-01
We investigate the effects of channel noise on firing coherence of Watts-Strogatz small-world networks consisting of biophysically realistic HH neurons having a fraction of blocked voltage-gated sodium and potassium ion channels embedded in their neuronal membranes. The intensity of channel noise is determined by the number of non-blocked ion channels, which depends on the fraction of working ion channels and the membrane patch size with the assumption of homogeneous ion channel density. We find that firing coherence of the neuronal network can be either enhanced or reduced depending on the source of channel noise. As shown in this paper, sodium channel noise reduces firing coherence of neuronal networks; in contrast, potassium channel noise enhances it. Furthermore, compared with potassium channel noise, sodium channel noise plays a dominant role in affecting firing coherence of the neuronal network. Moreover, we declare that the observed phenomena are independent of the rewiring probability.
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Obscuration-dependent Evolution of Active Galactic Nuclei
NASA Astrophysics Data System (ADS)
Buchner, Johannes; Georgakakis, Antonis; Nandra, Kirpal; Brightman, Murray; Menzel, Marie-Luise; Liu, Zhu; Hsu, Li-Ting; Salvato, Mara; Rangel, Cyprian; Aird, James; Merloni, Andrea; Ross, Nicholas
2015-04-01
We aim to constrain the evolution of active galactic nuclei (AGNs) as a function of obscuration using an X-ray-selected sample of ~2000 AGNs from a multi-tiered survey including the CDFS, AEGIS-XD, COSMOS, and XMM-XXL fields. The spectra of individual X-ray sources are analyzed using a Bayesian methodology with a physically realistic model to infer the posterior distribution of the hydrogen column density and intrinsic X-ray luminosity. We develop a novel non-parametric method that allows us to robustly infer the distribution of the AGN population in X-ray luminosity, redshift, and obscuring column density, relying only on minimal smoothness assumptions. Our analysis properly incorporates uncertainties from low count spectra, photometric redshift measurements, association incompleteness, and the limited sample size. We find that obscured AGNs with N H > 1022 cm-2 account for {77}+4-5% of the number density and luminosity density of the accretion supermassive black hole population with L X > 1043 erg s-1, averaged over cosmic time. Compton-thick AGNs account for approximately half the number and luminosity density of the obscured population, and {38}+8-7% of the total. We also find evidence that the evolution is obscuration dependent, with the strongest evolution around N H ≈ 1023 cm-2. We highlight this by measuring the obscured fraction in Compton-thin AGNs, which increases toward z ~ 3, where it is 25% higher than the local value. In contrast, the fraction of Compton-thick AGNs is consistent with being constant at ≈35%, independent of redshift and accretion luminosity. We discuss our findings in the context of existing models and conclude that the observed evolution is, to first order, a side effect of anti-hierarchical growth.
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A unified model of density limit in fusion plasmas
NASA Astrophysics Data System (ADS)
Zanca, P.; Sattin, F.; Escande, D. F.; Pucella, G.; Tudisco, O.
2017-05-01
In this work we identify by analytical and numerical means the conditions for the existence of a magnetic and thermal equilibrium of a cylindrical plasma, in the presence of Ohmic and/or additional power sources, heat conduction and radiation losses by light impurities. The boundary defining the solutions’ space having realistic temperature profile with small edge value takes mathematically the form of a density limit (DL). Compared to previous similar analyses the present work benefits from dealing with a more accurate set of equations. This refinement is elementary, but decisive, since it discloses a tenuous dependence of the DL on the thermal transport for configurations with an applied electric field. Thanks to this property, the DL scaling law is recovered almost identical for two largely different devices such as the ohmic tokamak and the reversed field pinch. In particular, they have in common a Greenwald scaling, linearly depending on the plasma current, quantitatively consistent with experimental results. In the tokamak case the DL dependence on any additional heating approximately follows a 0.5 power law, which is compatible with L-mode experiments. For a purely externally heated configuration, taken as a cylindrical approximation of the stellarator, the DL dependence on transport is found stronger. By adopting suitable transport models, DL takes on a Sudo-like form, in fair agreement with LHD experiments. Overall, the model provides a good zeroth-order quantitative description of the DL, applicable to widely different configurations.
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On the applicability of the Natori formula to realistic multi-layer quantum well III-V FETs
NASA Astrophysics Data System (ADS)
Gili, A.; Xanthakis, J. P.
2017-10-01
We investigated the validity of the Natori formalism for realistic multi-layer quantum well FETs. We show that the assumption of a single layer (the channel) carrying all of the current density is far from reality in the sub-threshold region, where in fact most of the current density resides below the channel. Our analysis is based on comparing results of Natori calculations with experimental ones and on comparing with other first-principles calculations. If the Natori calculations are employed in the subthreshold region then a misleadingly small subthreshold slope would be obtained. We propose a way to remedy this inefficiency of this formulation so that it can be applicable to realistic many-layer devices. In particular we show that if the 1-dimensional quantum well of the Natori method enclosing the electron gas is expanded to include the supply layer-usually below the channel- and a proper ab initio potential is used to obtain its eigenvalues, then the Natori formula regains its validity.
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NASA Astrophysics Data System (ADS)
Torres-Herrera, E. J.; García-García, Antonio M.; Santos, Lea F.
2018-02-01
We study numerically and analytically the quench dynamics of isolated many-body quantum systems. Using full random matrices from the Gaussian orthogonal ensemble, we obtain analytical expressions for the evolution of the survival probability, density imbalance, and out-of-time-ordered correlator. They are compared with numerical results for a one-dimensional-disordered model with two-body interactions and shown to bound the decay rate of this realistic system. Power-law decays are seen at intermediate times, and dips below the infinite time averages (correlation holes) occur at long times for all three quantities when the system exhibits level repulsion. The fact that these features are shared by both the random matrix and the realistic disordered model indicates that they are generic to nonintegrable interacting quantum systems out of equilibrium. Assisted by the random matrix analytical results, we propose expressions that describe extremely well the dynamics of the realistic chaotic system at different time scales.
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Density fluctuations from strings and galaxy formation
NASA Technical Reports Server (NTRS)
Vilenkin, A.; Shafi, Q.
1983-01-01
The spectra of density fluctuations caused by strings in a universe dominated either by baryons, neutrinos, or axions are presented. Realistic scenarios for galaxy formation seem possible in all three cases. Examples of grand unified theories which lead to strings with the desired mass scales are given.
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Kinetic Monte Carlo simulations of scintillation processes in NaI(Tl)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kerisit, Sebastien N.; Wang, Zhiguo; Williams, Richard
2014-04-26
Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this work to simulate the kinetics of scintillation for a range of temperaturesmore » and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.« less
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IR properties of chiral effects in pionic matter
NASA Astrophysics Data System (ADS)
Avdoshkin, A.; Sadofyev, A. V.; Zakharov, V. I.
2018-04-01
Chiral effects exhibit peculiar universality in idealized theoretical limits. However, they are known to be infrared sensitive and get modified in more realistic settings. In this work we study how the corresponding conductivities vary with the constituent mass. We concentrate on a pionic realization of chiral effects which provides a better control over infrared properties of the theory. The pionic medium is considered at finite vector and axial isospin chemical potentials in the presence of an external magnetic field. This system supports electric and axial isospin currents along the magnetic field which correspond to chiral magnetic and chiral separation effects. We show that these currents are sensitive to the finite mass of the constituents but the conductivities follow a simple scaling with the corresponding charge densities as one would expect for polarization effects. It is argued that this relation can capture the dependence of chiral effects on other infrared parameters. Finally, we briefly comment on the realization of the 't Hooft matching condition in pionic media at finite densities.
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NASA Astrophysics Data System (ADS)
Kamibayashi, Yuki; Miura, Shinichi
2016-08-01
In the present study, variational path integral molecular dynamics and associated hybrid Monte Carlo (HMC) methods have been developed on the basis of a fourth order approximation of a density operator. To reveal various parameter dependence of physical quantities, we analytically solve one dimensional harmonic oscillators by the variational path integral; as a byproduct, we obtain the analytical expression of the discretized density matrix using the fourth order approximation for the oscillators. Then, we apply our methods to realistic systems like a water molecule and a para-hydrogen cluster. In the HMC, we adopt two level description to avoid the time consuming Hessian evaluation. For the systems examined in this paper, the HMC method is found to be about three times more efficient than the molecular dynamics method if appropriate HMC parameters are adopted; the advantage of the HMC method is suggested to be more evident for systems described by many body interaction.
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Maximizing the value of pressure data in saline aquifer characterization
NASA Astrophysics Data System (ADS)
Yoon, Seonkyoo; Williams, John R.; Juanes, Ruben; Kang, Peter K.
2017-11-01
The injection and storage of freshwater in saline aquifers for the purpose of managed aquifer recharge is an important technology that can help ensure sustainable water resources. As a result of the density difference between the injected freshwater and ambient saline groundwater, the pressure field is coupled to the spatial salinity distribution, and therefore experiences transient changes. The effect of variable density can be quantified by the mixed convection ratio, which is a ratio between the strength of two convection processes: free convection due to the density differences and forced convection due to hydraulic gradients. We combine a density-dependent flow and transport simulator with an ensemble Kalman filter (EnKF) to analyze the effects of freshwater injection rates on the value-of-information of transient pressure data for saline aquifer characterization. The EnKF is applied to sequentially estimate heterogeneous aquifer permeability fields using real-time pressure data. The performance of the permeability estimation is analyzed in terms of the accuracy and the uncertainty of the estimated permeability fields as well as the predictability of breakthrough curve arrival times in a realistic push-pull setting. This study demonstrates that injecting fluids at a rate that balances the two characteristic convections can maximize the value of pressure data for saline aquifer characterization.
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Nonmonotonic velocity dependence of atomic friction.
Reimann, Peter; Evstigneev, Mykhaylo
2004-12-03
We propose a theoretical model for friction force microscopy experiments with special emphasis on the realistic description of dissipation and inertia effects. Its main prediction is a nonmonotonic dependence of the friction force upon the sliding velocity of the atomic force microscope tip relative to an atomically flat surface. The region around the force maximum can be approximately described by a universal scaling law and should be observable under experimentally realistic conditions.
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Kujala, Tuomo; Mäkelä, Jakke; Kotilainen, Ilkka; Tokkonen, Timo
2016-02-01
We studied the utility of occlusion distance as a function of task-relevant event density in realistic traffic scenarios with self-controlled speed. The visual occlusion technique is an established method for assessing visual demands of driving. However, occlusion time is not a highly informative measure of environmental task-relevant event density in self-paced driving scenarios because it partials out the effects of changes in driving speed. Self-determined occlusion times and distances of 97 drivers with varying backgrounds were analyzed in driving scenarios simulating real Finnish suburban and highway traffic environments with self-determined vehicle speed. Occlusion distances varied systematically with the expected environmental demands of the manipulated driving scenarios whereas the distributions of occlusion times remained more static across the scenarios. Systematic individual differences in the preferred occlusion distances were observed. More experienced drivers achieved better lane-keeping accuracy than inexperienced drivers with similar occlusion distances; however, driving experience was unexpectedly not a major factor for the preferred occlusion distances. Occlusion distance seems to be an informative measure for assessing task-relevant event density in realistic traffic scenarios with self-controlled speed. Occlusion time measures the visual demand of driving as the task-relevant event rate in time intervals, whereas occlusion distance measures the experienced task-relevant event density in distance intervals. The findings can be utilized in context-aware distraction mitigation systems, human-automated vehicle interaction, road speed prediction and design, as well as in the testing of visual in-vehicle tasks for inappropriate in-vehicle glancing behaviors in any dynamic traffic scenario for which appropriate individual occlusion distances can be defined. © 2015, Human Factors and Ergonomics Society.
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NASA Astrophysics Data System (ADS)
Cho, H. E.; Horstemeyer, M. F.; Baumgardner, J. R.
2017-12-01
In this study, we present an internal state variable (ISV) constitutive model developed to model static and dynamic recrystallization and grain size progression in a unified manner. This method accurately captures temperature, pressure and strain rate effect on the recrystallization and grain size. Because this ISV approach treats dislocation density, volume fraction of recrystallization and grain size as internal variables, this model can simultaneously track their history during the deformation with unprecedented realism. Based on this deformation history, this method can capture realistic mechanical properties such as stress-strain behavior in the relationship of microstructure-mechanical property. Also, both the transient grain size during the deformation and the steady-state grain size of dynamic recrystallization can be predicted from the history variable of recrystallization volume fraction. Furthermore, because this model has a capability to simultaneously handle plasticity and creep behaviors (unified creep-plasticity), the mechanisms (static recovery (or diffusion creep), dynamic recovery (or dislocation creep) and hardening) related to dislocation dynamics can also be captured. To model these comprehensive mechanical behaviors, the mathematical formulation of this model includes elasticity to evaluate yield stress, work hardening in treating plasticity, creep, as well as the unified recrystallization and grain size progression. Because pressure sensitivity is especially important for the mantle minerals, we developed a yield function combining Drucker-Prager shear failure and von Mises yield surfaces to model the pressure dependent yield stress, while using pressure dependent work hardening and creep terms. Using these formulations, we calibrated against experimental data of the minerals acquired from the literature. Additionally, we also calibrated experimental data for metals to show the general applicability of our model. Understanding of realistic mantle dynamics can only be acquired once the various deformation regimes and mechanisms are comprehensively modeled. The results of this study demonstrate that this ISV model is a good modeling candidate to help reveal the realistic dynamics of the Earth's mantle.
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NASA Astrophysics Data System (ADS)
Hasslinger, Patricia; Vass, Viktoria; Dejaco, Alexander; Blanchard, Romane; Örlygsson, Gissur; Gargiulo, Paolo; Hellmich, Christian
2016-05-01
Due to its high resolution, micro-CT (Computed Tomograph) scanning is the key to assess bone quality of sham and OVX (ovariectomized) rats. Combination of basic X-ray physics, such as the energy- and chemistry-dependence of attenuation coefficients, with results from ashing tests on rat bones, delivers mineral, organic, and water volume fractions within the voxels. Additional use of a microelastic model for bone provides voxel-specific elastic properties. The new method delivers realistic bone mass densities, and reveals that OVX protocols may indeed induce some bone mass loss, while the average composition of the bone tissue remains largely unaltered.
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A Revised Thermosphere for the Mars Global Reference Atmospheric Model (Mars-GRAM Version 3.4)
NASA Technical Reports Server (NTRS)
Justus, C. G.; Johnson, D. L.; James, B. F.
1996-01-01
This report describes the newly-revised model thermosphere for the Mars Global Reference Atmospheric Model (Mars-GRAM, Version 3.4). It also provides descriptions of other changes made to the program since publication of the programmer's guide for Mars-GRAM Version 3.34. The original Mars-GRAM model thermosphere was based on the global-mean model of Stewart. The revised thermosphere is based largely on parameterizations derived from output data from the three-dimensional Mars Thermospheric Global Circulation Model (MTGCM). The new thermospheric model includes revised dependence on the 10.7 cm solar flux for the global means of exospheric temperature, temperature of the base of the thermosphere, and scale height for the thermospheric temperature variations, as well as revised dependence on orbital position for global mean height of the base of the thermosphere. Other features of the new thermospheric model are: (1) realistic variations of temperature and density with latitude and time of day, (2) more realistic wind magnitudes, based on improved estimates of horizontal pressure gradients, and (3) allowance for user-input adjustments to the model values for mean exospheric temperature and for height and temperature at the base of the thermosphere. Other new features of Mars-GRAM 3.4 include: (1) allowance for user-input values of climatic adjustment factors for temperature profiles from the surface to 75 km, and (2) a revised method for computing the sub-solar longitude position in the 'ORBIT' subroutine.
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NASA Astrophysics Data System (ADS)
Xie, Hang; Jiang, Feng; Tian, Heng; Zheng, Xiao; Kwok, Yanho; Chen, Shuguang; Yam, ChiYung; Yan, YiJing; Chen, Guanhua
2012-07-01
Basing on our hierarchical equations of motion for time-dependent quantum transport [X. Zheng, G. H. Chen, Y. Mo, S. K. Koo, H. Tian, C. Y. Yam, and Y. J. Yan, J. Chem. Phys. 133, 114101 (2010), 10.1063/1.3475566], we develop an efficient and accurate numerical algorithm to solve the Liouville-von-Neumann equation. We solve the real-time evolution of the reduced single-electron density matrix at the tight-binding level. Calculations are carried out to simulate the transient current through a linear chain of atoms, with each represented by a single orbital. The self-energy matrix is expanded in terms of multiple Lorentzian functions, and the Fermi distribution function is evaluated via the Padè spectrum decomposition. This Lorentzian-Padè decomposition scheme is employed to simulate the transient current. With sufficient Lorentzian functions used to fit the self-energy matrices, we show that the lead spectral function and the dynamics response can be treated accurately. Compared to the conventional master equation approaches, our method is much more efficient as the computational time scales cubically with the system size and linearly with the simulation time. As a result, the simulations of the transient currents through systems containing up to one hundred of atoms have been carried out. As density functional theory is also an effective one-particle theory, the Lorentzian-Padè decomposition scheme developed here can be generalized for first-principles simulation of realistic systems.
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Effects of convection electric field on upwelling and escape of ionospheric O(+)
NASA Technical Reports Server (NTRS)
Cladis, J. B.; Chiu, Yam T.; Peterson, William K.
1992-01-01
A Monte Carlo code is used to explore the full effects of the convection electric field on distributions of upflowing O(+) ions from the cusp/cleft ionosphere. Trajectories of individual ions/neutrals are computed as they undergo multiple charge-exchange collisions. In the ion state, the trajectories are computed in realistic models of the magnetic field and the convection, corotation, and ambipolar electric fields. The effects of ion-ion collisions are included, and the trajectories are computed with and without simultaneous stochastic heating perpendicular to the magnetic field by a realistic model of broadband, low frequency waves. In the neutral state, ballistic trajectories in the gravitational field are computed. The initial conditions of the ions, in addition to ambipolar electric field and the number densities and temperatures of O(+), H(+), and electrons as a function of height in the cusp/cleft region were obtained from the results of Gombosi and Killeen (1987), who used a hydrodynamic code to simulate the time-dependent frictional-heating effects in a magnetic tube during its motion though the convection throat. The distribution of the ion fluxes as a function of height are constructed from the case histories.
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Maury, Olivier; Poggiale, Jean-Christophe
2013-05-07
Individual metabolism, predator-prey relationships, and the role of biodiversity are major factors underlying the dynamics of food webs and their response to environmental variability. Despite their crucial, complementary and interacting influences, they are usually not considered simultaneously in current marine ecosystem models. In an attempt to fill this gap and determine if these factors and their interaction are sufficient to allow realistic community structure and dynamics to emerge, we formulate a mathematical model of the size-structured dynamics of marine communities which integrates mechanistically individual, population and community levels. The model represents the transfer of energy generated in both time and size by an infinite number of interacting fish species spanning from very small to very large species. It is based on standard individual level assumptions of the Dynamic Energy Budget theory (DEB) as well as important ecological processes such as opportunistic size-based predation and competition for food. Resting on the inter-specific body-size scaling relationships of the DEB theory, the diversity of life-history traits (i.e. biodiversity) is explicitly integrated. The stationary solutions of the model as well as the transient solutions arising when environmental signals (e.g. variability of primary production and temperature) propagate through the ecosystem are studied using numerical simulations. It is shown that in the absence of density-dependent feedback processes, the model exhibits unstable oscillations. Density-dependent schooling probability and schooling-dependent predatory and disease mortalities are proposed to be important stabilizing factors allowing stationary solutions to be reached. At the community level, the shape and slope of the obtained quasi-linear stationary spectrum matches well with empirical studies. When oscillations of primary production are simulated, the model predicts that the variability propagates along the spectrum in a given frequency-dependent size range before decreasing for larger sizes. At the species level, the simulations show that small and large species dominate the community successively (small species being more abundant at small sizes and large species being more abundant at large sizes) and that the total biomass of a species decreases with its maximal size which again corroborates empirical studies. Our results indicate that the simultaneous consideration of individual growth and reproduction, size-structured trophic interactions, the diversity of life-history traits and a density-dependent stabilizing process allow realistic community structure and dynamics to emerge without any arbitrary prescription. As a logical consequence of our model construction and a basis for future studies, we define the function Φ as the relative contribution of each species to the total biomass of the ecosystem, for any given size. We argue that this function is a measure of the functional role of biodiversity characterizing the impact of the structure of the community (its species composition) on its function (the relative proportions of losses, dissipation and biological work). Copyright © 2013 Elsevier Ltd. All rights reserved.
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Disorder and superfluid density in overdoped cuprate superconductors
NASA Astrophysics Data System (ADS)
Lee-Hone, N. R.; Dodge, J. S.; Broun, D. M.
2017-07-01
We calculate superfluid density for a dirty d -wave superconductor. The effects of impurity scattering are treated within the self-consistent t -matrix approximation, in weak-coupling BCS theory. Working from a realistic tight-binding parametrization of the Fermi surface, we find a superfluid density that is both correlated with Tc and linear in temperature, in good correspondence with recent experiments on overdoped La2 -xSrxCuO4 .
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How do microalgae perceive light in a high-rate pond? Towards more realistic Lagrangian experiments.
Demory, David; Combe, Charlotte; Hartmann, Philipp; Talec, Amélie; Pruvost, Eric; Hamouda, Raouf; Souillé, Fabien; Lamare, Pierre-Olivier; Bristeau, Marie-Odile; Sainte-Marie, Jacques; Rabouille, Sophie; Mairet, Francis; Sciandra, Antoine; Bernard, Olivier
2018-05-01
Hydrodynamics in a high-rate production reactor for microalgae cultivation affects the light history perceived by cells. The interplay between cell movement and medium turbidity leads to a complex light pattern, whose forcing effects on photosynthesis and photoacclimation dynamics are non-trivial. Hydrodynamics of high density algal ponds mixed by a paddle wheel has been studied recently, although the focus has never been on describing its impact on photosynthetic growth efficiency. In this multidisciplinary downscaling study, we first reconstructed single cell trajectories in an open raceway using an original hydrodynamical model offering a powerful discretization of the Navier-Stokes equations tailored to systems with free surfaces. The trajectory of a particular cell was selected and the associated high-frequency light pattern was computed. This light pattern was then experimentally reproduced in an Arduino-driven computer controlled cultivation system with a low density Dunaliella salina culture. The effect on growth and pigment content was recorded for various frequencies of the light pattern, by setting different paddle wheel velocities. Results show that the frequency of this realistic signal plays a decisive role in the dynamics of photosynthesis, thus revealing an unexpected photosynthetic response compared to that recorded under the on/off signals usually used in the literature. Indeed, the light received by a single cell contains signals from low to high frequencies that nonlinearly interact with the photosynthesis process and differentially stimulate the various time scales associated with photoacclimation and energy dissipation. This study highlights the need for experiments with more realistic light stimuli to better understand microalgal growth at high cell densities. An experimental protocol is also proposed, with simple, yet more realistic, step functions for light fluctuations.
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How do microalgae perceive light in a high-rate pond? Towards more realistic Lagrangian experiments
Demory, David; Combe, Charlotte; Hartmann, Philipp; Talec, Amélie; Pruvost, Eric; Hamouda, Raouf; Souillé, Fabien; Lamare, Pierre-Olivier; Bristeau, Marie-Odile; Sainte-Marie, Jacques; Rabouille, Sophie; Mairet, Francis; Sciandra, Antoine
2018-01-01
Hydrodynamics in a high-rate production reactor for microalgae cultivation affects the light history perceived by cells. The interplay between cell movement and medium turbidity leads to a complex light pattern, whose forcing effects on photosynthesis and photoacclimation dynamics are non-trivial. Hydrodynamics of high density algal ponds mixed by a paddle wheel has been studied recently, although the focus has never been on describing its impact on photosynthetic growth efficiency. In this multidisciplinary downscaling study, we first reconstructed single cell trajectories in an open raceway using an original hydrodynamical model offering a powerful discretization of the Navier–Stokes equations tailored to systems with free surfaces. The trajectory of a particular cell was selected and the associated high-frequency light pattern was computed. This light pattern was then experimentally reproduced in an Arduino-driven computer controlled cultivation system with a low density Dunaliella salina culture. The effect on growth and pigment content was recorded for various frequencies of the light pattern, by setting different paddle wheel velocities. Results show that the frequency of this realistic signal plays a decisive role in the dynamics of photosynthesis, thus revealing an unexpected photosynthetic response compared to that recorded under the on/off signals usually used in the literature. Indeed, the light received by a single cell contains signals from low to high frequencies that nonlinearly interact with the photosynthesis process and differentially stimulate the various time scales associated with photoacclimation and energy dissipation. This study highlights the need for experiments with more realistic light stimuli to better understand microalgal growth at high cell densities. An experimental protocol is also proposed, with simple, yet more realistic, step functions for light fluctuations. PMID:29892466
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Vladimirov, Gleb; Hendrickson, Christopher L; Blakney, Greg T; Marshall, Alan G; Heeren, Ron M A; Nikolaev, Eugene N
2012-02-01
Particle-in-Cell (PIC) ion trajectory calculations provide the most realistic simulation of Fourier transform ion cyclotron resonance (FT-ICR) experiments by efficient and accurate calculation of the forces acting on each ion in an ensemble (cloud), including Coulomb interactions (space charge), the electric field of the ICR trap electrodes, image charges on the trap electrodes, the magnetic field, and collisions with neutral gas molecules. It has been shown recently that ion cloud collective behavior is required to generate an FT-ICR signal and that two main phenomena influence mass resolution and dynamic range. The first is formation of an ellipsoidal ion cloud (termed "condensation") at a critical ion number (density), which facilitates signal generation in an FT-ICR cell of arbitrary geometry because the condensed cloud behaves as a quasi-ion. The second phenomenon is peak coalescence. Ion resonances that are closely spaced in m/z coalesce into one resonance if the ion number (density) exceeds a threshold that depends on magnetic field strength, ion cyclotron radius, ion masses and mass difference, and ion initial spatial distribution. These two phenomena decrease dynamic range by rapid cloud dephasing at small ion density and by cloud coalescence at high ion density. Here, we use PIC simulations to quantitate the dependence of coalescence on each critical parameter. Transitions between independent and coalesced motion were observed in a series of the experiments that systematically varied ion number, magnetic field strength, ion radius, ion m/z, ion m/z difference, and ion initial spatial distribution (the present simulations begin from elliptically-shaped ion clouds with constant ion density distribution). Our simulations show that mass resolution is constant at a given magnetic field strength with increasing ion number until a critical value (N) is reached. N dependence on magnetic field strength, cyclotron radius, ion mass, and difference between ion masses was determined for two ion ensembles of different m/z, equal abundance, and equal cyclotron radius. We find that N and dynamic range depend quadratically on magnetic field strength in the range 1-21 Tesla. Dependences on cyclotron radius and Δm/z are linear. N depends on m/z as (m/z)(-2). Empirical expressions for mass resolution as a function of each of the experimental parameters are presented. Here, we provide the first exposition of the origin and extent of trade-off between FT-ICR MS dynamic range and mass resolution (defined not as line width, but as the separation between the most closely resolved masses). © American Society for Mass Spectrometry, 2011
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Radio weak lensing shear measurement in the visibility domain - II. Source extraction
NASA Astrophysics Data System (ADS)
Rivi, M.; Miller, L.
2018-05-01
This paper extends the method introduced in Rivi et al. (2016b) to measure galaxy ellipticities in the visibility domain for radio weak lensing surveys. In that paper, we focused on the development and testing of the method for the simple case of individual galaxies located at the phase centre, and proposed to extend it to the realistic case of many sources in the field of view by isolating visibilities of each source with a faceting technique. In this second paper, we present a detailed algorithm for source extraction in the visibility domain and show its effectiveness as a function of the source number density by running simulations of SKA1-MID observations in the band 950-1150 MHz and comparing original and measured values of galaxies' ellipticities. Shear measurements from a realistic population of 104 galaxies randomly located in a field of view of 1 \\deg ^2 (i.e. the source density expected for the current radio weak lensing survey proposal with SKA1) are also performed. At SNR ≥ 10, the multiplicative bias is only a factor 1.5 worse than what found when analysing individual sources, and is still comparable to the bias values reported for similar measurement methods at optical wavelengths. The additive bias is unchanged from the case of individual sources, but it is significantly larger than typically found in optical surveys. This bias depends on the shape of the uv coverage and we suggest that a uv-plane weighting scheme to produce a more isotropic shape could reduce and control additive bias.
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On the apparent power law in CDM halo pseudo-phase space density profiles
NASA Astrophysics Data System (ADS)
Nadler, Ethan O.; Oh, S. Peng; Ji, Suoqing
2017-09-01
We investigate the apparent power-law scaling of the pseudo-phase space density (PPSD) in cold dark matter (CDM) haloes. We study fluid collapse, using the close analogy between the gas entropy and the PPSD in the fluid approximation. Our hydrodynamic calculations allow for a precise evaluation of logarithmic derivatives. For scale-free initial conditions, entropy is a power law in Lagrangian (mass) coordinates, but not in Eulerian (radial) coordinates. The deviation from a radial power law arises from incomplete hydrostatic equilibrium (HSE), linked to bulk inflow and mass accretion, and the convergence to the asymptotic central power-law slope is very slow. For more realistic collapse, entropy is not a power law with either radius or mass due to deviations from HSE and scale-dependent initial conditions. Instead, it is a slowly rolling power law that appears approximately linear on a log-log plot. Our fluid calculations recover PPSD power-law slopes and residual amplitudes similar to N-body simulations, indicating that deviations from a power law are not numerical artefacts. In addition, we find that realistic collapse is not self-similar; scalelengths such as the shock radius and the turnaround radius are not power-law functions of time. We therefore argue that the apparent power-law PPSD cannot be used to make detailed dynamical inferences or extrapolate halo profiles inwards, and that it does not indicate any hidden integrals of motion. We also suggest that the apparent agreement between the PPSD and the asymptotic Bertschinger slope is purely coincidental.
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NASA Astrophysics Data System (ADS)
Park, DaeKil
2018-06-01
The dynamics of entanglement and uncertainty relation is explored by solving the time-dependent Schrödinger equation for coupled harmonic oscillator system analytically when the angular frequencies and coupling constant are arbitrarily time dependent. We derive the spectral and Schmidt decompositions for vacuum solution. Using the decompositions, we derive the analytical expressions for von Neumann and Rényi entropies. Making use of Wigner distribution function defined in phase space, we derive the time dependence of position-momentum uncertainty relations. To show the dynamics of entanglement and uncertainty relation graphically, we introduce two toy models and one realistic quenched model. While the dynamics can be conjectured by simple consideration in the toy models, the dynamics in the realistic quenched model is somewhat different from that in the toy models. In particular, the dynamics of entanglement exhibits similar pattern to dynamics of uncertainty parameter in the realistic quenched model.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Shaibo, J.; Zhang, Q. Y., E-mail: qyzhang@dlut.edu.cn; Hu, H. C.
2016-08-14
Electric transport coefficients such as carrier type, density, and mobility are the important physical parameters in designing functional devices. In this work, we report the study on the electric transport coefficients of the highly epitaxial LaBaCo{sub 2}O{sub 5 + δ} (LBCO) films, which were discussed as a function of electric conductivity for the first time and compared with the results calculated by the theory for mixed conduction. The mobility in the LBCO films was determined to be ∼0.85 and ∼40 cm{sup 2}/V s for holes and electrons, respectively, and the density of p-type carriers strongly depends on the oxygen deficiency. Solid evidence ismore » presented to demonstrate that the oxygen deficiency cannot make LBCO materials changed from p- to n-type. The n-type conduction observed in experiment is a counterfeit phenomenon caused by the deficiency in Hall measurement, rather than a realistic transition induced by oxygen deficiency. In addition, the temperature-dependent conductivity was discussed using the differential coefficients, which might be useful in the study of the samples with magnetic transition.« less
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NASA Astrophysics Data System (ADS)
Tan, Ngo Hai; Loan, Doan Thi; Khoa, Dao T.; Margueron, Jerome
2016-03-01
A consistent Hartree-Fock study of the equation of state (EOS) of asymmetric nuclear matter at finite temperature has been performed using realistic choices of the effective, density-dependent nucleon-nucleon (NN ) interaction, which were successfully used in different nuclear structure and reaction studies. Given the importance of the nuclear symmetry energy in the neutron star formation, EOSs associated with different behaviors of the symmetry energy were used to study hot asymmetric nuclear matter. The slope of the symmetry energy and nucleon effective mass with increasing baryon density was found to affect the thermal properties of nuclear matter significantly. Different density-dependent NN interactions were further used to study the EOS of hot protoneutron star (PNS) matter of the n p e μ ν composition in β equilibrium. The hydrostatic configurations of PNS in terms of the maximal gravitational mass Mmax and radius, central density, pressure, and temperature at the total entropy per baryon S /A =1 ,2 , and 4 have been determined in both the neutrino-free and neutrino-trapped scenarios. The obtained results show consistently a strong impact of the symmetry energy and nucleon effective mass on thermal properties and composition of hot PNS matter. Mmax values obtained for the (neutrino-free) β -stable PNS at S /A =4 were used to assess time tBH of the collapse of a 40 M⊙ protoneutron progenitor to a black hole, based on a correlation between tBH and Mmax found from the hydrodynamic simulation by Hempel et al. [Astrophys. J. 748, 70 (2012), 10.1088/0004-637X/748/1/70].
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Surface impedance and optimum surface resistance of a superconductor with an imperfect surface
NASA Astrophysics Data System (ADS)
Gurevich, Alex; Kubo, Takayuki
2017-11-01
We calculate a low-frequency surface impedance of a dirty, s -wave superconductor with an imperfect surface incorporating either a thin layer with a reduced pairing constant or a thin, proximity-coupled normal layer. Such structures model realistic surfaces of superconducting materials which can contain oxide layers, absorbed impurities, or nonstoichiometric composition. We solved the Usadel equations self-consistently and obtained spatial distributions of the order parameter and the quasiparticle density of states which then were used to calculate a low-frequency surface resistance Rs(T ) and the magnetic penetration depth λ (T ) as functions of temperature in the limit of local London electrodynamics. It is shown that the imperfect surface in a single-band s -wave superconductor results in a nonexponential temperature dependence of Z (T ) at T ≪Tc which can mimic the behavior of multiband or d -wave superconductors. The imperfect surface and the broadening of the gap peaks in the quasiparticle density of states N (ɛ ) in the bulk give rise to a weakly temperature-dependent residual surface resistance. We show that the surface resistance can be optimized and even reduced below its value for an ideal surface by engineering N (ɛ ) at the surface using pair-breaking mechanisms, particularly by incorporating a small density of magnetic impurities or by tuning the thickness and conductivity of the normal layer and its contact resistance. The results of this work address the limit of Rs in superconductors at T ≪Tc , and the ways of engineering the optimal density of states by surface nanostructuring and impurities to reduce losses in superconducting microresonators, thin-film strip lines, and radio-frequency cavities for particle accelerators.
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Nonlinear Upshift of Trapped Electron Mode Critical Density Gradient: Simulation and Experiment
NASA Astrophysics Data System (ADS)
Ernst, D. R.
2012-10-01
A new nonlinear critical density gradient for pure trapped electron mode (TEM) turbulence increases strongly with collisionality, saturating at several times the linear threshold. The nonlinear TEM threshold appears to limit the density gradient in new experiments subjecting Alcator C-Mod internal transport barriers to modulated radio-frequency heating. Gyrokinetic simulations show the nonlinear upshift of the TEM critical density gradient is associated with long-lived zonal flow dominated states [1]. This introduces a strong temperature dependence that allows external RF heating to control TEM turbulent transport. During pulsed on-axis heating of ITB discharges, core electron temperature modulations of 50% were produced. Bursts of line-integrated density fluctuations, observed on phase contrast imaging, closely follow modulations of core electron temperature inside the ITB foot. Multiple edge fluctuation measurements show the edge response to modulated heating is out of phase with the core response. A new limit cycle stability diagram shows the density gradient appears to be clamped during on-axis heating by the nonlinear TEM critical density gradient, rather than by the much lower linear threshold. Fluctuation wavelength spectra will be quantitatively compared with nonlinear TRINITY/GS2 gyrokinetic transport simulations, using an improved synthetic diagnostic. In related work, we are implementing the first gyrokinetic exact linearized Fokker Planck collision operator [2]. Initial results show short wavelength TEMs are fully stabilized by finite-gyroradius collisional effects for realistic collisionalities. The nonlinear TEM threshold and its collisionality dependence may impact predictions of density peaking based on quasilinear theory, which excludes zonal flows.[4pt] In collaboration with M. Churchill, A. Dominguez, C. L. Fiore, Y. Podpaly, M. L. Reinke, J. Rice, J. L. Terry, N. Tsujii, M. A. Barnes, I. Bespamyatnov, R. Granetz, M. Greenwald, A. Hubbard, J. W. Hughes, M. Landreman, B. Li, Y. Ma, P. Phillips, M. Porkolab, W. Rowan, S. Wolfe, and S. Wukitch.[4pt] [1] D. R. Ernst et al., Proc. 21st IAEA Fusion Energy Conference, Chengdu, China, paper IAEA-CN-149/TH/1-3 (2006). http://www-pub.iaea.org/MTCD/Meetings/FEC200/th1-3.pdf[0pt] [2] B. Li and D.R. Ernst, Phys. Rev. Lett. 106, 195002 (2011).
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NASA Astrophysics Data System (ADS)
Kissinger, Alexander; Noack, Vera; Knopf, Stefan; Konrad, Wilfried; Scheer, Dirk; Class, Holger
2017-06-01
Saltwater intrusion into potential drinking water aquifers due to the injection of CO2 into deep saline aquifers is one of the hazards associated with the geological storage of CO2. Thus, in a site-specific risk assessment, models for predicting the fate of the displaced brine are required. Practical simulation of brine displacement involves decisions regarding the complexity of the model. The choice of an appropriate level of model complexity depends on multiple criteria: the target variable of interest, the relevant physical processes, the computational demand, the availability of data, and the data uncertainty. In this study, we set up a regional-scale geological model for a realistic (but not real) onshore site in the North German Basin with characteristic geological features for that region. A major aim of this work is to identify the relevant parameters controlling saltwater intrusion in a complex structural setting and to test the applicability of different model simplifications. The model that is used to identify relevant parameters fully couples flow in shallow freshwater aquifers and deep saline aquifers. This model also includes variable-density transport of salt and realistically incorporates surface boundary conditions with groundwater recharge. The complexity of this model is then reduced in several steps, by neglecting physical processes (two-phase flow near the injection well, variable-density flow) and by simplifying the complex geometry of the geological model. The results indicate that the initial salt distribution prior to the injection of CO2 is one of the key parameters controlling shallow aquifer salinization. However, determining the initial salt distribution involves large uncertainties in the regional-scale hydrogeological parameterization and requires complex and computationally demanding models (regional-scale variable-density salt transport). In order to evaluate strategies for minimizing leakage into shallow aquifers, other target variables can be considered, such as the volumetric leakage rate into shallow aquifers or the pressure buildup in the injection horizon. Our results show that simplified models, which neglect variable-density salt transport, can reach an acceptable agreement with more complex models.
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Crown development: an index of stand density
John E. Krajicek; Kenneth A. Brinkman
1957-01-01
A study of crown characteristics of several hundred open-grown oak, hickory, and Norway spruce trees in Iowa revealed a high correlation between stem diameter and crown area. Consideration of this relationship led to the idea that perhaps here was a realistic way to measure and evaluate stand density or stocking. If, given unlimited growing space, trees of a certain...
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NASA Astrophysics Data System (ADS)
Gherghel-Lascu, A.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertania, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.
2017-06-01
The charged particle densities obtained from CORSIKA simulated EAS, using the QGSJet-II.04 hadronic interaction model are used for primary energy reconstruction. Simulated data are reconstructed by using Lateral Energy Correction Functions computed with a new realistic model of the Grande stations implemented in Geant4.10.
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Modeling of lithium granule injection in NSTX using M3D-C1
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fil, A.; Kolemen, E.; Ferraro, N.
In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Da-Jiang; Evans, James W.
An accurate description of oxygen dissociation pathways and kinetics for various local adlayer environments is key for an understanding not just of the coverage dependence of oxygen sticking, but also of reactive steady states in oxidation reactions. Density functional theory analysis for M(100) surfaces with M=Pd, Rh, and Ni, where O prefers the fourfold hollow adsorption site, does not support the traditional Brundle-Behm-Barker picture of dissociative adsorption onto second-nearest-neighbor hollow sites with an additional blocking constraint. Rather adsorption via neighboring vicinal bridge sites dominates, although other pathways can be active. The same conclusion also applies for M=Pt and Ir, wheremore » oxygen prefers the bridge adsorption site. Statistical mechanical analysis is performed based on kinetic Monte Carlo simulation of a multisite lattice-gas model consistent with our revised picture of adsorption. This analysis determines the coverage and temperature dependence of sticking for a realistic treatment of the oxygen adlayer structure.« less
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Modeling of lithium granule injection in NSTX using M3D-C1
Fil, A.; Kolemen, E.; Ferraro, N.; ...
2017-04-06
In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less
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Kern, Christoph; Deutschmann, Tim; Werner, Cynthia; Sutton, A. Jeff; Elias, Tamar; Kelly, Peter J.
2012-01-01
Sulfur dioxide (SO2) is monitored using ultraviolet (UV) absorption spectroscopy at numerous volcanoes around the world due to its importance as a measure of volcanic activity and a tracer for other gaseous species. Recent studies have shown that failure to take realistic radiative transfer into account during the spectral retrieval of the collected data often leads to large errors in the calculated emission rates. Here, the framework for a new evaluation method which couples a radiative transfer model to the spectral retrieval is described. In it, absorption spectra are simulated, and atmospheric parameters are iteratively updated in the model until a best match to the measurement data is achieved. The evaluation algorithm is applied to two example Differential Optical Absorption Spectroscopy (DOAS) measurements conducted at Kilauea volcano (Hawaii). The resulting emission rates were 20 and 90% higher than those obtained with a conventional DOAS retrieval performed between 305 and 315 nm, respectively, depending on the different SO2 and aerosol loads present in the volcanic plume. The internal consistency of the method was validated by measuring and modeling SO2 absorption features in a separate wavelength region around 375 nm and comparing the results. Although additional information about the measurement geometry and atmospheric conditions is needed in addition to the acquired spectral data, this method for the first time provides a means of taking realistic three-dimensional radiative transfer into account when analyzing UV-spectral absorption measurements of volcanic SO2 plumes.
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Coarse-grained theory of a realistic tetrahedral liquid model
NASA Astrophysics Data System (ADS)
Procaccia, I.; Regev, I.
2012-02-01
Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids —the Stillinger-Weber model— and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior.
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A model for neutrino emission from nuclear accretion disks
NASA Astrophysics Data System (ADS)
Deaton, Michael
2015-04-01
Compact object mergers involving at least one neutron star can produce short-lived black hole accretion engines. Over tens to hundreds of milliseconds such an engine consumes a disk of hot, nuclear-density fluid, and drives changes to its surrounding environment through luminous emission of neutrinos. The neutrino emission may drive an ultrarelativistic jet, may peel off the disk's outer layers as a wind, may irradiate those winds or other forms of ejecta and thereby change their composition, may change the composition and thermodynamic state of the disk itself, and may oscillate in its flavor content. We present the full spatial-, angular-, and energy-dependence of the neutrino distribution function around a realistic model of a nuclear accretion disk, to inform future explorations of these types of behaviors. Spectral Einstein Code (SpEC).
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Towards Mott design by δ-doping of strongly correlated titanates
NASA Astrophysics Data System (ADS)
Lechermann, Frank; Obermeyer, Michael
2015-04-01
Doping the distorted-perovskite Mott insulators LaTiO3 and GdTiO3 with a single SrO layer along the [001] direction gives rise to a rich correlated electronic structure. A realistic superlattice study by means of the charge self-consistent combination of density functional theory with dynamical mean-field theory reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. An orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO2 layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in δ-doped GdTiO3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers that are coupled antiferromagnetically.
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Agent-based simulation of a financial market
NASA Astrophysics Data System (ADS)
Raberto, Marco; Cincotti, Silvano; Focardi, Sergio M.; Marchesi, Michele
2001-10-01
This paper introduces an agent-based artificial financial market in which heterogeneous agents trade one single asset through a realistic trading mechanism for price formation. Agents are initially endowed with a finite amount of cash and a given finite portfolio of assets. There is no money-creation process; the total available cash is conserved in time. In each period, agents make random buy and sell decisions that are constrained by available resources, subject to clustering, and dependent on the volatility of previous periods. The model proposed herein is able to reproduce the leptokurtic shape of the probability density of log price returns and the clustering of volatility. Implemented using extreme programming and object-oriented technology, the simulator is a flexible computational experimental facility that can find applications in both academic and industrial research projects.
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Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method
NASA Astrophysics Data System (ADS)
Dutra, Matthew; Hinde, Robert
2018-04-01
In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.
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Orlofske, Sarah A; Flaxman, Samuel M; Joseph, Maxwell B; Fenton, Andy; Melbourne, Brett A; Johnson, Pieter T J
2018-05-01
Understanding pathogen transmission is crucial for predicting and managing disease. Nonetheless, experimental comparisons of alternative functional forms of transmission remain rare, and those experiments that are conducted are often not designed to test the full range of possible forms. To differentiate among 10 candidate transmission functions, we used a novel experimental design in which we independently varied four factors-duration of exposure, numbers of parasites, numbers of hosts and parasite density-in laboratory infection experiments. We used interactions between amphibian hosts and trematode parasites as a model system and all candidate models incorporated parasite depletion. An additional manipulation involving anaesthesia addressed the effects of host behaviour on transmission form. Across all experiments, nonlinear transmission forms involving either a power law or a negative binomial function were the best-fitting models and consistently outperformed the linear density-dependent and density-independent functions. By testing previously published data for two other host-macroparasite systems, we also found support for the same nonlinear transmission forms. Although manipulations of parasite density are common in transmission studies, the comprehensive set of variables tested in our experiments revealed that variation in density alone was least likely to differentiate among competing transmission functions. Across host-pathogen systems, nonlinear functions may often more accurately represent transmission dynamics and thus provide more realistic predictions for infection. © 2017 The Authors. Journal of Animal Ecology published by John Wiley & Sons Ltd on behalf of British Ecological Society.
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Packing microstructure and local density variations of experimental and computational pebble beds
DOE Office of Scientific and Technical Information (OSTI.GOV)
Auwerda, G. J.; Kloosterman, J. L.; Lathouwers, D.
2012-07-01
In pebble bed type nuclear reactors the fuel is contained in graphite pebbles, which form a randomly stacked bed with a non-uniform packing density. These variations can influence local coolant flow and power density and are a possible cause of hotspots. To analyse local density variations computational methods are needed that can generate randomly stacked pebble beds with a realistic packing structure on a pebble-to-pebble level. We first compare various properties of the local packing structure of a computed bed with those of an image made using computer aided X-ray tomography, looking at properties in the bulk of the bedmore » and near the wall separately. Especially for the bulk of the bed, properties of the computed bed show good comparison with the scanned bed and with literature, giving confidence our method generates beds with realistic packing microstructure. Results also show the packing structure is different near the wall than in the bulk of the bed, with pebbles near the wall forming ordered layers similar to hexagonal close packing. Next, variations in the local packing density are investigated by comparing probability density functions of the packing fraction of small clusters of pebbles throughout the bed. Especially near the wall large variations in local packing fractions exists, with a higher probability for both clusters of pebbles with low (<0.6) and high (>0.65) packing fraction, which could significantly affect flow rates and, together with higher power densities, could result in hotspots. (authors)« less
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Density-functional energy gaps of solids demystified
NASA Astrophysics Data System (ADS)
Perdew, John P.; Ruzsinszky, Adrienn
2018-06-01
The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?
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Second-principles method for materials simulations including electron and lattice degrees of freedom
NASA Astrophysics Data System (ADS)
García-Fernández, Pablo; Wojdeł, Jacek C.; Íñiguez, Jorge; Junquera, Javier
2016-05-01
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive quantum-mechanical theory—e.g., density functional theory—and its accuracy can be systematically improved at a very modest computational cost. Our approach is based on dividing the electron density of the system into a reference part—typically corresponding to the system's neutral, geometry-dependent ground state—and a deformation part—defined as the difference between the actual and reference densities. We then take advantage of the fact that the bulk part of the system's energy depends on the reference density alone; this part can be efficiently and accurately described by a force field, thus avoiding explicit consideration of the electrons. Then, the effects associated to the difference density can be treated perturbatively with good precision by working in a suitably chosen Wannier function basis. Further, the electronic model can be restricted to the bands of interest. All these features combined yield a very flexible and computationally very efficient scheme. Here we present the basic formulation of this approach, as well as a practical strategy to compute model parameters for realistic materials. We illustrate the accuracy and scope of the proposed method with two case studies, namely, the relative stability of various spin arrangements in NiO (featuring complex magnetic interactions in a strongly-correlated oxide) and the formation of a two-dimensional electron gas at the interface between band insulators LaAlO3 and SrTiO3 (featuring subtle electron-lattice couplings and screening effects). We conclude by discussing ways to overcome the limitations of the present approach (most notably, the assumption of a fixed bonding topology), as well as its many envisioned possibilities and future extensions.
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Trajectories and distribution of interstellar dust grains in the heliosphere
Slavin, Jonathan D.; Frisch, Priscilla C.; Müller, Hans-Reinhard; ...
2012-11-01
The solar wind carves a bubble in the surrounding interstellar medium (ISM) known as the heliosphere. Charged interstellar dust grains (ISDG) encountering the heliosphere may be diverted around the heliopause or penetrate it depending on their charge-to-mass ratio. Here, we present new calculations of trajectories of ISDG in the heliosphere, and the dust density distributions that result. We include up-to-date grain charging calculations using a realistic UV radiation field and full three-dimensional magnetohydrodynamic fluid + kinetic models for the heliosphere. Models with two different (constant) polarities for the solar wind magnetic field (SWMF) are used, with the grain trajectory calculationsmore » done separately for each polarity. Small grains a gr ≲ 0.01 μm are completely excluded from the inner heliosphere. Large grains, a gr ≳ 1.0 μm, pass into the inner solar system and are concentrated near the Sun by its gravity. Trajectories of intermediate size grains depend strongly on the SWMF polarity. When the field has magnetic north pointing to ecliptic north, the field de-focuses the grains resulting in low densities in the inner heliosphere, while for the opposite polarity the dust is focused near the Sun. The ISDG density outside the heliosphere inferred from applying the model results to in situ dust measurements is inconsistent with local ISM depletion data for both SWMF polarities but is bracketed by them. Our result points to the need to include the time variation in the SWMF polarity during grain propagation. This provides valuable insights for interpretation of the in situ dust observations from Ulysses.« less
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Bjorken flow in one-dimensional relativistic magnetohydrodynamics with magnetization
NASA Astrophysics Data System (ADS)
Pu, Shi; Roy, Victor; Rezzolla, Luciano; Rischke, Dirk H.
2016-04-01
We study the one-dimensional, longitudinally boost-invariant motion of an ideal fluid with infinite conductivity in the presence of a transverse magnetic field, i.e., in the ideal transverse magnetohydrodynamical limit. In an extension of our previous work Roy et al., [Phys. Lett. B 750, 45 (2015)], we consider the fluid to have a nonzero magnetization. First, we assume a constant magnetic susceptibility χm and consider an ultrarelativistic ideal gas equation of state. For a paramagnetic fluid (i.e., with χm>0 ), the decay of the energy density slows down since the fluid gains energy from the magnetic field. For a diamagnetic fluid (i.e., with χm<0 ), the energy density decays faster because it feeds energy into the magnetic field. Furthermore, when the magnetic field is taken to be external and to decay in proper time τ with a power law ˜τ-a, two distinct solutions can be found depending on the values of a and χm. Finally, we also solve the ideal magnetohydrodynamical equations for one-dimensional Bjorken flow with a temperature-dependent magnetic susceptibility and a realistic equation of state given by lattice-QCD data. We find that the temperature and energy density decay more slowly because of the nonvanishing magnetization. For values of the magnetic field typical for heavy-ion collisions, this effect is, however, rather small. It is only for magnetic fields about an order of magnitude larger than expected for heavy-ion collisions that the system is substantially reheated and the lifetime of the quark phase might be extended.
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Pirozzi, Enrica
2018-04-01
High variability in the neuronal response to stimulations and the adaptation phenomenon cannot be explained by the standard stochastic leaky integrate-and-fire model. The main reason is that the uncorrelated inputs involved in the model are not realistic. There exists some form of dependency between the inputs, and it can be interpreted as memory effects. In order to include these physiological features in the standard model, we reconsider it with time-dependent coefficients and correlated inputs. Due to its hard mathematical tractability, we perform simulations of it for a wide investigation of its output. A Gauss-Markov process is constructed for approximating its non-Markovian dynamics. The first passage time probability density of such a process can be numerically evaluated, and it can be used to fit the histograms of simulated firing times. Some estimates of the moments of firing times are also provided. The effect of the correlation time of the inputs on firing densities and on firing rates is shown. An exponential probability density of the first firing time is estimated for low values of input current and high values of correlation time. For comparison, a simulation-based investigation is also carried out for a fractional stochastic model that allows to preserve the memory of the time evolution of the neuronal membrane potential. In this case, the memory parameter that affects the firing activity is the fractional derivative order. In both models an adaptation level of spike frequency is attained, even if along different modalities. Comparisons and discussion of the obtained results are provided.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Penfold, S; Miller, A
2015-06-15
Purpose: Stoichiometric calibration of Hounsfield Units (HUs) for conversion to proton relative stopping powers (RStPs) is vital for accurate dose calculation in proton therapy. However proton dose distributions are not only dependent on RStP, but also on relative scattering power (RScP) of patient tissues. RScP is approximated from material density but a stoichiometric calibration of HU-density tables is commonly neglected. The purpose of this work was to quantify the difference in calculated dose of a commercial TPS when using HU-density tables based on tissue substitute materials and stoichiometric calibrated ICRU tissues. Methods: Two HU-density calibration tables were generated based onmore » scans of the CIRS electron density phantom. The first table was based directly on measured HU and manufacturer quoted density of tissue substitute materials. The second was based on the same CT scan of the CIRS phantom followed by a stoichiometric calibration of ICRU44 tissue materials. The research version of Pinnacle{sup 3} proton therapy was used to compute dose in a patient CT data set utilizing both HU-density tables. Results: The two HU-density tables showed significant differences for bone tissues; the difference increasing with increasing HU. Differences in density calibration table translated to a difference in calculated RScP of −2.5% for ICRU skeletal muscle and 9.2% for ICRU femur. Dose-volume histogram analysis of a parallel opposed proton therapy prostate plan showed that the difference in calculated dose was negligible when using the two different HU-density calibration tables. Conclusion: The impact of HU-density calibration technique on proton therapy dose calculation was assessed. While differences were found in the calculated RScP of bony tissues, the difference in dose distribution for realistic treatment scenarios was found to be insignificant.« less
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Ma, Songling; Hwang, Sungbo; Lee, Sehan; Acree, William E; No, Kyoung Tai
2018-04-23
To describe the physically realistic solvation free energy surface of a molecule in a solvent, a generalized version of the solvation free energy density (G-SFED) calculation method has been developed. In the G-SFED model, the contribution from the hydrogen bond (HB) between a solute and a solvent to the solvation free energy was calculated as the product of the acidity of the donor and the basicity of the acceptor of an HB pair. The acidity and basicity parameters of a solute were derived using the summation of acidities and basicities of the respective acidic and basic functional groups of the solute, and that of the solvent was experimentally determined. Although the contribution of HBs to the solvation free energy could be evenly distributed to grid points on the surface of a molecule, the G-SFED model was still inadequate to describe the angle dependency of the HB of a solute with a polarizable continuum solvent. To overcome this shortcoming of the G-SFED model, the contribution of HBs was formulated using the geometric parameters of the grid points described in the HB coordinate system of the solute. We propose an HB angle dependency incorporated into the G-SFED model, i.e., the G-SFED-HB model, where the angular-dependent acidity and basicity densities are defined and parametrized with experimental data. The G-SFED-HB model was then applied to calculate the solvation free energies of organic molecules in water, various alcohols and ethers, and the log P values of diverse organic molecules, including peptides and a protein. Both the G-SFED model and the G-SFED-HB model reproduced the experimental solvation free energies with similar accuracy, whereas the distributions of the SFED on the molecular surface calculated by the G-SFED and G-SFED-HB models were quite different, especially for molecules having HB donors or acceptors. Since the angle dependency of HBs was included in the G-SFED-HB model, the SFED distribution of the G-SFED-HB model is well described as compared to that of the G-SFED model.
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Junwei Ma; Han Yuan; Sunderam, Sridhar; Besio, Walter; Lei Ding
2017-07-01
Neural activity inside the human brain generate electrical signals that can be detected on the scalp. Electroencephalograph (EEG) is one of the most widely utilized techniques helping physicians and researchers to diagnose and understand various brain diseases. Due to its nature, EEG signals have very high temporal resolution but poor spatial resolution. To achieve higher spatial resolution, a novel tri-polar concentric ring electrode (TCRE) has been developed to directly measure Surface Laplacian (SL). The objective of the present study is to accurately calculate SL for TCRE based on a realistic geometry head model. A locally dense mesh was proposed to represent the head surface, where the local dense parts were to match the small structural components in TCRE. Other areas without dense mesh were used for the purpose of reducing computational load. We conducted computer simulations to evaluate the performance of the proposed mesh and evaluated possible numerical errors as compared with a low-density model. Finally, with achieved accuracy, we presented the computed forward lead field of SL for TCRE for the first time in a realistic geometry head model and demonstrated that it has better spatial resolution than computed SL from classic EEG recordings.
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IR properties of chiral effects in pionic matter
DOE Office of Scientific and Technical Information (OSTI.GOV)
Avdoshkin, A.; Sadofyev, A. V.; Zakharov, V. I.
Chiral effects exhibit peculiar universality in idealized theoretical limits. However, they are known to be infrared sensitive and get modified in more realistic settings. In this work we study how the corresponding conductivities vary with the constituent mass. We concentrate on a pionic realization of chiral effects which provides a better control over infrared properties of the theory. The pionic medium is considered at finite vector and axial isospin chemical potentials in the presence of an external magnetic field. This system supports electric and axial isospin currents along the magnetic field which correspond to chiral magnetic and chiral separation effects.more » We show that these currents are sensitive to the finite mass of the constituents but the conductivities follow a simple scaling with the corresponding charge densities as one would expect for polarization effects. It is argued that this relation can capture the dependence of chiral effects on other infrared parameters. Finally, we briefly comment on the realization of the ’t Hooft matching condition in pionic media at finite densities.« less
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On the best bandstructure for thermoelectric performance: A Landauer perspective
NASA Astrophysics Data System (ADS)
Jeong, Changwook; Kim, Raseong; Lundstrom, Mark S.
2012-06-01
The question of what bandstructure produces the best thermoelectric device performance is revisited from a Landauer perspective. We find that a delta-function transport distribution function (TDF) results in operation at the Mahan-Sofo upper limit for the thermoelectric figure-of-merit, ZT. We show, however, the Mahan-Sofo upper limit itself depends on the bandwidth (BW) of the dispersion, and therefore, a finite BW dispersion produces a higher ZT when the lattice thermal conductivity is finite. Including a realistic model for scattering profoundly changes the results. Instead of a narrow band, we find that a broad BW is best. The prospects of increasing ZT through high valley degeneracy or by distorting the density-of-states are discussed from a Landauer perspective. We conclude that while there is no simple answer to the question of what bandstructure produces the best thermoelectric performance, the important considerations can be expressed in terms of three parameters derived from the bandstructure—the density-of-states, D(E ), the number of channels, M(E ), and the mean-free-path, λ(E ).
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IR properties of chiral effects in pionic matter
Avdoshkin, A.; Sadofyev, A. V.; Zakharov, V. I.
2018-04-27
Chiral effects exhibit peculiar universality in idealized theoretical limits. However, they are known to be infrared sensitive and get modified in more realistic settings. In this work we study how the corresponding conductivities vary with the constituent mass. We concentrate on a pionic realization of chiral effects which provides a better control over infrared properties of the theory. The pionic medium is considered at finite vector and axial isospin chemical potentials in the presence of an external magnetic field. This system supports electric and axial isospin currents along the magnetic field which correspond to chiral magnetic and chiral separation effects.more » We show that these currents are sensitive to the finite mass of the constituents but the conductivities follow a simple scaling with the corresponding charge densities as one would expect for polarization effects. It is argued that this relation can capture the dependence of chiral effects on other infrared parameters. Finally, we briefly comment on the realization of the ’t Hooft matching condition in pionic media at finite densities.« less
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AGN neutrino flux estimates for a realistic hybrid model
NASA Astrophysics Data System (ADS)
Richter, S.; Spanier, F.
2018-07-01
Recent reports of possible correlations between high energy neutrinos observed by IceCube and Active Galactic Nuclei (AGN) activity sparked a burst of publications that attempt to predict the neutrino flux of these sources. However, often rather crude estimates are used to derive the neutrino rate from the observed photon spectra. In this work neutrino fluxes were computed in a wide parameter space. The starting point of the model was a representation of the full spectral energy density (SED) of 3C 279. The time-dependent hybrid model that was used for this study takes into account the full pγ reaction chain as well as proton synchrotron, electron-positron-pair cascades and the full SSC scheme. We compare our results to estimates frequently used in the literature. This allows to identify regions in the parameter space for which such estimates are still valid and those in which they can produce significant errors. Furthermore, if estimates for the Doppler factor, magnetic field, proton and electron densities of a source exist, the expected IceCube detection rate is readily available.
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Microtearing turbulence: Magnetic braiding and disruption limit
DOE Office of Scientific and Technical Information (OSTI.GOV)
Firpo, Marie-Christine
2015-12-15
A realistic reduced model involving a large poloidal spectrum of microtearing modes is used to probe the existence of some stochasticity of magnetic field lines. Stochasticity is shown to occur even for the low values of the magnetic perturbation δB/B devoted to magnetic turbulence that have been experimentally measured. Because the diffusion coefficient may strongly depend on the radial (or magnetic-flux) coordinate, being very low near some resonant surfaces, and because its evaluation implicitly makes a normal diffusion hypothesis, one turns to another indicator appropriate to diagnose the confinement: the mean residence time of magnetic field lines. Their computation inmore » the microturbulence frame points to the existence of a disruption limit, namely of a critical order of magnitude of δB/B above which stochasticity is no longer benign yet, leads to a macroscopic loss of confinement in some tens to hundred of electron toroidal excursions. Since the level of magnetic turbulence δB/B has been measured to grow with the plasma electron density, this would also be a density limit.« less
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Moldable cork ablation material
NASA Technical Reports Server (NTRS)
1977-01-01
A successful thermal ablative material was manufactured. Moldable cork sheets were tested for density, tensile strength, tensile elongation, thermal conductivity, compression set, and specific heat. A moldable cork sheet, therefore, was established as a realistic product.
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NASA Astrophysics Data System (ADS)
Anderson, Lauren; Governato, F.; Karcher, M.; Quinn, T.; Wadsley, J.
2017-07-01
The sources that reionized the universe are still unknown, but likely candidates are faint but numerous galaxies. In this paper, we present results from running a high-resolution, uniform volume simulation, the Vulcan, to predict the number densities of undetectable, faint galaxies and their escape fractions of ionizing radiation, fesc, during reionization. Our approach combines a high spatial resolution, a realistic treatment of feedback and hydroprocesses, a strict threshold for minimum number of resolution elements per galaxy, and a converged measurement of fesc. We calibrate our physical model using a novel approach to create realistic galaxies at z = 0, so the simulation is predictive at high redshifts. With this approach, we can (1) robustly predict the evolution of the galaxy UV luminosity function at faint magnitudes down to MUV ˜ -15, two magnitudes fainter than observations, and (2) estimate fesc over a large range of galaxy masses based on the detailed stellar and gas distributions in resolved galaxies. We find steep faint end slopes, implying high number densities of faint galaxies, and the dependence of fesc on the UV magnitude of a galaxy, given by the power law: log fesc = (0.51 ± 0.04)MUV + 7.3 ± 0.8, with the faint population having fesc ˜ 35 per cent. Convolving the UV luminosity function with fesc(MUV), we find an ionizing emissivity that is (1) dominated by the faintest galaxies and (2) reionizes the universe at the appropriate rate, consistent with observational constraints of the ionizing emissivity and the optical depth to the decoupling surface τes, without the need for additional sources of ionizing radiation.
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A modified social force model for crowd dynamics
NASA Astrophysics Data System (ADS)
Hassan, Ummi Nurmasyitah; Zainuddin, Zarita; Abu-Sulyman, Ibtesam M.
2017-08-01
The Social Force Model (SFM) is one of the most successful models in microscopic pedestrian studies that is used to study the movement of pedestrians. Many modifications have been done to improvise the SFM by earlier researchers such as the incorporation of a constant respect factor into the self-stopping mechanism. Before the new mechanism is introduced, the researchers found out that a pedestrian will immediately come to a halt if other pedestrians are near to him, which seems to be an unrealistic behavior. Therefore, researchers introduce a self-slowing mechanism to gradually stop a pedestrian when he is approaching other pedestrians. Subsequently, the dynamic respect factor is introduced into the self-slowing mechanism based on the density of the pedestrians to make the model even more realistic. In real life situations, the respect factor of the pedestrians should be dynamic values instead of a constant value. However, when we reproduce the simulation of the dynamic respect factor, we found that the movement of the pedestrians are unrealistic because the pedestrians are lacking perception of the pedestrians in front of him. In this paper, we adopted both dynamic respect factor and dynamic angular parameter, called modified dynamic respect factor, which is dependent on the density of the pedestrians. Simulations are performed in a normal unidirectional walkway to compare the simulated pedestrians' movements produced by both models. The results obtained showed that the modified dynamic respect factor produces more realistic movement of the pedestrians which conform to the real situation. Moreover, we also found that the simulations endow the pedestrian with a self-slowing mechanism and a perception of other pedestrians in front of him.
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High density electronic circuit and process for making
Morgan, William P.
1999-01-01
High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing.
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NASA Technical Reports Server (NTRS)
Flesia, C.; Schwendimann, P.
1992-01-01
The contribution of the multiple scattering to the lidar signal is dependent on the optical depth tau. Therefore, the radar analysis, based on the assumption that the multiple scattering can be neglected is limited to cases characterized by low values of the optical depth (tau less than or equal to 0.1) and hence it exclude scattering from most clouds. Moreover, all inversion methods relating lidar signal to number densities and particle size must be modified since the multiple scattering affects the direct analysis. The essential requests of a realistic model for lidar measurements which include the multiple scattering and which can be applied to practical situations follow. (1) Requested are not only a correction term or a rough approximation describing results of a certain experiment, but a general theory of multiple scattering tying together the relevant physical parameter we seek to measure. (2) An analytical generalization of the lidar equation which can be applied in the case of a realistic aerosol is requested. A pure analytical formulation is important in order to avoid the convergency and stability problems which, in the case of numerical approach, are due to the large number of events that have to be taken into account in the presence of large depth and/or a strong experimental noise.
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Plasma Radiation and Acceleration Effectiveness of CME-driven Shocks
NASA Astrophysics Data System (ADS)
Gopalswamy, N.; Schmidt, J. M.
2008-05-01
CME-driven shocks are effective radio radiation generators and accelerators for Solar Energetic Particles (SEPs). We present simulated 3 D time-dependent radio maps of second order plasma radiation generated by CME- driven shocks. The CME with its shock is simulated with the 3 D BATS-R-US CME model developed at the University of Michigan. The radiation is simulated using a kinetic plasma model that includes shock drift acceleration of electrons and stochastic growth theory of Langmuir waves. We find that in a realistic 3 D environment of magnetic field and solar wind outflow of the Sun the CME-driven shock shows a detailed spatial structure of the density, which is responsible for the fine structure of type II radio bursts. We also show realistic 3 D reconstructions of the magnetic cloud field of the CME, which is accelerated outward by magnetic buoyancy forces in the diverging magnetic field of the Sun. The CME-driven shock is reconstructed by tomography using the maximum jump in the gradient of the entropy. In the vicinity of the shock we determine the Alfven speed of the plasma. This speed profile controls how steep the shock can grow and how stable the shock remains while propagating away from the Sun. Only a steep shock can provide for an effective particle acceleration.
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Plasma radiation and acceleration effectiveness of CME-driven shocks
NASA Astrophysics Data System (ADS)
Schmidt, Joachim
CME-driven shocks are effective radio radiation generators and accelerators for Solar Energetic Particles (SEPs). We present simulated 3 D time-dependent radio maps of second order plasma radiation generated by CME-driven shocks. The CME with its shock is simulated with the 3 D BATS-R-US CME model developed at the University of Michigan. The radiation is simulated using a kinetic plasma model that includes shock drift acceleration of electrons and stochastic growth theory of Langmuir waves. We find that in a realistic 3 D environment of magnetic field and solar wind outflow of the Sun the CME-driven shock shows a detailed spatial structure of the density, which is responsible for the fine structure of type II radio bursts. We also show realistic 3 D reconstructions of the magnetic cloud field of the CME, which is accelerated outward by magnetic buoyancy forces in the diverging magnetic field of the Sun. The CME-driven shock is reconstructed by tomography using the maximum jump in the gradient of the entropy. In the vicinity of the shock we determine the Alfven speed of the plasma. This speed profile controls how steep the shock can grow and how stable the shock remains while propagating away from the Sun. Only a steep shock can provide for an effective particle acceleration.
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Formation of Plasma Around a Small Meteoroid: Simulation and Theory
NASA Astrophysics Data System (ADS)
Sugar, G.; Oppenheim, M. M.; Dimant, Y. S.; Close, S.
2018-05-01
High-power large-aperture radars detect meteors by reflecting radio waves off dense plasma that surrounds a hypersonic meteoroid as it ablates in the Earth's atmosphere. If the plasma density profile around the meteoroid is known, the plasma's radar cross section can be used to estimate meteoroid properties such as mass, density, and composition. This paper presents head echo plasma density distributions obtained via two numerical simulations of a small ablating meteoroid and compares the results to an analytical solution found in Dimant and Oppenheim (2017a, https://doi.org/10.1002/2017JA023960, 2017b, https://doi.org/10.1002/2017JA023963). The first simulation allows ablated meteoroid particles to experience only a single collision to match an assumption in the analytical solution, while the second is a more realistic simulation by allowing multiple collisions. The simulation and analytical results exhibit similar plasma density distributions. At distances much less than λT, the average distance an ablated particle travels from the meteoroid before a collision with an atmospheric particle, the plasma density falls off as 1/R, where R is the distance from the meteoroid center. At distances substantially greater than λT, the plasma density profile has an angular dependence, falling off as 1/R2 directly behind the meteoroid, 1/R3 in a plane perpendicular to the meteoroid's path that contains the meteoroid center, and exp[-1.5(R/λT2/3)]/R in front of the meteoroid. When used for calculating meteoroid masses, this new plasma density model can give masses that are orders of magnitude different than masses calculated from a spherically symmetric Gaussian distribution, which has been used to calculate masses in the past.
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Lerner, Edan; Bouchbinder, Eran
2017-08-01
Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"-the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ω^{β} with β depending on the parent temperature T_{0} from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β≈3, whereas β appears to approach the previously observed value β=4 as T_{0} approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale-including all physically realistic quenching rates of molecular or atomistic glasses-would result in a glass whose density of vibrational modes is universally characterized by β=4.
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Effect of instantaneous and continuous quenches on the density of vibrational modes in model glasses
NASA Astrophysics Data System (ADS)
Lerner, Edan; Bouchbinder, Eran
2017-08-01
Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"—the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ωβ with β depending on the parent temperature T0 from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β ≈3 , whereas β appears to approach the previously observed value β =4 as T0 approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale—including all physically realistic quenching rates of molecular or atomistic glasses—would result in a glass whose density of vibrational modes is universally characterized by β =4 .
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Cosmological constraints from multiple tracers in spectroscopic surveys
NASA Astrophysics Data System (ADS)
Alarcon, Alex; Eriksen, Martin; Gaztanaga, Enrique
2018-01-01
We use the Fisher matrix formalism to study the expansion and growth history of the Universe using galaxy clustering with 2D angular cross-correlation tomography in spectroscopic or high-resolution photometric redshift surveys. The radial information is contained in the cross-correlations between narrow redshift bins. We show how multiple tracers with redshift space distortions cancel sample variance and arbitrarily improve the constraints on the dark energy equation of state ω(z) and the growth parameter γ in the noiseless limit. The improvement for multiple tracers quickly increases with the bias difference between the tracers, up to a factor ∼4 in FoMγω. We model a magnitude limited survey with realistic density and bias using a conditional luminosity function, finding a factor 1.3-9.0 improvement in FoMγω - depending on global density - with a split in a halo mass proxy. Partly overlapping redshift bins improve the constraints in multiple tracer surveys a factor ∼1.3 in FoMγω. This finding also applies to photometric surveys, where the effect of using multiple tracers is magnified. We also show large improvement on the FoM with increasing density, which could be used as a trade-off to compensate some possible loss with radial resolution.
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Population of 224 realistic human subject-based computational breast phantoms
DOE Office of Scientific and Technical Information (OSTI.GOV)
Erickson, David W.; Wells, Jered R., E-mail: jered.wells@duke.edu; Sturgeon, Gregory M.
Purpose: To create a database of highly realistic and anatomically variable 3D virtual breast phantoms based on dedicated breast computed tomography (bCT) data. Methods: A tissue classification and segmentation algorithm was used to create realistic and detailed 3D computational breast phantoms based on 230 + dedicated bCT datasets from normal human subjects. The breast volume was identified using a coarse three-class fuzzy C-means segmentation algorithm which accounted for and removed motion blur at the breast periphery. Noise in the bCT data was reduced through application of a postreconstruction 3D bilateral filter. A 3D adipose nonuniformity (bias field) correction was thenmore » applied followed by glandular segmentation using a 3D bias-corrected fuzzy C-means algorithm. Multiple tissue classes were defined including skin, adipose, and several fractional glandular densities. Following segmentation, a skin mask was produced which preserved the interdigitated skin, adipose, and glandular boundaries of the skin interior. Finally, surface modeling was used to produce digital phantoms with methods complementary to the XCAT suite of digital human phantoms. Results: After rejecting some datasets due to artifacts, 224 virtual breast phantoms were created which emulate the complex breast parenchyma of actual human subjects. The volume breast density (with skin) ranged from 5.5% to 66.3% with a mean value of 25.3% ± 13.2%. Breast volumes ranged from 25.0 to 2099.6 ml with a mean value of 716.3 ± 386.5 ml. Three breast phantoms were selected for imaging with digital compression (using finite element modeling) and simple ray-tracing, and the results show promise in their potential to produce realistic simulated mammograms. Conclusions: This work provides a new population of 224 breast phantoms based on in vivo bCT data for imaging research. Compared to previous studies based on only a few prototype cases, this dataset provides a rich source of new cases spanning a wide range of breast types, volumes, densities, and parenchymal patterns.« less
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Population of 224 realistic human subject-based computational breast phantoms
Erickson, David W.; Wells, Jered R.; Sturgeon, Gregory M.; Dobbins, James T.; Segars, W. Paul; Lo, Joseph Y.
2016-01-01
Purpose: To create a database of highly realistic and anatomically variable 3D virtual breast phantoms based on dedicated breast computed tomography (bCT) data. Methods: A tissue classification and segmentation algorithm was used to create realistic and detailed 3D computational breast phantoms based on 230 + dedicated bCT datasets from normal human subjects. The breast volume was identified using a coarse three-class fuzzy C-means segmentation algorithm which accounted for and removed motion blur at the breast periphery. Noise in the bCT data was reduced through application of a postreconstruction 3D bilateral filter. A 3D adipose nonuniformity (bias field) correction was then applied followed by glandular segmentation using a 3D bias-corrected fuzzy C-means algorithm. Multiple tissue classes were defined including skin, adipose, and several fractional glandular densities. Following segmentation, a skin mask was produced which preserved the interdigitated skin, adipose, and glandular boundaries of the skin interior. Finally, surface modeling was used to produce digital phantoms with methods complementary to the XCAT suite of digital human phantoms. Results: After rejecting some datasets due to artifacts, 224 virtual breast phantoms were created which emulate the complex breast parenchyma of actual human subjects. The volume breast density (with skin) ranged from 5.5% to 66.3% with a mean value of 25.3% ± 13.2%. Breast volumes ranged from 25.0 to 2099.6 ml with a mean value of 716.3 ± 386.5 ml. Three breast phantoms were selected for imaging with digital compression (using finite element modeling) and simple ray-tracing, and the results show promise in their potential to produce realistic simulated mammograms. Conclusions: This work provides a new population of 224 breast phantoms based on in vivo bCT data for imaging research. Compared to previous studies based on only a few prototype cases, this dataset provides a rich source of new cases spanning a wide range of breast types, volumes, densities, and parenchymal patterns. PMID:26745896
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Electronic properties of one-dimensional nanostructures of the Bi2Se3 topological insulator
NASA Astrophysics Data System (ADS)
Virk, Naunidh; Autès, Gabriel; Yazyev, Oleg V.
2018-04-01
We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi2Se3 . Realistic models of experimentally observed Bi2Se3 nanowires and nanoribbons are considered using the tight-binding method. At low energies, the band structures are composed of a series of evenly spaced degenerate subbands resulting from circumferential confinement of the topological surface states. The direct band gaps due to the nontrivial π Berry phase show a clear dependence on the circumference. The spin-momentum locking of the topological surface states results in a pronounced 2 π spin rotation around the circumference with the degree of spin polarization dependent on the momentum along the nanostructure. Overall, the band structures and spin textures are more complicated for nanoribbons, which expose two distinct facets. The effects of reduced dimensionality are rationalized with the help of a simple model that considers circumferential quantization of the topological surface states. Furthermore, the surface spin density induced by an electric current along the nanostructure shows a pronounced oscillatory dependence on the charge-carrier energy, which can be exploited in spintronics applications.
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Fa, John E.; Sharples, Colin M.; Bell, Diana J.; DeAngelis, Donald L.
2001-01-01
We developed an individual-based model of Rabbit Viral Hemorrhagic Disease (RVHD) for European wild rabbits (Oryctolagus cuniculus L.), representing up to 1000 rabbits in four hectares. Model output for productivity and recruitment matched published values. The disease was density-dependent and virulence affected outcome. Strains that caused death after several days produced greater overall mortality than strains in which rabbits either died or recovered very quickly. Disease effect also depended on time of year. We also elaborated a larger scale model representing 25 km2 and 100,000+ rabbits, split into a number of grid-squares. This was a more traditional model that did not represent individual rabbits, but employed a system of dynamic equations for each grid-square. Disease spread depended on probability of transmission between neighboring grid-squares. Potential recovery from a major population crash caused by the disease relied on disease virulence and frequency of recurrence. The model's dependence on probability of disease transmission between grid-squares suggests the way that the model represents the spatial distribution of the population affects simulation. Although data on RVHD in Europe are lacking, our models provide a basis for describing the disease in realistic detail and for assessing influence of various social and spatial factors on spread.
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Mahfouz, Zaher; Verloock, Leen; Joseph, Wout; Tanghe, Emmeric; Gati, Azeddine; Wiart, Joe; Lautru, David; Hanna, Victor Fouad; Martens, Luc
2013-12-01
The influence of temporal daily exposure to global system for mobile communications (GSM) and universal mobile telecommunications systems and high speed downlink packet access (UMTS-HSDPA) is investigated using spectrum analyser measurements in two countries, France and Belgium. Temporal variations and traffic distributions are investigated. Three different methods to estimate maximal electric-field exposure are compared. The maximal realistic (99 %) and the maximal theoretical extrapolation factor used to extrapolate the measured broadcast control channel (BCCH) for GSM and the common pilot channel (CPICH) for UMTS are presented and compared for the first time in the two countries. Similar conclusions are found in the two countries for both urban and rural areas: worst-case exposure assessment overestimates realistic maximal exposure up to 5.7 dB for the considered example. In France, the values are the highest, because of the higher population density. The results for the maximal realistic extrapolation factor at the weekdays are similar to those from weekend days.
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Confirmation of saturation equilibrium conditions in crater populations
NASA Technical Reports Server (NTRS)
Hartmann, William K.; Gaskell, Robert W.
1993-01-01
We have continued work on realistic numerical models of cratered surfaces, as first reported at last year's LPSC. We confirm the saturation equilibrium level with a new, independent test. One of us has developed a realistic computer simulation of a cratered surface. The model starts with a smooth surface or fractal topography, and adds primary craters according to the cumulative power law with exponent -1.83, as observed on lunar maria and Martian plains. Each crater has an ejecta blanket with the volume of the crater, feathering out to a distance of 4 crater radii. We use the model to test the levels of saturation equilibrium reached in naturally occurring systems, by increasing crater density and observing its dependence on various parameters. In particular, we have tested to see if these artificial systems reach the level found by Hartmann on heavily cratered planetary surfaces, hypothesized to be the natural saturation equilibrium level. This year's work gives the first results of a crater population that includes secondaries. Our model 'Gaskell-4' (September, 1992) includes primaries as described above, but also includes a secondary population, defined by exponent -4. We allowed the largest secondary from each primary to be 0.10 times the size of the primary. These parameters will be changed to test their effects in future models. The model gives realistic images of a cratered surface although it appears richer in secondaries than real surfaces are. The effect of running the model toward saturation gives interesting results for the diameter distribution. Our most heavily cratered surface had the input number of primary craters reach about 0.65 times the hypothesized saturation equilibrium, but the input number rises to more than 100 times that level for secondaries below 1.4 km in size.
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Analysis of random signal combinations for spacecraft pointing stability
NASA Technical Reports Server (NTRS)
Howell, L.
1983-01-01
Methods for obtaining the probability density function of random signal combustions are discussed. These methods provide a realistic criteria for the design of control systems subjected to external noise with several important applications for aerospace problems.
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NASA Astrophysics Data System (ADS)
Shihab, Mohammed
2018-06-01
The discharge dynamics in geometrically asymmetric capacitively coupled plasmas are investigated via a lumped model circuit. A realistic reactor configuration is assumed. A single and two separate RF voltage sources are considered. One of the driven frequencies (the higher frequency) has been adjusted to excite a plasma series resonance, while the second frequency (the lower frequency) is in the range of the ion plasma frequency. Increasing the plasma pressure in the low pressure regime (≤ 100mTorr) is found to diminish the amplitude of the self-excited harmonics of the discharge current, however, the net result is enhancing the plasma heating. The modulation of the ion density with the lower driving frequency affect the plasma heating considerably. The net effect depends on the amplitude and the phase of the ion modulation.
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The polarization signature from the circumstellar disks of classical Be stars
NASA Astrophysics Data System (ADS)
Halonen, R. J.; Jones, C. E.
2012-05-01
The scattering of light in the nonspherical circumstellar envelopes of classical Be stars produces distinct polarimetric properties that can be used to investigate the physical nature of the scattering environment. Both the continuum and emission line polarization are potentially important diagnostic tools in the modeling of these systems. We combine the use of a new multiple scattering code with an established non-LTE radiative transfer code to study the characteristic wavelength-dependence of the intrinsic polarization of classical Be stars. We construct models using realistic chemical composition and self-consistent calculations of the thermal structure of the disk, and then determine the fraction of emergent polarized light. In particular, the aim of this theoretical research project is to investigate the effect of gas density and metallicity on the observed polarization properties of classical Be stars.
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ERIC Educational Resources Information Center
Reid, Jerry B.
This report investigates an area of uncertainty in using the Angoff method for setting standards, namely whether or not a judge's conceptualizations of borderline group performance are realistic. Ratings are usually made with reference to the performance of this hypothetical group, therefore the Angoff method's success is dependent on this point.…
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Rethinking Mathematics Teaching in Liberia: Realistic Mathematics Education
ERIC Educational Resources Information Center
Stemn, Blidi S.
2017-01-01
In some African cultures, the concept of division does not necessarily mean sharing money or an item equally. How an item is shared might depend on the ages of the individuals involved. This article describes the use of the Realistic Mathematics Education (RME) approach to teach division word problems involving money in a 3rd-grade class in…
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Thermal effects in supernova matter
NASA Astrophysics Data System (ADS)
Constantinou, Constantinos
A crucial ingredient in simulations of core collapse supernova (SN) explosions is the equation of state (EOS) of nucleonic matter for densities extending from 10-7 fm-3 to 1 ffm-3, temperatures up to 50 MeV, and proton-to-baryon fraction in the range 0 to 1/2. SN explosions release 99% of the progenitor star's gravitational potential energy in the form of neutrinos and, additionally, they are responsible for populating the universe with elements heavier than 56Fe. Therefore, the importance of understanding this phenomenon cannot be overstated as it could shed light onto the underlying nuclear and neutrino physics. A realistic EOS of SN matter must incorporate the nucleon-nucleon interaction in a many-body environment. We treat this problem with a non-relativistic potential model as well as relativistic mean-field theoretical one. In the former approach, we employ the Skyrme-like Hamiltonian density constructed by Akmal, Pandharipande, and Ravenhall which takes into account the long scattering lengths of nucleons that determine the low density characteristics. In the latter, we use a Walecka-like Lagrangian density supplemented by non-linear interactions involving scalar, vector, and isovector meson exchanges, calibrated so that known properties of nuclear matter are reproduced. We focus on the bulk homogeneous phase and calculate its thermodynamic properties as functions of baryon density, temperature, and proton-to-baryon ratio. The exact numerical results are then compared to those in the degenerate and non-degenerate limits for which analytical formulae have been derived. We find that the two models bahave similarly for densities up to nuclear saturation but exhibit differences at higher densities most notably in the isospin susceptibilities, the chemical potentials, and the pressure. The importance of the correct momentum dependence in the single particle potential that fits optical potentials of nucleon-nucleus scattering was highlighted in the context of intermediate energy heavy-ion collisions. To explore the effect momentum-dependent interactions have on the thermal properties of dense matter we study a schematic model constructed by Welke et al. in which the appropriate momentum dependence that fits optical potential data is built through finite-range exchange forces of the Yukawa type. We look into the finite-temperature properties of this model in the context of infinite, isospin-symmetric nucleonic matter. The exact numerical results are compared to analytical ones in the quantum regime where we rely on Landau's Fermi-Liquid Theory, and in the classical regime where the state variables are obtained through a steepest descent calculation. Detailed comparisons with similarly calibrated Skyrme models are also performed. We find that the high-density behavior of the thermal pressure is once again a differentiating feature. We attribute this to the temperature dependence of the energy spectrum of the finite-range and the meson-exchange models which leads to a higher specific heat and thus a lower pressure.
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High density electronic circuit and process for making
Morgan, W.P.
1999-06-29
High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits are disclosed. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing. 8 figs.
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Gurarie, David; Karl, Stephan; Zimmerman, Peter A; King, Charles H; St Pierre, Timothy G; Davis, Timothy M E
2012-01-01
Agent-based modeling of Plasmodium falciparum infection offers an attractive alternative to the conventional Ross-Macdonald methodology, as it allows simulation of heterogeneous communities subjected to realistic transmission (inoculation patterns). We developed a new, agent based model that accounts for the essential in-host processes: parasite replication and its regulation by innate and adaptive immunity. The model also incorporates a simplified version of antigenic variation by Plasmodium falciparum. We calibrated the model using data from malaria-therapy (MT) studies, and developed a novel calibration procedure that accounts for a deterministic and a pseudo-random component in the observed parasite density patterns. Using the parasite density patterns of 122 MT patients, we generated a large number of calibrated parameters. The resulting data set served as a basis for constructing and simulating heterogeneous agent-based (AB) communities of MT-like hosts. We conducted several numerical experiments subjecting AB communities to realistic inoculation patterns reported from previous field studies, and compared the model output to the observed malaria prevalence in the field. There was overall consistency, supporting the potential of this agent-based methodology to represent transmission in realistic communities. Our approach represents a novel, convenient and versatile method to model Plasmodium falciparum infection.
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Revealing the z ~ 2.5 Cosmic Web with 3D Lyα Forest Tomography: a Deformation Tensor Approach
NASA Astrophysics Data System (ADS)
Lee, Khee-Gan; White, Martin
2016-11-01
Studies of cosmological objects should take into account their positions within the cosmic web of large-scale structure. Unfortunately, the cosmic web has only been extensively mapped at low redshifts (z\\lt 1), using galaxy redshifts as tracers of the underlying density field. At z\\gt 1, the required galaxy densities are inaccessible for the foreseeable future, but 3D reconstructions of Lyα forest absorption in closely separated background QSOs and star-forming galaxies already offer a detailed window into z˜ 2-3 large-scale structure. We quantify the utility of such maps for studying the cosmic web by using realistic z = 2.5 Lyα forest simulations matched to observational properties of upcoming surveys. A deformation tensor-based analysis is used to classify voids, sheets, filaments, and nodes in the flux, which are compared to those determined from the underlying dark matter (DM) field. We find an extremely good correspondence, with 70% of the volume in the flux maps correctly classified relative to the DM web, and 99% classified to within one eigenvalue. This compares favorably to the performance of galaxy-based classifiers with even the highest galaxy densities from low-redshift surveys. We find that narrow survey geometries can degrade the recovery of the cosmic web unless the survey is ≳ 60 {h}-1 {Mpc} or ≳ 1 deg on the sky. We also examine halo abundances as a function of the cosmic web, and find a clear dependence as a function of flux overdensity, but little explicit dependence on the cosmic web. These methods will provide a new window on cosmological environments of galaxies at this very special time in galaxy formation, “high noon,” and on overall properties of cosmological structures at this epoch.
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NASA Astrophysics Data System (ADS)
Curtis, S. A.; Grebowsky, J. M.
1980-07-01
Potentially serious environmental effects exist when cargo orbital transfer vehicle (COTV) ion propulsion is used on the scale proposed in the preliminary definition studies of the Satellite Power System. These effects of the large scale injections of ion propulsion exhaust in the plasmasphere and in the outer magnetosphere were shown to be highly model dependent with major differences existing in the predicted effects of two models, the ion cloud model and the ion sheath model. The expected total number density deposition of the propellant Ar(+) in the plasmasphere, the energy spectra of the deposited Ar(+) and time dependent behavior of the Ar(+) injected into the plasmasphere by a fleet of COTV vehicles differ drastically between the two models. The ion sheath model was demonstrated to be applicable to the proposed Ar(+) beam physics if the beam was divergent and turbulent whereas the ion cloud model was not a realistic approximation for such a beam because the "frozen-field" assumption on which it is based is not valid.
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Robustness of optimal random searches in fragmented environments
NASA Astrophysics Data System (ADS)
Wosniack, M. E.; Santos, M. C.; Raposo, E. P.; Viswanathan, G. M.; da Luz, M. G. E.
2015-05-01
The random search problem is a challenging and interdisciplinary topic of research in statistical physics. Realistic searches usually take place in nonuniform heterogeneous distributions of targets, e.g., patchy environments and fragmented habitats in ecological systems. Here we present a comprehensive numerical study of search efficiency in arbitrarily fragmented landscapes with unlimited visits to targets that can only be found within patches. We assume a random walker selecting uniformly distributed turning angles and step lengths from an inverse power-law tailed distribution with exponent μ . Our main finding is that for a large class of fragmented environments the optimal strategy corresponds approximately to the same value μopt≈2 . Moreover, this exponent is indistinguishable from the well-known exact optimal value μopt=2 for the low-density limit of homogeneously distributed revisitable targets. Surprisingly, the best search strategies do not depend (or depend only weakly) on the specific details of the fragmentation. Finally, we discuss the mechanisms behind this observed robustness and comment on the relevance of our results to both the random search theory in general, as well as specifically to the foraging problem in the biological context.
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The statistics of primordial density fluctuations
NASA Astrophysics Data System (ADS)
Barrow, John D.; Coles, Peter
1990-05-01
The statistical properties of the density fluctuations produced by power-law inflation are investigated. It is found that, even the fluctuations present in the scalar field driving the inflation are Gaussian, the resulting density perturbations need not be, due to stochastic variations in the Hubble parameter. All the moments of the density fluctuations are calculated, and is is argued that, for realistic parameter choices, the departures from Gaussian statistics are small and would have a negligible effect on the large-scale structure produced in the model. On the other hand, the model predicts a power spectrum with n not equal to 1, and this could be good news for large-scale structure.
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Simple stochastic model for El Niño with westerly wind bursts
Thual, Sulian; Majda, Andrew J.; Chen, Nan; Stechmann, Samuel N.
2016-01-01
Atmospheric wind bursts in the tropics play a key role in the dynamics of the El Niño Southern Oscillation (ENSO). A simple modeling framework is proposed that summarizes this relationship and captures major features of the observational record while remaining physically consistent and amenable to detailed analysis. Within this simple framework, wind burst activity evolves according to a stochastic two-state Markov switching–diffusion process that depends on the strength of the western Pacific warm pool, and is coupled to simple ocean–atmosphere processes that are otherwise deterministic, stable, and linear. A simple model with this parameterization and no additional nonlinearities reproduces a realistic ENSO cycle with intermittent El Niño and La Niña events of varying intensity and strength as well as realistic buildup and shutdown of wind burst activity in the western Pacific. The wind burst activity has a direct causal effect on the ENSO variability: in particular, it intermittently triggers regular El Niño or La Niña events, super El Niño events, or no events at all, which enables the model to capture observed ENSO statistics such as the probability density function and power spectrum of eastern Pacific sea surface temperatures. The present framework provides further theoretical and practical insight on the relationship between wind burst activity and the ENSO. PMID:27573821
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Acceleration of the Fast Solar Wind by Solitary Waves in Coronal Holes
NASA Technical Reports Server (NTRS)
Ofman, Leon
2001-01-01
The purpose of this investigation is to develop a new model for the acceleration of the fast solar wind by nonlinear. time-dependent multidimensional MHD simulations of waves in solar coronal holes. Preliminary computational studies indicate that nonlinear waves are generated in coronal holes by torsional Alfv\\'{e}n waves. These waves in addition to thermal conduction may contribute considerably to the accelerate the solar wind. Specific goals of this proposal are to investigate the generation of nonlinear solitary-like waves and their effect on solar wind acceleration by numerical 2.5D MHD simulation of coronal holes with a broad range of plasma and wave parameters; to study the effect of random disturbances at the base of a solar coronal hole on the fast solar wind acceleration with a more advanced 2.5D MHD model and to compare the results with the available observations; to extend the study to a full 3D MHD simulation of fast solar wind acceleration with a more realistic model of a coronal hole and solar boundary conditions. The ultimate goal of the three year study is to model the, fast solar wind in a coronal hole, based on realistic boundary conditions in a coronal hole near the Sun, and the coronal hole structure (i.e., density, temperature. and magnetic field geometry,) that will become available from the recently launched SOHO spacecraft.
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Acceleration of the Fast Solar Wind by Solitary Waves in Coronal Holes
NASA Technical Reports Server (NTRS)
Ofman, Leon
2000-01-01
The purpose of this investigation is to develop a new model for the acceleration of the fast solar wind by nonlinear, time-dependent multidimensional MHD simulations of waves in solar coronal holes. Preliminary computational studies indicate that solitary-like waves are generated in coronal holes nonlinearly by torsional Alfven waves. These waves in addition to thermal conduction may contribute considerably to the accelerate the solar wind. Specific goals of this proposal are to investigate the generation of nonlinear solitary-like waves and their effect on solar wind acceleration by numerical 2.5D MHD simulation of coronal holes with a broad range of plasma and wave parameters; to study the effect of random disturbances at the base of a solar coronal hole on the fast solar wind acceleration with a more advanced 2.5D MHD model and to compare the results with the available observations; to extend the study to a full 3D MHD simulation of fast solar wind acceleration with a more realistic model of a coronal hole and solar boundary conditions. The ultimate goal of the three year study is to model the fast solar wind in a coronal hole, based on realistic boundary conditions in a coronal hole near the Sun, and the coronal hole structure (i.e., density, temperature, and magnetic field geometry) that will become available from the recently launched SOHO spacecraft.
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NASA Astrophysics Data System (ADS)
Suh, Hyun Sang; Lee, Won Hee; Kim, Tae-Seong
2012-11-01
To establish safe and efficient transcranial direct current stimulation (tDCS), it is of particular importance to understand the electrical effects of tDCS in the brain. Since the current density (CD) and electric field (EF) in the brain generated by tDCS depend on various factors including complex head geometries and electrical tissue properties, in this work, we investigated the influence of anisotropic conductivity in the skull and white matter (WM) on tDCS via a 3D anatomically realistic finite element head model. We systematically incorporated various anisotropic conductivity ratios into the skull and WM. The effects of anisotropic tissue conductivity on the CD and EF were subsequently assessed through comparisons to the conventional isotropic solutions. Our results show that the anisotropic skull conductivity significantly affects the CD and EF distribution: there is a significant reduction in the ratio of the target versus non-target total CD and EF on the order of 12-14%. In contrast, the WM anisotropy does not significantly influence the CD and EF on the targeted cortical surface, only on the order of 1-3%. However, the WM anisotropy highly alters the spatial distribution of both the CD and EF inside the brain. This study shows that it is critical to incorporate anisotropic conductivities in planning of tDCS for improved efficacy and safety.
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Refined pipe theory for mechanistic modeling of wood development.
Deckmyn, Gaby; Evans, Sam P; Randle, Tim J
2006-06-01
We present a mechanistic model of wood tissue development in response to changes in competition, management and climate. The model is based on a refinement of the pipe theory, where the constant ratio between sapwood and leaf area (pipe theory) is replaced by a ratio between pipe conductivity and leaf area. Simulated pipe conductivity changes with age, stand density and climate in response to changes in allocation or pipe radius, or both. The central equation of the model, which calculates the ratio of carbon (C) allocated to leaves and pipes, can be parameterized to describe the contrasting stem conductivity behavior of different tree species: from constant stem conductivity (functional homeostasis hypothesis) to height-related reduction in stem conductivity with age (hydraulic limitation hypothesis). The model simulates the daily growth of pipes (vessels or tracheids), fibers and parenchyma as well as vessel size and simulates the wood density profile and the earlywood to latewood ratio from these data. Initial runs indicate the model yields realistic seasonal changes in pipe radius (decreasing pipe radius from spring to autumn) and wood density, as well as realistic differences associated with the competitive status of trees (denser wood in suppressed trees).
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High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas
NASA Astrophysics Data System (ADS)
Jenkins, Thomas G.; Smithe, David N.
2015-12-01
Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod's field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scans over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.
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High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jenkins, Thomas G., E-mail: tgjenkins@txcorp.com; Smithe, David N., E-mail: smithe@txcorp.com
Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod’s field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scansmore » over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.« less
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de Lara-Castells, María Pilar; Stoll, Hermann; Civalleri, Bartolomeo; Causà, Mauro; Voloshina, Elena; Mitrushchenkov, Alexander O; Pi, Martí
2014-10-21
In this work we propose a general strategy to calculate accurate He-surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on (4)He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of (4)He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the (4)He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.
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Optical-model potential for electron and positron elastic scattering by atoms
DOE Office of Scientific and Technical Information (OSTI.GOV)
Salvat, Francesc
2003-07-01
An optical-model potential for systematic calculations of elastic scattering of electrons and positrons by atoms and positive ions is proposed. The electrostatic interaction is determined from the Dirac-Hartree-Fock self-consistent atomic electron density. In the case of electron projectiles, the exchange interaction is described by means of the local-approximation of Furness and McCarthy. The correlation-polarization potential is obtained by combining the correlation potential derived from the local density approximation with a long-range polarization interaction, which is represented by means of a Buckingham potential with an empirical energy-dependent cutoff parameter. The absorption potential is obtained from the local-density approximation, using the Born-Ochkurmore » approximation and the Lindhard dielectric function to describe the binary collisions with a free-electron gas. The strength of the absorption potential is adjusted by means of an empirical parameter, which has been determined by fitting available absolute elastic differential cross-section data for noble gases and mercury. The Dirac partial-wave analysis with this optical-model potential provides a realistic description of elastic scattering of electrons and positrons with energies in the range from {approx}100 eV up to {approx}5 keV. At higher energies, correlation-polarization and absorption corrections are small and the usual static-exchange approximation is sufficiently accurate for most practical purposes.« less
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Bayesian power spectrum inference with foreground and target contamination treatment
NASA Astrophysics Data System (ADS)
Jasche, J.; Lavaux, G.
2017-10-01
This work presents a joint and self-consistent Bayesian treatment of various foreground and target contaminations when inferring cosmological power spectra and three-dimensional density fields from galaxy redshift surveys. This is achieved by introducing additional block-sampling procedures for unknown coefficients of foreground and target contamination templates to the previously presented ARES framework for Bayesian large-scale structure analyses. As a result, the method infers jointly and fully self-consistently three-dimensional density fields, cosmological power spectra, luminosity-dependent galaxy biases, noise levels of the respective galaxy distributions, and coefficients for a set of a priori specified foreground templates. In addition, this fully Bayesian approach permits detailed quantification of correlated uncertainties amongst all inferred quantities and correctly marginalizes over observational systematic effects. We demonstrate the validity and efficiency of our approach in obtaining unbiased estimates of power spectra via applications to realistic mock galaxy observations that are subject to stellar contamination and dust extinction. While simultaneously accounting for galaxy biases and unknown noise levels, our method reliably and robustly infers three-dimensional density fields and corresponding cosmological power spectra from deep galaxy surveys. Furthermore, our approach correctly accounts for joint and correlated uncertainties between unknown coefficients of foreground templates and the amplitudes of the power spectrum. This effect amounts to correlations and anti-correlations of up to 10 per cent across wide ranges in Fourier space.
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The effects on the ionosphere of inertia in the high latitude neutral thermosphere
NASA Technical Reports Server (NTRS)
Burns, Alan; Killeen, Timothy
1993-01-01
High-latitude ionospheric currents, plasma temperatures, densities, and composition are all affected by the time-dependent response of the neutral thermosphere to ion drag and Joule heating through a variety of complex feedback processes. These processes can best be studied numerically using the appropriate nonlinear numerical modeling techniques in conjunction with experimental case studies. In particular, the basic physics of these processes can be understood using a model, and these concepts can then be applied to more complex realistic situations by developing the appropriate simulations of real events. Finally, these model results can be compared with satellite-derived data from the thermosphere. We used numerical simulations from the National Center of Atmospheric Research Thermosphere/Ionosphere General Circulation Model (NCAR TIGCM) and data from the Dynamic Explorer 2 (DE 2) satellite to study the time-dependent effects of the inertia of the neutral thermosphere on ionospheric currents, plasma temperatures, densities, and composition. One particular case of these inertial effects is the so-called 'fly-wheel effect'. This effect occurs when the neutral gas, that has been spun-up by the large ionospheric winds associated with a geomagnetic storm, moves faster than the ions in the period after the end of the main phase of the storm. In these circumstances, the neutral gas can drag the ions along with them. It is this last effect, which is described in the next section, that we have studied under this grant.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Zeng, Qiao; Liang, WanZhen, E-mail: liangwz@xmu.edu.cn; Liu, Jie
2014-05-14
This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state energy Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with molecular mechanics (MM). The formalism, implementation, and applications of analytical first and second energy derivatives of TDDFT/MM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of adiabatic excitation energies, and excited-state geometries, harmonic vibrational frequencies, and infrared intensities for a number ofmore » benchmark systems. The consistent results with the full quantum mechanical method and other hybrid theoretical methods indicate the reliability of the current numerical implementation of developed algorithms. The computational accuracy and efficiency of the current analytical approach are also checked and the computational efficient strategies are suggested to speed up the calculations of complex systems with many MM degrees of freedom. Finally, we apply the current analytical approach in TDDFT/MM to a realistic system, a red fluorescent protein chromophore together with part of its nearby protein matrix. The calculated results indicate that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the large Stokes shift.« less
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NASA Astrophysics Data System (ADS)
Mamun, A. A.
2018-02-01
A general (but realistic) self-gravitating degenerate quantum plasma system (SG-DQPS) containing inertialess degenerate electron species, inertial degenerate light, and heavy ion/nucleus species is considered to examine the possibility for the existence of degenerate pressure driven self-gravito-acoustic (DPD-SGA) solitary waves (SWs) formed in such a SG-DQPS. The pseudo-potential approach, which is valid for the arbitrary amplitude DPD-SGA SWs, is employed. It is found that depending on the value of the number density of heavy ion/nucleus species, the SG-DQPS under consideration supports the existence of positive or the coexistence of positive and negative DPD-SGA SWs. The basic features (polarity, amplitude, and width) of both positive and negative DPD-SGA SWs are found to be significantly modified by the dynamics of heavy ion/nucleus species. The theoretical investigation presented here is so general that it can be applied not only in astrophysical SG-DQPSs (such as white dwarf and neutron star SG-DQPSs), but also in laboratory SG-DQPSs (viz., solid density and laser-produced SG-DQPSs) to identify the salient features of the DPD-SGA SWs formed in them.
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Predicting the cosmological constant with the scale-factor cutoff measure
DOE Office of Scientific and Technical Information (OSTI.GOV)
De Simone, Andrea; Guth, Alan H.; Salem, Michael P.
2008-09-15
It is well known that anthropic selection from a landscape with a flat prior distribution of cosmological constant {lambda} gives a reasonable fit to observation. However, a realistic model of the multiverse has a physical volume that diverges with time, and the predicted distribution of {lambda} depends on how the spacetime volume is regulated. A very promising method of regulation uses a scale-factor cutoff, which avoids a number of serious problems that arise in other approaches. In particular, the scale-factor cutoff avoids the 'youngness problem' (high probability of living in a much younger universe) and the 'Q and G catastrophes'more » (high probability for the primordial density contrast Q and gravitational constant G to have extremely large or small values). We apply the scale-factor cutoff measure to the probability distribution of {lambda}, considering both positive and negative values. The results are in good agreement with observation. In particular, the scale-factor cutoff strongly suppresses the probability for values of {lambda} that are more than about 10 times the observed value. We also discuss qualitatively the prediction for the density parameter {omega}, indicating that with this measure there is a possibility of detectable negative curvature.« less
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Gravitational radiation, inspiraling binaries, and cosmology
NASA Technical Reports Server (NTRS)
Chernoff, David F.; Finn, Lee S.
1993-01-01
We show how to measure cosmological parameters using observations of inspiraling binary neutron star or black hole systems in one or more gravitational wave detectors. To illustrate, we focus on the case of fixed mass binary systems observed in a single Laser Interferometer Gravitational-wave Observatory (LIGO)-like detector. Using realistic detector noise estimates, we characterize the rate of detections as a function of a threshold SNR Rho(0), H0, and the binary 'chirp' mass. For Rho(0) = 8, H0 = 100 km/s/Mpc, and 1.4 solar mass neutron star binaries, the sample has a median redshift of 0.22. Under the same assumptions but independent of H0, a conservative rate density of coalescing binaries implies LIGO will observe about 50/yr binary inspiral events. The precision with which H0 and the deceleration parameter q0 may be determined depends on the number of observed inspirals. For fixed mass binary systems, about 100 observations with Rho(0) = 10 in the LIGO will give H0 to 10 percent in an Einstein-DeSitter cosmology, and 3000 will give q0 to 20 percent. For the conservative rate density of coalescing binaries, 100 detections with Rho(0) = 10 will require about 4 yrs.
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NASA Astrophysics Data System (ADS)
Bensiali, Bouchra; Bodi, Kowsik; Ciraolo, Guido; Ghendrih, Philippe; Liandrat, Jacques
2013-03-01
In this work, we compare different interpolation operators in the context of particle tracking with an emphasis on situations involving velocity field with steep gradients. Since, in this case, most classical methods give rise to the Gibbs phenomenon (generation of oscillations near discontinuities), we present new methods for particle tracking based on subdivision schemes and especially on the Piecewise Parabolic Harmonic (PPH) scheme which has shown its advantage in image processing in presence of strong contrasts. First an analytic univariate case with a discontinuous velocity field is considered in order to highlight the effect of the Gibbs phenomenon on trajectory calculation. Theoretical results are provided. Then, we show, regardless of the interpolation method, the need to use a conservative approach when integrating a conservative problem with a velocity field deriving from a potential. Finally, the PPH scheme is applied in a more realistic case of a time-dependent potential encountered in the edge turbulence of magnetically confined plasmas, to compare the propagation of density structures (turbulence bursts) with the dynamics of test particles. This study highlights the difference between particle transport and density transport in turbulent fields.
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Ion diffusion may introduce spurious current sources in current-source density (CSD) analysis.
Halnes, Geir; Mäki-Marttunen, Tuomo; Pettersen, Klas H; Andreassen, Ole A; Einevoll, Gaute T
2017-07-01
Current-source density (CSD) analysis is a well-established method for analyzing recorded local field potentials (LFPs), that is, the low-frequency part of extracellular potentials. Standard CSD theory is based on the assumption that all extracellular currents are purely ohmic, and thus neglects the possible impact from ionic diffusion on recorded potentials. However, it has previously been shown that in physiological conditions with large ion-concentration gradients, diffusive currents can evoke slow shifts in extracellular potentials. Using computer simulations, we here show that diffusion-evoked potential shifts can introduce errors in standard CSD analysis, and can lead to prediction of spurious current sources. Further, we here show that the diffusion-evoked prediction errors can be removed by using an improved CSD estimator which accounts for concentration-dependent effects. NEW & NOTEWORTHY Standard CSD analysis does not account for ionic diffusion. Using biophysically realistic computer simulations, we show that unaccounted-for diffusive currents can lead to the prediction of spurious current sources. This finding may be of strong interest for in vivo electrophysiologists doing extracellular recordings in general, and CSD analysis in particular. Copyright © 2017 the American Physiological Society.
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Perturbation expansions of stochastic wavefunctions for open quantum systems
NASA Astrophysics Data System (ADS)
Ke, Yaling; Zhao, Yi
2017-11-01
Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.
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Chen, Tao; Chan, Hue Sun
2015-01-01
The bacterial colicin-immunity proteins Im7 and Im9 fold by different mechanisms. Experimentally, at pH 7.0 and 10°C, Im7 folds in a three-state manner via an intermediate but Im9 folding is two-state-like. Accordingly, Im7 exhibits a chevron rollover, whereas the chevron arm for Im9 folding is linear. Here we address the biophysical basis of their different behaviors by using native-centric models with and without additional transferrable, sequence-dependent energies. The Im7 chevron rollover is not captured by either a pure native-centric model or a model augmented by nonnative hydrophobic interactions with a uniform strength irrespective of residue type. By contrast, a more realistic nonnative interaction scheme that accounts for the difference in hydrophobicity among residues leads simultaneously to a chevron rollover for Im7 and an essentially linear folding chevron arm for Im9. Hydrophobic residues identified by published experiments to be involved in nonnative interactions during Im7 folding are found to participate in the strongest nonnative contacts in this model. Thus our observations support the experimental perspective that the Im7 folding intermediate is largely underpinned by nonnative interactions involving large hydrophobics. Our simulation suggests further that nonnative effects in Im7 are facilitated by a lower local native contact density relative to that of Im9. In a one-dimensional diffusion picture of Im7 folding with a coordinate- and stability-dependent diffusion coefficient, a significant chevron rollover is consistent with a diffusion coefficient that depends strongly on native stability at the conformational position of the folding intermediate. PMID:26016652
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Revisiting the NVSS number count dipole
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tiwari, Prabhakar; Nusser, Adi, E-mail: ptiwari@physics.technion.ac.il, E-mail: adi@physics.technion.ac.il
We present a realistic modeling of the dipole component of the projected sky distribution of NVSS radio galaxies. The modeling relies on mock catalogs generated within the context of ΛCDM cosmology, in the linear regime of structure formation. After removing the contribution from the solar motion, the mocks show that the remaining observed signal is mostly (70%) due to structures within z ∼< 0.1. The amplitude of the model signal depends on the bias factor b of the NVSS mock galaxies. For sources with flux density, S > 15 mJy, the bias recipe inferred from higher order moments is consistent with the observed dipole signalmore » at 2.12σ. Flux thresholds above 20 mJy yield a disagreement close to the 3σ level. A constant high bias, b = 3 is needed to mitigate the tension to the ∼ 2.3σ level.« less
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Modeling of the gate-controlled Kondo effect at carbon point defects in graphene
NASA Astrophysics Data System (ADS)
May, Daniel; Lo, Po-Wei; Deltenre, Kira; Henke, Anika; Mao, Jinhai; Jiang, Yuhang; Li, Guohong; Andrei, Eva Y.; Guo, Guang-Yu; Anders, Frithjof B.
2018-04-01
We study the magnetic properties in the vicinity of a single carbon defect in a monolayer of graphene. We include the unbound σ orbital and the vacancy-induced bound π state in an effective two-orbital single-impurity model. The local magnetic moments are stabilized by the Coulomb interaction as well as a significant ferromagnetic Hund's rule coupling between the orbitals predicted by a density functional theory calculation. A hybridization between the orbitals and the Dirac fermions is generated by the curvature of the graphene sheet in the vicinity of the vacancy. We present results for the local spectral function calculated using Wilson's numerical renormalization group approach for a realistic graphene band structure and find three different regimes depending on the filling, the controlling chemical potential, and the hybridization strength. These different regions are characterized by different magnetic properties. The calculated spectral functions qualitatively agree with recent scanning tunneling spectra on graphene vacancies.
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Dynamical current-induced ferromagnetic and antiferromagnetic resonances
NASA Astrophysics Data System (ADS)
Guimarães, F. S. M.; Lounis, S.; Costa, A. T.; Muniz, R. B.
2015-12-01
We demonstrate that ferromagnetic and antiferromagnetic excitations can be triggered by the dynamical spin accumulations induced by the bulk and surface contributions of the spin Hall effect. Due to the spin-orbit interaction, a time-dependent spin density is generated by an oscillatory electric field applied parallel to the atomic planes of Fe/W(110) multilayers. For symmetric trilayers of Fe/W/Fe in which the Fe layers are ferromagnetically coupled, we demonstrate that only the collective out-of-phase precession mode is excited, while the uniform (in-phase) mode remains silent. When they are antiferromagnetically coupled, the oscillatory electric field sets the Fe magnetizations into elliptical precession motions with opposite angular velocities. The manipulation of different collective spin-wave dynamical modes through the engineering of the multilayers and their thicknesses may be used to develop ultrafast spintronics devices. Our work provides a general framework that probes the realistic responses of materials in the time or frequency domain.
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Vortices in high-performance high-temperature superconductors
Kwok, Wai-Kwong; Welp, Ulrich; Glatz, Andreas; ...
2016-09-21
The behavior of vortex matter in high-temperature superconductors (HTS) controls the entire electromagnetic response of the material, including its current carrying capacity. In this paper, we review the basic concepts of vortex pinning and its application to a complex mixed pinning landscape to enhance the critical current and to reduce its anisotropy. We focus on recent scientific advances that have resulted in large enhancements of the in-field critical current in state-of-the-art second generation (2G) YBCO coated conductors and on the prospect of an isotropic, high-critical current superconductor in the iron-based superconductors. Finally, we discuss an emerging new paradigm of criticalmore » current by design—a drive to achieve a quantitative correlation between the observed critical current density and mesoscale mixed pinning landscapes by using realistic input parameters in an innovative and powerful large-scale time dependent Ginzburg–Landau approach to simulating vortex dynamics.« less
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Producing coherent excitations in pumped Mott antiferromagnetic insulators
NASA Astrophysics Data System (ADS)
Wang, Yao; Claassen, Martin; Moritz, B.; Devereaux, T. P.
2017-12-01
Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multiparticle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we show that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. Our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.
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NASA Astrophysics Data System (ADS)
Moortgat, J.; Amooie, M. A.; Soltanian, M. R.
2016-12-01
Problems in hydrogeology and hydrocarbon reservoirs generally involve the transport of solutes in a single solvent phase (e.g., contaminants or dissolved injection gas), or the flow of multiple phases that may or may not exchange mass (e.g., brine, NAPL, oil, gas). Often, flow is viscously and gravitationally unstable due to mobility and density contrasts within a phase or between phases. Such instabilities have been studied in detail for single-phase incompressible fluids and for two-phase immiscible flow, but to a lesser extent for multiphase multicomponent compressible flow. The latter is the subject of this presentation. Robust phase stability analyses and phase split calculations, based on equations of state, determine the mass exchange between phases and the resulting phase behavior, i.e., phase densities, viscosities, and volumes. Higher-order finite element methods and fine grids are used to capture the small-scale onset of flow instabilities. A full matrix of composition dependent coefficients is considered for each Fickian diffusive phase flux. Formation heterogeneity can have a profound impact and is represented by realistic geostatistical models. Qualitatively, fingering in multiphase compositional flow is different from single-phase problems because 1) phase mobilities depend on rock wettability through relative permeabilities, and 2) the initial density and viscosity ratios between phases may change due to species transfer. To quantify mixing rates in different flow regimes and for varying degrees of miscibility and medium heterogeneities, we define the spatial variance, scalar dissipation rate, dilution index, skewness, and kurtosis of the molar density of introduced species. Molar densities, unlike compositions, include compressibility effects. The temporal evolution of these measures shows that, while transport at the small-scale (cm) is described by the classical advection-diffusion-dispersion relations, scaling at the macro-scale (> 10 m) shows transitions between advective, diffusive, ballistic, sub-diffusive, and non-Fickian diffusive behavior. These scaling relations can be used to improve the predictive powers of field-scale reservoir simulations that cannot resolve the complexities of unstable flow and transport at cm-m scales.
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Interdependency of the maximum range of flexion-extension of hand metacarpophalangeal joints.
Gracia-Ibáñez, V; Vergara, M; Sancho-Bru, J-L
2016-12-01
Mobility of the fingers metacarpophalangeal (MCP) joints depends on the posture of the adjacent ones. Current Biomechanical hand models consider fixed ranges of movement at joints, regardless of the posture, thus allowing for non-realistic postures, generating wrong results in reach studies and forward dynamic analyses. This study provides data for more realistic hand models. The maximum voluntary extension (MVE) and flexion (MVF) of different combinations of MCP joints were measured covering their range of motion. Dependency of the MVF and MVE on the posture of the adjacent MCP joints was confirmed and mathematical models obtained through regression analyses (RMSE 7.7°).
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Realistic page-turning of electronic books
NASA Astrophysics Data System (ADS)
Fan, Chaoran; Li, Haisheng; Bai, Yannan
2014-01-01
The booming electronic books (e-books), as an extension to the paper book, are popular with readers. Recently, many efforts are put into the realistic page-turning simulation o f e-book to improve its reading experience. This paper presents a new 3D page-turning simulation approach, which employs piecewise time-dependent cylindrical surfaces to describe the turning page and constructs smooth transition method between time-dependent cylinders. The page-turning animation is produced by sequentially mapping the turning page into the cylinders with different radii and positions. Compared to the previous approaches, our method is able to imitate various effects efficiently and obtains more natural animation of turning page.
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A Model for Deformation and Fragmentation in Crushable Brittle Solids
2008-03-01
diameter 7.94mm, was formed from an alloy of mass density 18 690 kg/m3. The concrete target was SAC-7 composition [6], with no reinforcing bars, 25.4mm...normalized density of micro- cracks in the substance. Similar approaches, albeit with various different ways of relating continuum damage variables to...This technique is naturally more realistic than element deletion for modeling discrete cracks , and is thought to be particularly useful for
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Realistic molecular model of kerogen's nanostructure
NASA Astrophysics Data System (ADS)
Bousige, Colin; Ghimbeu, Camélia Matei; Vix-Guterl, Cathie; Pomerantz, Andrew E.; Suleimenova, Assiya; Vaughan, Gavin; Garbarino, Gaston; Feygenson, Mikhail; Wildgruber, Christoph; Ulm, Franz-Josef; Pellenq, Roland J.-M.; Coasne, Benoit
2016-05-01
Despite kerogen's importance as the organic backbone for hydrocarbon production from source rocks such as gas shale, the interplay between kerogen's chemistry, morphology and mechanics remains unexplored. As the environmental impact of shale gas rises, identifying functional relations between its geochemical, transport, elastic and fracture properties from realistic molecular models of kerogens becomes all the more important. Here, by using a hybrid experimental-simulation method, we propose a panel of realistic molecular models of mature and immature kerogens that provide a detailed picture of kerogen's nanostructure without considering the presence of clays and other minerals in shales. We probe the models' strengths and limitations, and show that they predict essential features amenable to experimental validation, including pore distribution, vibrational density of states and stiffness. We also show that kerogen's maturation, which manifests itself as an increase in the sp2/sp3 hybridization ratio, entails a crossover from plastic-to-brittle rupture mechanisms.
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Realistic Covariance Prediction for the Earth Science Constellation
NASA Technical Reports Server (NTRS)
Duncan, Matthew; Long, Anne
2006-01-01
Routine satellite operations for the Earth Science Constellation (ESC) include collision risk assessment between members of the constellation and other orbiting space objects. One component of the risk assessment process is computing the collision probability between two space objects. The collision probability is computed using Monte Carlo techniques as well as by numerically integrating relative state probability density functions. Each algorithm takes as inputs state vector and state vector uncertainty information for both objects. The state vector uncertainty information is expressed in terms of a covariance matrix. The collision probability computation is only as good as the inputs. Therefore, to obtain a collision calculation that is a useful decision-making metric, realistic covariance matrices must be used as inputs to the calculation. This paper describes the process used by the NASA/Goddard Space Flight Center's Earth Science Mission Operations Project to generate realistic covariance predictions for three of the Earth Science Constellation satellites: Aqua, Aura and Terra.
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Realistic molecular model of kerogen's nanostructure.
Bousige, Colin; Ghimbeu, Camélia Matei; Vix-Guterl, Cathie; Pomerantz, Andrew E; Suleimenova, Assiya; Vaughan, Gavin; Garbarino, Gaston; Feygenson, Mikhail; Wildgruber, Christoph; Ulm, Franz-Josef; Pellenq, Roland J-M; Coasne, Benoit
2016-05-01
Despite kerogen's importance as the organic backbone for hydrocarbon production from source rocks such as gas shale, the interplay between kerogen's chemistry, morphology and mechanics remains unexplored. As the environmental impact of shale gas rises, identifying functional relations between its geochemical, transport, elastic and fracture properties from realistic molecular models of kerogens becomes all the more important. Here, by using a hybrid experimental-simulation method, we propose a panel of realistic molecular models of mature and immature kerogens that provide a detailed picture of kerogen's nanostructure without considering the presence of clays and other minerals in shales. We probe the models' strengths and limitations, and show that they predict essential features amenable to experimental validation, including pore distribution, vibrational density of states and stiffness. We also show that kerogen's maturation, which manifests itself as an increase in the sp(2)/sp(3) hybridization ratio, entails a crossover from plastic-to-brittle rupture mechanisms.
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Analytical expressions for the evolution of many-body quantum systems quenched far from equilibrium
NASA Astrophysics Data System (ADS)
Santos, Lea F.; Torres-Herrera, E. Jonathan
2017-12-01
Possible strategies to describe analytically the dynamics of many-body quantum systems out of equilibrium include the use of solvable models and of full random matrices. None of the two approaches represent actual realistic systems, but they serve as references for the studies of these ones. We take the second path and obtain analytical expressions for the survival probability, density imbalance, and out-of-time-ordered correlator. Using these findings, we then propose an approximate expression that matches very well numerical results for the evolution of realistic finite quantum systems that are strongly chaotic and quenched far from equilibrium. In the case of the survival probability, the expression proposed covers all different time scales, from the moment the system is taken out of equilibrium to the moment it reaches a new equilibrium. The realistic systems considered are described by one-dimensional spin-1/2 models.
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Screening and transport in 2D semiconductor systems at low temperatures
Das Sarma, S.; Hwang, E. H.
2015-01-01
Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover. PMID:26572738
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Crystalline heterogeneities and instabilities in thermally convecting magma chamber
NASA Astrophysics Data System (ADS)
Culha, C.; Suckale, J.; Qin, Z.
2016-12-01
A volcanic vent can supply different densities of crystals over an eruption time period. This has been seen in Hawai'i's Kilauea Iki 1959 eruption; however it is not common for all Kilauea or basaltic eruptions. We ask the question: Under what conditions can homogenous magma chamber cultivate crystalline heterogeneities? In some laboratory experiments and numerical simulations, a horizontal variation is observed. The region where crystals reside is identified as a retention zone: convection velocity balances settling velocity. Simulations and experiments that observe retention zones assume crystals do not alter the convection in the fluid. However, a comparison of experiments and simulations of convecting magma with crystals suggest that large crystal volume densities and crystal sizes alter fluid flow considerably. We introduce a computational method that fully resolves the crystalline phase. To simulate basaltic magma chambers in thermal convection, we built a numerical solver of the Navier-Stoke's equation, continuity equation, and energy equation. The modeled magma is assumed to be a viscous, incompressible fluid with a liquid and solid phase. Crystals are spherical, rigid bodies. We create Rayleigh-Taylor instability through a cool top layer and hot bottom layer and update magma density while keeping crystal temperature and size constant. Our method provides a detailed picture of magma chambers, which we compare to other models and experiments to identify when and how crystals alter magma chamber convection. Alterations include stratification, differential settling and instabilities. These characteristics are dependent on viscosity, convection vigor, crystal volume density and crystal characteristics. We reveal that a volumetric crystal density variation may occur over an eruption time period, if right conditions are met to form stratifications and instabilities in magma chambers. These conditions are realistic for Kilauea Iki's 1959 eruption.
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Elliptic-cylindrical analytical flux-rope model for ICMEs
NASA Astrophysics Data System (ADS)
Nieves-Chinchilla, T.; Linton, M.; Hidalgo, M. A. U.; Vourlidas, A.
2016-12-01
We present an analytical flux-rope model for realistic magnetic structures embedded in Interplanetary Coronal Mass Ejections. The framework of this model was established by Nieves-Chinchilla et al. (2016) with the circular-cylindrical analytical flux rope model and under the concept developed by Hidalgo et al. (2002). Elliptic-cylindrical geometry establishes the first-grade of complexity of a series of models. The model attempts to describe the magnetic flux rope topology with distorted cross-section as a possible consequence of the interaction with the solar wind. In this model, the flux rope is completely described in the non-euclidean geometry. The Maxwell equations are solved using tensor calculus consistently with the geometry chosen, invariance along the axial component, and with the only assumption of no radial current density. The model is generalized in terms of the radial dependence of the poloidal current density component and axial current density component. The misalignment between current density and magnetic field is studied in detail for the individual cases of different pairs of indexes for the axial and poloidal current density components. This theoretical analysis provides a map of the force distribution inside of the flux-rope. The reconstruction technique has been adapted to the model and compared with in situ ICME set of events with different in situ signatures. The successful result is limited to some cases with clear in-situ signatures of distortion. However, the model adds a piece in the puzzle of the physical-analytical representation of these magnetic structures. Other effects such as axial curvature, expansion and/or interaction could be incorporated in the future to fully understand the magnetic structure. Finally, the mathematical formulation of this model opens the door to the next model: toroidal flux rope analytical model.
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Spatial Fluctuations of the Intergalactic Temperature-Density Relation After Hydrogen Reionization
NASA Astrophysics Data System (ADS)
Keating, Laura C.; Puchwein, Ewald; Haehnelt, Martin G.
2018-04-01
The thermal state of the post-reionization IGM is sensitive to the timing of reionization and the nature of the ionizing sources. We have modelled here the thermal state of the IGM in cosmological radiative transfer simulations of a realistic, extended, spatially inhomogeneous hydrogen reionization process, carefully calibrated with Lyα forest data. We compare these with cosmological simulations run using a spatially homogeneous ionizing background. The simulations with a realistic growth of ionized regions and a realistic spread in reionization redshifts show, as expected, significant spatial fluctuations in the temperature-density relation (TDR) of the post-reionization IGM. The most recently ionized regions are hottest and exhibit a flatter TDR. In simulations consistent with the average TDR inferred from Lyα forest data, these spatial fluctuations have a moderate but noticeable effect on the statistical properties of the Lyα opacity of the IGM at z ˜ 4 - 6. This should be taken into account in accurate measurements of the thermal properties of the IGM and the free-streaming of dark matter from Lyα forest data in this redshift range. The spatial variations of the TDR predicted by our simulations are, however, smaller by about a factor two than would be necessary to explain the observed large spatial opacity fluctuations on large (≥ 50 h-1 comoving Mpc) scales at z ≳ 5.5.
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Spatial fluctuations of the intergalactic temperature-density relation after hydrogen reionization
NASA Astrophysics Data System (ADS)
Keating, Laura C.; Puchwein, Ewald; Haehnelt, Martin G.
2018-07-01
The thermal state of the post-reionization IGM is sensitive to the timing of reionization and the nature of the ionizing sources. We have modelled here the thermal state of the IGM in cosmological radiative transfer simulations of a realistic, extended, spatially inhomogeneous hydrogen reionization process, carefully calibrated with Ly α forest data. We compare these with cosmological simulations run using a spatially homogeneous ionizing background. The simulations with a realistic growth of ionized regions and a realistic spread in reionization redshifts show, as expected, significant spatial fluctuations in the temperature-density relation (TDR) of the post-reionization IGM. The most recently ionized regions are hottest and exhibit a flatter TDR. In simulations consistent with the average TDR inferred from Ly α forest data, these spatial fluctuations have a moderate but noticeable effect on the statistical properties of the Ly α opacity of the IGM at z ˜ 4-6. This should be taken into account in accurate measurements of the thermal properties of the IGM and the free-streaming of dark matter from Ly α forest data in this redshift range. The spatial variations of the TDR predicted by our simulations are, however, smaller by about a factor of 2 than would be necessary to explain the observed large spatial opacity fluctuations on large (≥50 h-1 comoving Mpc) scales atz ≳ 5.5.
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Two-dimensional Coupled Petrological-tectonic Modelling of Extensional Basins
NASA Astrophysics Data System (ADS)
Kaus, B. J. P.; Podladchikov, Y. Y.; Connolly, J. A. D.
Most numerical codes that simulate the deformation of a lithosphere assume the den- sity of the lithosphere to be either constant or depend only on temperature and pres- sure. It is, however, well known that rocks undergo phase transformations in response to changes in pressure and temperature. Such phase transformations may substantially alter the bulk properties of the rock (i.e., density, thermal conductivity, thermal ex- pansivity and elastic moduli). Several previous studies demonstrated that the density effects due to phase transitions are indeed large enough to have an impact on the litho- sphere dynamics. These studies were however oversimplified in that they accounted for only one or two schematic discontinuous phase transitions. The current study there- fore takes into account all the reactions that occur for a realistic lithospheric composi- tion. Calculation of the phase diagram and bulk physical properties of the stable phase assemblages for the crust and mantle within the continental lithosphere was done ac- counting for mineral solution behaviour using a free energy minimization program for natural rock compositions. The results of these calculations provide maps of the varia- tions in rock properties as a function of pressure and temperature that are easily incor- porated in any dynamic model computations. In this contribution we implemented a density map in the two-dimensional basin code TECMOD2D. We compare the results of the model with metamorphic reactions with a model without reactions and define some effective parameters that allow the use of a simpler model that still mimics most of the density effects of the metamorphic reactions.
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Neural network evaluation of reflectometry density profiles for control purposes
NASA Astrophysics Data System (ADS)
Santos, J.; Nunes, F.; Manso, M.; Nunes, I.
1999-01-01
Broadband reflectometry is a diagnostic that is able to measure the density profile with high spatial and temporal resolutions, therefore it can be used to improve the performance of advanced tokamak operation modes and to supplement or correct the magnetics for plasma position control. To perform these tasks real-time processing is needed. Here we present a method that uses a neural network to make a fast evaluation of radial positions for selected density layers. Typical ASDEX Upgrade density profiles were used to generate the simulated network training and test sets. It is shown that the method has the potential to meet the tight timing requirements of control applications with the required accuracy. The network is also able to provide an accurate estimation of the position of density layers below the first density layer which is probed by an O-mode reflectometer, provided that it is trained with a realistic density profile model.
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Computerized algorithms for partial cuts
R.L. Ernst; S.L. Stout
1991-01-01
Stand density, stand structure (diameter distribution), and species composition are all changed by intermediate treatments in forest stands. To use computer stand-growth simulators to assess the effects of different treatments on stand growth and development, users must be able to duplicate silviculturally realistic treatments in the simulator. In this paper, we review...
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Grinev, Timur; Brumer, Paul
2015-12-28
Molecular excitation with incoherent light is examined using realistic turn-on time scales, and results are compared to those obtained via commonly used sudden turn-on, or pulses. Two significant results are obtained. First, in contrast to prior studies involving sudden turn-on, realistic turn-on is shown to lead to stationary coherences for natural turn-on time scales. Second, the time to reach the final stationary mixed state, known to result from incoherent excitation, is shown to depend directly on the inverse of the molecular energy level spacings, in both sudden and realistic turn-on cases. The S{sub 0} → S{sub 2}/S{sub 1} internal conversionmore » process in pyrazine is used as an example throughout. Implications for studies of natural light harvesting systems are noted.« less
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NASA Astrophysics Data System (ADS)
Lu, Jian-Duo; Li, Yun-Bao; Liu, Hong-Yu; Peng, Shun-Jin; Zhao, Fei-Xiang
2016-09-01
Based on the transfer-matrix method, a systematic investigation of electron transport properties is done in a monolayer graphene modulated by the realistic magnetic field and the Schottky metal stripe. The strong dependence of the electron transmission and the conductance on the incident angle of carriers is clearly seen. The height, position as well as width of the barrier also play an important role on the electron transport properties. These interesting results are very useful for understanding the tunneling mechanism in the monolayer graphene and helpful for designing the graphene-based electrical device modulated by the realistic magnetic field and the electrical barrier.
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Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells
NASA Astrophysics Data System (ADS)
Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel; Sebastian, Abu
2016-01-01
In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current in doped Ge2Sb2Te5 nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.
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Ly, Cheng
2013-10-01
The population density approach to neural network modeling has been utilized in a variety of contexts. The idea is to group many similar noisy neurons into populations and track the probability density function for each population that encompasses the proportion of neurons with a particular state rather than simulating individual neurons (i.e., Monte Carlo). It is commonly used for both analytic insight and as a time-saving computational tool. The main shortcoming of this method is that when realistic attributes are incorporated in the underlying neuron model, the dimension of the probability density function increases, leading to intractable equations or, at best, computationally intensive simulations. Thus, developing principled dimension-reduction methods is essential for the robustness of these powerful methods. As a more pragmatic tool, it would be of great value for the larger theoretical neuroscience community. For exposition of this method, we consider a single uncoupled population of leaky integrate-and-fire neurons receiving external excitatory synaptic input only. We present a dimension-reduction method that reduces a two-dimensional partial differential-integral equation to a computationally efficient one-dimensional system and gives qualitatively accurate results in both the steady-state and nonequilibrium regimes. The method, termed modified mean-field method, is based entirely on the governing equations and not on any auxiliary variables or parameters, and it does not require fine-tuning. The principles of the modified mean-field method have potential applicability to more realistic (i.e., higher-dimensional) neural networks.
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NASA Astrophysics Data System (ADS)
Rubino, A.; Budillon, G.; Pierini, S.; Spezie, G.
The sinking and spreading of the Deep Ice Shelf Water (DISW) in the Ross Sea are analyzed using in situ observations and the results of a nonlinear, reduced-gravity, frontal layered numerical "plume" model which is able to simulate the motion of a bottom-arrested current over realistic topography. The model is forced by prescribing the thickness of the DISW vein as well as its density structure at the southern model boundary. The ambient temperature and salinity are imposed using hydrographic data acquired by the Italian PNRA-CLIMA project. In the model water of the quiescent ambient ocean is allowed to entrain in the active deep layer due to a simple param- eterization of turbulent mixing. The importance of forcing the model with a realistic ambient density is demonstrated by carrying out a numerical simulation in which the bottom active layer is forced using an idealized ambient density. In a more realis- tic simulation the path and the density structure of the DISW vein flowing over the Challenger Basin are obtained and are found to be in good agreement with data. The evolution of the deep current beyond the continental shelf is also simulated. It provides useful information on the water flow and mixing in a region of the Ross Sea where the paucity of experimental data does not allow for a detailed description of the deep ocean dynamics.
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Comparison of Deterministic and Probabilistic Radial Distribution Systems Load Flow
NASA Astrophysics Data System (ADS)
Gupta, Atma Ram; Kumar, Ashwani
2017-12-01
Distribution system network today is facing the challenge of meeting increased load demands from the industrial, commercial and residential sectors. The pattern of load is highly dependent on consumer behavior and temporal factors such as season of the year, day of the week or time of the day. For deterministic radial distribution load flow studies load is taken as constant. But, load varies continually with a high degree of uncertainty. So, there is a need to model probable realistic load. Monte-Carlo Simulation is used to model the probable realistic load by generating random values of active and reactive power load from the mean and standard deviation of the load and for solving a Deterministic Radial Load Flow with these values. The probabilistic solution is reconstructed from deterministic data obtained for each simulation. The main contribution of the work is: Finding impact of probable realistic ZIP load modeling on balanced radial distribution load flow. Finding impact of probable realistic ZIP load modeling on unbalanced radial distribution load flow. Compare the voltage profile and losses with probable realistic ZIP load modeling for balanced and unbalanced radial distribution load flow.
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van Meer, R; Gritsenko, O V; Baerends, E J
2014-10-14
In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).
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The turbulent life of dust grains in the supernova-driven, multiphase interstellar medium
NASA Astrophysics Data System (ADS)
Peters, Thomas; Zhukovska, Svitlana; Naab, Thorsten; Girichidis, Philipp; Walch, Stefanie; Glover, Simon C. O.; Klessen, Ralf S.; Clark, Paul C.; Seifried, Daniel
2017-06-01
Dust grains are an important component of the interstellar medium (ISM) of galaxies. We present the first direct measurement of the residence times of interstellar dust in the different ISM phases, and of the transition rates between these phases, in realistic hydrodynamical simulations of the multiphase ISM. Our simulations include a time-dependent chemical network that follows the abundances of H+, H, H2, C+ and CO and take into account self-shielding by gas and dust using a tree-based radiation transfer method. Supernova explosions are injected either at random locations, at density peaks, or as a mixture of the two. For each simulation, we investigate how matter circulates between the ISM phases and find more sizeable transitions than considered in simple mass exchange schemes in the literature. The derived residence times in the ISM phases are characterized by broad distributions, in particular for the molecular, warm and hot medium. The most realistic simulations with random and mixed driving have median residence times in the molecular, cold, warm and hot phase around 17, 7, 44 and 1 Myr, respectively. The transition rates measured in the random driving run are in good agreement with observations of Ti gas-phase depletion in the warm and cold phases in a simple depletion model. ISM phase definitions based on chemical abundance rather than temperature cuts are physically more meaningful, but lead to significantly different transition rates and residence times because there is no direct correspondence between the two definitions.
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Reexamination of Induction Heating of Primitive Bodies in Protoplanetary Disks
NASA Astrophysics Data System (ADS)
Menzel, Raymond L.; Roberge, Wayne G.
2013-10-01
We reexamine the unipolar induction mechanism for heating asteroids originally proposed in a classic series of papers by Sonett and collaborators. As originally conceived, induction heating is caused by the "motional electric field" that appears in the frame of an asteroid immersed in a fully ionized, magnetized solar wind and drives currents through its interior. However, we point out that classical induction heating contains a subtle conceptual error, in consequence of which the electric field inside the asteroid was calculated incorrectly. The problem is that the motional electric field used by Sonett et al. is the electric field in the freely streaming plasma far from the asteroid; in fact, the motional field vanishes at the asteroid surface for realistic assumptions about the plasma density. In this paper we revisit and improve the induction heating scenario by (1) correcting the conceptual error by self-consistently calculating the electric field in and around the boundary layer at the asteroid-plasma interface; (2) considering weakly ionized plasmas consistent with current ideas about protoplanetary disks; and (3) considering more realistic scenarios that do not require a fully ionized, powerful T Tauri wind in the disk midplane. We present exemplary solutions for two highly idealized flows that show that the interior electric field can either vanish or be comparable to the fields predicted by classical induction depending on the flow geometry. We term the heating driven by these flows "electrodynamic heating," calculate its upper limits, and compare them to heating produced by short-lived radionuclides.
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NASA Astrophysics Data System (ADS)
Dedes, I.; Dudek, J.
2018-03-01
We examine the effects of the parametric correlations on the predictive capacities of the theoretical modelling keeping in mind the nuclear structure applications. The main purpose of this work is to illustrate the method of establishing the presence and determining the form of parametric correlations within a model as well as an algorithm of elimination by substitution (see text) of parametric correlations. We examine the effects of the elimination of the parametric correlations on the stabilisation of the model predictions further and further away from the fitting zone. It follows that the choice of the physics case and the selection of the associated model are of secondary importance in this case. Under these circumstances we give priority to the relative simplicity of the underlying mathematical algorithm, provided the model is realistic. Following such criteria, we focus specifically on an important but relatively simple case of doubly magic spherical nuclei. To profit from the algorithmic simplicity we chose working with the phenomenological spherically symmetric Woods–Saxon mean-field. We employ two variants of the underlying Hamiltonian, the traditional one involving both the central and the spin orbit potential in the Woods–Saxon form and the more advanced version with the self-consistent density-dependent spin–orbit interaction. We compare the effects of eliminating of various types of correlations and discuss the improvement of the quality of predictions (‘predictive power’) under realistic parameter adjustment conditions.
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CHOLLA: A New Massively Parallel Hydrodynamics Code for Astrophysical Simulation
NASA Astrophysics Data System (ADS)
Schneider, Evan E.; Robertson, Brant E.
2015-04-01
We present Computational Hydrodynamics On ParaLLel Architectures (Cholla ), a new three-dimensional hydrodynamics code that harnesses the power of graphics processing units (GPUs) to accelerate astrophysical simulations. Cholla models the Euler equations on a static mesh using state-of-the-art techniques, including the unsplit Corner Transport Upwind algorithm, a variety of exact and approximate Riemann solvers, and multiple spatial reconstruction techniques including the piecewise parabolic method (PPM). Using GPUs, Cholla evolves the fluid properties of thousands of cells simultaneously and can update over 10 million cells per GPU-second while using an exact Riemann solver and PPM reconstruction. Owing to the massively parallel architecture of GPUs and the design of the Cholla code, astrophysical simulations with physically interesting grid resolutions (≳2563) can easily be computed on a single device. We use the Message Passing Interface library to extend calculations onto multiple devices and demonstrate nearly ideal scaling beyond 64 GPUs. A suite of test problems highlights the physical accuracy of our modeling and provides a useful comparison to other codes. We then use Cholla to simulate the interaction of a shock wave with a gas cloud in the interstellar medium, showing that the evolution of the cloud is highly dependent on its density structure. We reconcile the computed mixing time of a turbulent cloud with a realistic density distribution destroyed by a strong shock with the existing analytic theory for spherical cloud destruction by describing the system in terms of its median gas density.
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NASA Astrophysics Data System (ADS)
Elber Duverger, James; Boudreau-Béland, Jonathan; Le, Minh Duc; Comtois, Philippe
2014-11-01
Self-organization of pacemaker (PM) activity of interconnected elements is important to the general theory of reaction-diffusion systems as well as for applications such as PM activity in cardiac tissue to initiate beating of the heart. Monolayer cultures of neonatal rat ventricular myocytes (NRVMs) are often used as experimental models in studies on cardiac electrophysiology. These monolayers exhibit automaticity (spontaneous activation) of their electrical activity. At low plated density, cells usually show a heterogeneous population consisting of PM and quiescent excitable cells (QECs). It is therefore highly probable that monolayers of NRVMs consist of a heterogeneous network of the two cell types. However, the effects of density and spatial distribution of the PM cells on spontaneous activity of monolayers remain unknown. Thus, a simple stochastic pattern formation algorithm was implemented to distribute PM and QECs in a binary-like 2D network. A FitzHugh-Nagumo excitable medium was used to simulate electrical spontaneous and propagating activity. Simulations showed a clear nonlinear dependency of spontaneous activity (occurrence and amplitude of spontaneous period) on the spatial patterns of PM cells. In most simulations, the first initiation sites were found to be located near the substrate boundaries. Comparison with experimental data obtained from cardiomyocyte monolayers shows important similarities in the position of initiation site activity. However, limitations in the model that do not reflect the complex beat-to-beat variation found in experiments indicate the need for a more realistic cardiomyocyte representation.
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Zimmermann, Fabian; Ricard, Daniel; Heino, Mikko
2018-05-01
Population regulation is a central concept in ecology, yet in many cases its presence and the underlying mechanisms are difficult to demonstrate. The current paradigm maintains that marine fish populations are predominantly regulated by density-dependent recruitment. While it is known that density-dependent somatic growth can be present too, its general importance remains unknown and most practical applications neglect it. This study aimed to close this gap by for the first time quantifying and comparing density dependence in growth and recruitment over a large set of fish populations. We fitted density-dependent models to time-series data on population size, recruitment and age-specific weight from commercially exploited fish populations in the Northeast Atlantic Ocean and the Baltic Sea. Data were standardized to enable a direct comparison within and among populations, and estimated parameters were used to quantify the impact of density regulation on population biomass. Statistically significant density dependence in recruitment was detected in a large proportion of populations (70%), whereas for density dependence in somatic growth the prevalence of density dependence depended heavily on the method (26% and 69%). Despite age-dependent variability, the density dependence in recruitment was consistently stronger among age groups and between alternative approaches that use weight-at-age or weight increments to assess growth. Estimates of density-dependent reduction in biomass underlined these results: 97% of populations with statistically significant parameters for growth and recruitment showed a larger impact of density-dependent recruitment on population biomass. The results reaffirm the importance of density-dependent recruitment in marine fishes, yet they also show that density dependence in somatic growth is not uncommon. Furthermore, the results are important from an applied perspective because density dependence in somatic growth affects productivity and catch composition, and therefore the benefits of maintaining fish populations at specific densities. © 2018 The Authors. Journal of Animal Ecology published by John Wiley & Sons Ltd on behalf of British Ecological Society.
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An analytical approach to the CMB polarization in a spatially closed background
NASA Astrophysics Data System (ADS)
Niazy, Pedram; Abbassi, Amir H.
2018-03-01
The scalar mode polarization of the cosmic microwave background is derived in a spatially closed universe from the Boltzmann equation using the line of sight integral method. The EE and TE multipole coefficients have been extracted analytically by considering some tolerable approximations such as considering the evolution of perturbation hydrodynamically and sudden transition from opacity to transparency at the time of last scattering. As the major advantage of analytic expressions, CEE,ℓS and CTE,ℓ
explicitly show the dependencies on baryon density ΩB, matter density ΩM, curvature ΩK, primordial spectral index ns, primordial power spectrum amplitude As, Optical depth τreion, recombination width σt and recombination time tL. Using a realistic set of cosmological parameters taken from a fit to data from Planck, the closed universe EE and TE power spectrums in the scalar mode are compared with numerical results from the CAMB code and also latest observational data. The analytic results agree with the numerical ones on the big and moderate scales. The peak positions are in good agreement with the numerical result on these scales while the peak heights agree with that to within 20% due to the approximations have been considered for these derivations. Also, several interesting properties of CMB polarization are revealed by the analytic spectra. -
The effect of twisted D–D–π–A configuration on electron transfer and photo-physics characteristics
NASA Astrophysics Data System (ADS)
Liu, Yunpeng; Li, Yuanzuo; Song, Peng; Ma, Fengcai; Yang, Yanhui
2018-05-01
Two D-D-π-A organic dyes (M45, M46) with dithieno[3,2-b:2‧,3‧-d]pyrrole (DTP) units as election donors in two perpendicular directions, were investigated using density functional theory (DFT) and time-dependent DFT. The ground-state geometries, the absorption, the electronic structures, the charge density difference and molecular electrostatic potential were obtained. To simulate a more realistic performance, all calculations were based on gas condition and dichloromethane solvent. Photoelectric parameters were evaluated by the following factors: the light harvesting efficiency, electron injection driving force, the excited lifetime and vertical dipole moment. Meanwhile, the polarisability and hyperpolarisability were investigated to further explain the relationship between non-linear optical properties and efficiency. The direction of the DTP obviously affects the twisted degree of molecule, forming a better coplanarity on the donor 2 of M45, which results in stronger charge transfer interactions. Furthermore, M45 possesses significant advantages in geometric structure, absorption band and intramolecular charge transfer mechanism. These critical parameters supported the higher performance of M45 in comparison with M46. Moreover, four dyes were designed by the substitution of donor 2, which further verify the influence of the twisted donor 2 on electron transfer and photoelectric properties of D-D-π-A configuration.
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Effects on Spacecraft Radiometric Data at Superior Solar Conjunction
NASA Technical Reports Server (NTRS)
Morley, Trevor; Budnik, Frank
2007-01-01
During 2006, three ESA interplanetary spacecraft, Rosetta, Mars Express (MEX) and Venus Express (VEX), passed through superior solar conjunction. For all three spacecraft, the noise in the post-fit range-rate residuals from the orbit determination was analysed. At small Sun-Earth-Probe (SEP) angles the level was almost two orders of magnitude higher than normal. The main objective was to characterize the Doppler (rangerate) noise as a function of SEP angle. At least then the range-rate data can be appropriately weighted within the orbit determination so that the solution uncertainties are realistic. For VEX, some intervals of particularly noisy Doppler data could be correlated with unusual solar activity. For Rosetta, the biases in the range data residuals were analysed with the aim of improving the model used for calibrating the signal delay due to the solar plasma. The model, which originally had fixed coefficients, was adjusted to achieve better fits to the data. Even the relatively small Doppler biases were well represented. Using the improved model, the electron density at 20 solar radii was compared with earlier results obtained by radio science studies using Voyager 2 and Ulysses radiometric data. There is some evidence for a dependency of the density on the phase within the 11 years solar cycle.
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The geometry of protein hydration
NASA Astrophysics Data System (ADS)
Persson, Filip; Söderhjelm, Pär; Halle, Bertil
2018-06-01
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best method for constructing monolayer shells with nearly complete coverage is to use a 5 Å water-carbon cutoff and a 4 Å water-water cutoff. Using this method, we determine a mean interfacial water area of 11.1 Å2 which appears to be a universal property of the protein-water interface. We then analyze the local coordination and packing density of water molecules in the hydration shells and in subsets of the first shell. The mean polar water coordination number in the first shell remains within 1% of the bulk-water value, and it is 5% lower in the nonpolar part of the first shell. The local packing density is obtained from additively weighted Voronoi tessellation, arguably the most physically realistic method for allocating space between protein and water. We find that water in all parts of the first hydration shell, including the nonpolar part, is more densely packed than in the bulk, with a shell-averaged density excess of 6% for all four proteins. We suggest reasons why this value differs from previous experimental and computational results, emphasizing the importance of a realistic placement of the protein-water dividing surface and the distinction between spatial correlation and packing density. The protein-induced perturbation of water coordination and packing density is found to be short-ranged, with an exponential decay "length" of 0.6 shells. We also compute the protein partial volume, analyze its decomposition, and argue against the relevance of electrostriction.
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Chaotic Modes in Scale Free Opinion Networks
NASA Astrophysics Data System (ADS)
Kusmartsev, Feo V.; Kürten, Karl E.
In this paper, we investigate processes associated with formation of public opinion in varies directed random, scale free and small-world social networks. The important factor of the opinion formation is the existence of contrarians which were discovered by Granovetter in various social psychology experiments1,2,3 long ago and later introduced in sociophysics by Galam.4 When the density of contrarians increases the system behavior drastically changes at some critical value. At high density of contrarians the system can never arrive to a consensus state and periodically oscillates with different periods depending on specific structure of the network. At small density of the contrarians the behavior is manifold. It depends primary on the initial state of the system. If initially the majority of the population agrees with each other a state of stable majority may be easily reached. However when originally the population is divided in nearly equal parts consensus can never be reached. We model the emergence of collective decision making by considering N interacting agents, whose opinions are described by two state Ising spin variable associated with YES and NO. We show that the dynamical behaviors are very sensitive not only to the density of the contrarians but also to the network topology. We find that a phase of social chaos may arise in various dynamical processes of opinion formation in many realistic models. We compare the prediction of the theory with data describing the dynamics of the average opinion of the USA population collected on a day-by-day basis by varies media sources during the last six month before the final Obama-McCain election. The qualitative ouctome is in reasonable agreement with the prediction of our theory. In fact, the analyses of these data made within the paradigm of our theory indicates that even in this campaign there were chaotic elements where the public opinion migrated in an unpredictable chaotic way. The existence of such a phase of social chaos reflects a main feature of the human being associated with some doubts and uncertainty and especially associated with contrarians which undoubtly exist in any society.
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Chaotic Modes in Scale Free Opinion Networks
NASA Astrophysics Data System (ADS)
Kusmartsev, Feo V.; Kürten, Karl E.
2010-12-01
In this paper, we investigate processes associated with formation of public opinion in varies directed random, scale free and small-world social networks. The important factor of the opinion formation is the existence of contrarians which were discovered by Granovetter in various social psychology experiments1,2,3 long ago and later introduced in sociophysics by Galam.4 When the density of contrarians increases the system behavior drastically changes at some critical value. At high density of contrarians the system can never arrive to a consensus state and periodically oscillates with different periods depending on specific structure of the network. At small density of the contrarians the behavior is manifold. It depends primary on the initial state of the system. If initially the majority of the population agrees with each other a state of stable majority may be easily reached. However when originally the population is divided in nearly equal parts consensus can never be reached. We model the emergence of collective decision making by considering N interacting agents, whose opinions are described by two state Ising spin variable associated with YES and NO. We show that the dynamical behaviors are very sensitive not only to the density of the contrarians but also to the network topology. We find that a phase of social chaos may arise in various dynamical processes of opinion formation in many realistic models. We compare the prediction of the theory with data describing the dynamics of the average opinion of the USA population collected on a day-by-day basis by varies media sources during the last six month before the final Obama-McCain election. The qualitative ouctome is in reasonable agreement with the prediction of our theory. In fact, the analyses of these data made within the paradigm of our theory indicates that even in this campaign there were chaotic elements where the public opinion migrated in an unpredictable chaotic way. The existence of such a phase of social chaos reflects a main feature of the human being associated with some doubts and uncertainty and especially associated with contrarians which undoubtly exist in any society.
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Vortex line in the unitary Fermi gas
Madeira, Lucas; Vitiello, Silvio A.; Gandolfi, Stefano; ...
2016-04-06
Here, we report diffusion Monte Carlo results for the ground state of unpolarized spin-1/2 fermions in a cylindrical container and properties of the system with a vortex-line excitation. The density profile of the system with a vortex line presents a nonzero density at the core. We also calculate the ground-state energy per particle, the superfluid pairing gap, and the excitation energy per particle. Finally, these simulations can be extended to calculate the properties of vortex excitations in other strongly interacting systems such as superfluid neutron matter using realistic nuclear Hamiltonians.
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Nonperturbative parton distributions and the proton spin problem
DOE Office of Scientific and Technical Information (OSTI.GOV)
Simonov, Yu. A., E-mail: simonov@itep.ru
2016-05-15
The Lorentz contracted form of the static wave functions is used to calculate the valence parton distributions for mesons and baryons, boosting the rest frame solutions of the path integral Hamiltonian. It is argued that nonperturbative parton densities are due to excitedmultigluon baryon states. A simplemodel is proposed for these states ensuring realistic behavior of valence and sea quarks and gluon parton densities at Q{sup 2} = 10 (GeV/c){sup 2}. Applying the same model to the proton spin problem one obtains Σ{sub 3} = 0.18 for the same Q{sup 2}.
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Propagation of sound waves through a spatially homogeneous but smoothly time-dependent medium
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hayrapetyan, A.G., E-mail: armen@physi.uni-heidelberg.de; Max-Planck-Institut für Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg; Grigoryan, K.K.
2013-06-15
The propagation of sound through a spatially homogeneous but non-stationary medium is investigated within the framework of fluid dynamics. For a non-vortical fluid, especially, a generalized wave equation is derived for the (scalar) potential of the fluid velocity distribution in dependence of the equilibrium mass density of the fluid and the sound wave velocity. A solution of this equation for a finite transition period τ is determined in terms of the hypergeometric function for a phenomenologically realistic, sigmoidal change of the mass density and sound wave velocity. Using this solution, it is shown that the energy flux of the soundmore » wave is not conserved but increases always for the propagation through a non-stationary medium, independent of whether the equilibrium mass density is increased or decreased. It is found, moreover, that this amplification of the transmitted wave arises from an energy exchange with the medium and that its flux is equal to the (total) flux of the incident and the reflected wave. An interpretation of the reflected wave as a propagation of sound backward in time is given in close analogy to Feynman and Stueckelberg for the propagation of anti-particles. The reflection and transmission coefficients of sound propagating through a non-stationary medium is analyzed in more detail for hypersonic waves with transition periods τ between 15 and 200 ps as well as the transformation of infrasound waves in non-stationary oceans. -- Highlights: •Analytically exact study of sound propagation through a non-stationary medium. •Energy exchange between the non-stationary medium and the sound wave. •Transformation of hypersonic and ultrasound frequencies in non-stationary media. •Propagation of sound backward in time in close analogy to anti-particles. •Prediction of tsunamis both in spatially and temporally inhomogeneous oceans.« less
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Time-dependent Models of Magnetospheric Accretion onto Young Stars
DOE Office of Scientific and Technical Information (OSTI.GOV)
Robinson, C. E.; Espaillat, C. C.; Owen, J. E.
Accretion onto Classical T Tauri stars is thought to take place through the action of magnetospheric processes, with gas in the inner disk being channeled onto the star’s surface by the stellar magnetic field lines. Young stars are known to accrete material in a time-variable manner, and the source of this variability remains an open problem, particularly on the shortest (∼day) timescales. Using one-dimensional time-dependent numerical simulations that follow the field line geometry, we find that for plausibly realistic young stars, steady-state transonic accretion occurs naturally in the absence of any other source of variability. However, we show that ifmore » the density in the inner disk varies smoothly in time with ∼day-long timescales (e.g., due to turbulence), this complication can lead to the development of shocks in the accretion column. These shocks propagate along the accretion column and ultimately hit the star, leading to rapid, large amplitude changes in the accretion rate. We argue that when these shocks hit the star, the observed time dependence will be a rapid increase in accretion luminosity, followed by a slower decline, and could be an explanation for some of the short-period variability observed in accreting young stars. Our one-dimensional approach bridges previous analytic work to more complicated multi-dimensional simulations and observations.« less
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Evolution in population parameters: density-dependent selection or density-dependent fitness?
Travis, Joseph; Leips, Jeff; Rodd, F Helen
2013-05-01
Density-dependent selection is one of earliest topics of joint interest to both ecologists and evolutionary biologists and thus occupies an important position in the histories of these disciplines. This joint interest is driven by the fact that density-dependent selection is the simplest form of feedback between an ecological effect of an organism's own making (crowding due to sustained population growth) and the selective response to the resulting conditions. This makes density-dependent selection perhaps the simplest process through which we see the full reciprocity between ecology and evolution. In this article, we begin by tracing the history of studying the reciprocity between ecology and evolution, which we see as combining the questions of evolutionary ecology with the assumptions and approaches of ecological genetics. In particular, density-dependent fitness and density-dependent selection were critical concepts underlying ideas about adaptation to biotic selection pressures and the coadaptation of interacting species. However, theory points to a critical distinction between density-dependent fitness and density-dependent selection in their influences on complex evolutionary and ecological interactions among coexisting species. Although density-dependent fitness is manifestly evident in empirical studies, evidence of density-dependent selection is much less common. This leads to the larger question of how prevalent and important density-dependent selection might really be. Life-history variation in the least killifish Heterandria formosa appears to reflect the action of density-dependent selection, and yet compelling evidence is elusive, even in this well-studied system, which suggests some important challenges for understanding density-driven feedbacks between ecology and evolution.
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NASA Astrophysics Data System (ADS)
Shvarts, Dov
2017-10-01
Hydrodynamic instabilities, and the mixing that they cause, are of crucial importance in describing many phenomena, from very large scales such as stellar explosions (supernovae) to very small scales, such as inertial confinement fusion (ICF) implosions. Such mixing causes the ejection of stellar core material in supernovae, and impedes attempts at ICF ignition. The Rayleigh-Taylor instability (RTI) occurs at an accelerated interface between two fluids with the lower density accelerating the higher density fluid. The Richtmyer-Meshkov (RM) instability occurs when a shock wave passes an interface between the two fluids of different density. In the RTI, buoyancy causes ``bubbles'' of the light fluid to rise through (penetrate) the denser fluid, while ``spikes'' of the heavy fluid sink through (penetrate) the lighter fluid. With realistic multi-mode initial conditions, in the deep nonlinear regime, the mixing zone width, H, and its internal structure, progress through an inverse cascade of spatial scales, reaching an asymptotic self-similar evolution: hRT =αRT Agt2 for RT and hRM =αRM tθ for RM. While this characteristic behavior has been known for years, the self-similar parameters αRT and θRM and their dependence on dimensionality and density ratio have continued to be intensively studied and a relatively wide distribution of those values have emerged. This talk will describe recent theoretical advances in the description of this turbulent mixing evolution that sheds light on the spread in αRT and θRM. Results of new and specially designed experiments, done by scientists from several laboratories, were performed recently using NIF, the only facility that is powerful enough to reach the self-similar regime, for quantitative testing of this theoretical advance, will be presented.
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Density-dependence interacts with extrinsic mortality in shaping life histories
Burger, Oskar; Kozłowski, Jan
2017-01-01
The role of extrinsic mortality in shaping life histories is poorly understood. However, substantial evidence suggests that extrinsic mortality interacts with density-dependence in crucial ways. We develop a model combining Evolutionarily Stable Strategies with a projection matrix that allows resource allocation to growth, tissue repairs, and reproduction. Our model examines three cases, with density-dependence acting on: (i) mortality, (ii) fecundity, and (iii) production rate. We demonstrate that density-independent extrinsic mortality influences the rate of aging, age at maturity, growth rate, and adult size provided that density-dependence acts on fertility or juvenile mortality. However, density-independent extrinsic mortality has no effect on these life history traits when density-dependence acts on survival. We show that extrinsic mortality interacts with density-dependence via a compensation mechanism: the higher the extrinsic mortality the lower the strength of density-dependence. However, this compensation fully offsets the effect of extrinsic mortality only if density-dependence acts on survival independently of age. Both the age-pattern and the type of density-dependence are crucial for shaping life history traits. PMID:29049399
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Radical re-appraisal of water structure in hydrophilic confinement.
Soper, Alan K
2013-12-18
The structure of water confined in MCM41 silica cylindrical pores is studied to determine whether confined water is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total neutron scattering from the porous silica, both wet and dry, and computer simulation using a realistic model of the scattering substrate is used. The water in the pore is divided into three regions: core, interfacial and overlap. The average local densities of water in these simulations are found to be about 20% lower than bulk water density, while the density in the core region is below, but closer to, the bulk density. There is a decrease in both local and core densities when the temperature is lowered from 298 K to 210 K. The radical proposal is made here that water in hydrophilic confinement is under significant tension, around -100 MPa, inside the pore.
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Refractive effects and Airy structure in inelastic 16O+12C rainbow scattering
NASA Astrophysics Data System (ADS)
Ohkubo, S.; Hirabayashi, Y.; Ogloblin, A. A.; Gloukhov, Yu. A.; Dem'yanova, A. S.; Trzaska, W. H.
2014-12-01
Inelastic 16O+12C rainbow scattering to the 2+ (4.44 MeV) state of 12C was measured at the incident energies, EL = 170, 181, 200, 260, and 281 MeV. A systematic analysis of the experimental angular distributions was performed using the coupled-channels method with an extended double folding potential derived from realistic wave functions for 12C and 16O calculated with a microscopic α cluster model and a finite-range density-dependent nucleon-nucleon force. The coupled-channels analysis of the measured inelastic-scattering data shows consistently some Airy-like structure in the inelastic-scattering cross sections for the first 2+ state of 12C, which is somewhat obscured and still not clearly visible in the measured data. The Airy minimum was identified from the analysis and the systematic energy evolution of the Airy structure was studied. The Airy minimum in inelastic scattering is found to be shifted backward compared with that in elastic scattering.
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Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
NASA Astrophysics Data System (ADS)
Ge, Qinghui; Mao, Yuezhi; Head-Gordon, Martin
2018-02-01
An energy decomposition analysis (EDA) scheme is developed for understanding the intermolecular interaction involving molecules in their excited states. The EDA utilizes absolutely localized molecular orbitals to define intermediate states and is compatible with excited state methods based on linear response theory such as configuration interaction singles and time-dependent density functional theory. The shift in excitation energy when an excited molecule interacts with the environment is decomposed into frozen, polarization, and charge transfer contributions, and the frozen term can be further separated into Pauli repulsion and electrostatics. These terms can be added to their counterparts obtained from the ground state EDA to form a decomposition of the total interaction energy. The EDA scheme is applied to study a variety of systems, including some model systems to demonstrate the correct behavior of all the proposed energy components as well as more realistic systems such as hydrogen-bonding complexes (e.g., formamide-water, pyridine/pyrimidine-water) and halide (F-, Cl-)-water clusters that involve charge-transfer-to-solvent excitations.
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Stochastic predation events and population persistence in bighorn sheep
Festa-Bianchet, Marco; Coulson, Tim; Gaillard, Jean-Michel; Hogg, John T; Pelletier, Fanie
2006-01-01
Many studies have reported temporal changes in the relative importance of density-dependence and environmental stochasticity in affecting population growth rates, but they typically assume that the predominant factor limiting growth remains constant over long periods of time. Stochastic switches in limiting factors that persist for multiple time-steps have received little attention, but most wild populations may periodically experience such switches. Here, we consider the dynamics of three populations of individually marked bighorn sheep (Ovis canadensis) monitored for 24–28 years. Each population experienced one or two distinct cougar (Puma concolor) predation events leading to population declines. The onset and duration of predation events were stochastic and consistent with predation by specialist individuals. A realistic Markov chain model confirms that predation by specialist cougars can cause extinction of isolated populations. We suggest that such processes may be common. In such cases, predator–prey equilibria may only occur at large geographical and temporal scales, and are unlikely with increasing habitat fragmentation. PMID:16777749
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First-principles many-body investigation of δ-doped titanates
NASA Astrophysics Data System (ADS)
Lechermann, Frank; Obermeyer, Michael
2015-03-01
Studying oxide heterostructures provides the possibility for exploring novel composite materials beyond nature's original conception. In this respect, the doping of Mott-insulating distorted-perovskite titanates such as LaTiO3 and GdTiO3 with a single SrO layer gives rise to a very rich correlated electronic structure. A realistic superlattice survey by means of the charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT) reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. In [001] stacking, an orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO2 layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in δ-doped GdTiO3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers which are coupled antiferromagnetically. Support from the DFG-FOR1346 is acknowledged.
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High-Fidelity Coupled Monte-Carlo/Thermal-Hydraulics Calculations
NASA Astrophysics Data System (ADS)
Ivanov, Aleksandar; Sanchez, Victor; Ivanov, Kostadin
2014-06-01
Monte Carlo methods have been used as reference reactor physics calculation tools worldwide. The advance in computer technology allows the calculation of detailed flux distributions in both space and energy. In most of the cases however, those calculations are done under the assumption of homogeneous material density and temperature distributions. The aim of this work is to develop a consistent methodology for providing realistic three-dimensional thermal-hydraulic distributions by coupling the in-house developed sub-channel code SUBCHANFLOW with the standard Monte-Carlo transport code MCNP. In addition to the innovative technique of on-the fly material definition, a flux-based weight-window technique has been introduced to improve both the magnitude and the distribution of the relative errors. Finally, a coupled code system for the simulation of steady-state reactor physics problems has been developed. Besides the problem of effective feedback data interchange between the codes, the treatment of temperature dependence of the continuous energy nuclear data has been investigated.
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NASA Astrophysics Data System (ADS)
Sousa, Maria A. Z.; Bakic, Predrag R.; Schiabel, Homero; Maidment, Andrew D. A.
2017-03-01
Digital breast tomosynthesis (DBT) has been shown to be an effective imaging tool for breast cancer diagnosis as it provides three-dimensional images of the breast with minimal tissue overlap. The quality of the reconstructed image depends on many factors that can be assessed using uniform or realistic phantoms. In this paper, we created four models of phantoms using an anthropomorphic software breast phantom and compared four methods to evaluate the gray scale response in terms of the contrast, noise and detectability of adipose and glandular tissues binarized according to phantom ground truth. For each method, circular regions of interest (ROIs) were selected with various sizes, quantity and positions inside a square area in the phantom. We also estimated the percent density of the simulated breast and the capability of distinguishing both tissues by receiver operating characteristic (ROC) analysis. Results shows a sensitivity of the methods to the ROI size, placement and to the slices considered.
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Yu, Chuang; Ganapathy, Swapna; Eck, Ernst R H van; Wang, Heng; Basak, Shibabrata; Li, Zhaolong; Wagemaker, Marnix
2017-10-20
Solid-state batteries potentially offer increased lithium-ion battery energy density and safety as required for large-scale production of electrical vehicles. One of the key challenges toward high-performance solid-state batteries is the large impedance posed by the electrode-electrolyte interface. However, direct assessment of the lithium-ion transport across realistic electrode-electrolyte interfaces is tedious. Here we report two-dimensional lithium-ion exchange NMR accessing the spontaneous lithium-ion transport, providing insight on the influence of electrode preparation and battery cycling on the lithium-ion transport over the interface between an argyrodite solid-electrolyte and a sulfide electrode. Interfacial conductivity is shown to depend strongly on the preparation method and demonstrated to drop dramatically after a few electrochemical (dis)charge cycles due to both losses in interfacial contact and increased diffusional barriers. The reported exchange NMR facilitates non-invasive and selective measurement of lithium-ion interfacial transport, providing insight that can guide the electrolyte-electrode interface design for future all-solid-state batteries.
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Valence atom with bohmian quantum potential: the golden ratio approach
2012-01-01
Background The alternative quantum mechanical description of total energy given by Bohmian theory was merged with the concept of the golden ratio and its appearance as the Heisenberg imbalance to provide a new density-based description of the valence atomic state and reactivity charge with the aim of clarifying their features with respect to the so-called DFT ground state and critical charge, respectively. Results The results, based on the so-called double variational algorithm for chemical spaces of reactivity, are fundamental and, among other issues regarding chemical bonding, solve the existing paradox of using a cubic parabola to describe a quadratic charge dependency. Conclusions Overall, the paper provides a qualitative-quantitative explanation of chemical reactivity based on more than half of an electronic pair in bonding, and provide new, more realistic values for the so-called “universal” electronegativity and chemical hardness of atomic systems engaged in reactivity (analogous to the atoms-in-molecules framework). PMID:23146157
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On evaluating the robustness of spatial-proximity-based regionalization methods
NASA Astrophysics Data System (ADS)
Lebecherel, Laure; Andréassian, Vazken; Perrin, Charles
2016-08-01
In absence of streamflow data to calibrate a hydrological model, its parameters are to be inferred by a regionalization method. In this technical note, we discuss a specific class of regionalization methods, those based on spatial proximity, which transfers hydrological information (typically calibrated parameter sets) from neighbor gauged stations to the target ungauged station. The efficiency of any spatial-proximity-based regionalization method will depend on the density of the available streamgauging network, and the purpose of this note is to discuss how to assess the robustness of the regionalization method (i.e., its resilience to an increasingly sparse hydrometric network). We compare two options: (i) the random hydrometrical reduction (HRand) method, which consists in sub-sampling the existing gauging network around the target ungauged station, and (ii) the hydrometrical desert method (HDes), which consists in ignoring the closest gauged stations. Our tests suggest that the HDes method should be preferred, because it provides a more realistic view on regionalization performance.
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Constraints upon the spectral indices of relic gravitational waves by LIGO S5
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Y.; Tong, M. L.; Fu, Z. W.
With LIGO having achieved its design sensitivity and the LIGO S5 strain data being available, constraints on the relic gravitational waves (RGWs) become realistic. The analytical spectrum of RGWs generated during inflation depends sensitively on the initial condition, which is generically described by the index {beta}, the running index {alpha}{sub t}, and the tensor-to-scalar ratio r. By the LIGO S5 data of the cross-correlated two detectors, we obtain constraints on the parameters ({beta},{alpha}{sub t},r). As a main result, we have computed the theoretical signal-to-noise ratio of RGWs for various values of ({beta},{alpha}{sub t},r), using the cross-correlation for the given pairmore » of LIGO detectors. The constraints by the indirect bound on the energy density of RGWs by big bang nucleosynthesis and cosmic microwave background have been obtained, which turn out to be still more stringent than LIGO S5.« less
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Spontaneous supercurrent and φ0 phase shift parallel to magnetized topological insulator interfaces
NASA Astrophysics Data System (ADS)
Alidoust, Mohammad; Hamzehpour, Hossein
2017-10-01
Employing a Keldysh-Eilenberger technique, we theoretically study the generation of a spontaneous supercurrent and the appearance of the φ0 phase shift parallel to uniformly in-plane magnetized superconducting interfaces made of the surface states of a three-dimensional topological insulator. We consider two weakly coupled uniformly magnetized superconducting surfaces where a macroscopic phase difference between the s -wave superconductors can be controlled externally. We find that, depending on the magnetization strength and orientation on each side, a spontaneous supercurrent due to the φ0 states flows parallel to the interface at the nanojunction location. Our calculations demonstrate that nonsinusoidal phase relations of current components with opposite directions result in maximal spontaneous supercurrent at phase differences close to π . We also study the Andreev subgap channels at the interface and show that the spin-momentum locking phenomenon in the surface states can be uncovered through density of states studies. We finally discuss realistic experimental implications of our findings.
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Modeling of Yb3+/Er3+-codoped microring resonators
NASA Astrophysics Data System (ADS)
Vallés, Juan A.; Gălătuş, Ramona
2015-03-01
The performance of a highly Yb3+/Er3+-codoped phosphate glass add-drop microring resonator is numerically analyzed. The model assumes resonant behaviour of both pump and signal powers and the dependences of pump intensity build-up inside the microring resonator and of the signal transfer functions to the device through and drop ports are evaluated. Detailed equations for the evolution of the rare-earth ions levels population densities and the propagation of the optical powers inside the microring resonator are included in the model. Moreover, due to the high dopant concentrations considered, the microscopic statistical formalism based on the statistical average of the excitation probability of the Er3+ ion in a microscopic level has been used to describe energy-transfer inter-atomic mechanisms. Realistic parameters and working conditions are used for the calculations. Requirements to achieve amplification and laser oscillation within these devices are obtainable as a function of rare earth ions concentration and coupling losses.
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Producing coherent excitations in pumped Mott antiferromagnetic insulators
Wang, Yao; Claassen, Martin; Moritz, B.; ...
2017-12-15
Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under realistic pump conditions between transient states and remnant elementary excitations, we performed nonperturbative simulations of various time-resolved spectroscopies. We used the Mott antiferromagnetic insulator as a model platform. The transient dynamics of multi-particle excitations can be attributed to the interplay between Floquet virtual states and a modification of the density of states, in which interactions induce a spectral weight transfer. Using an autocorrelation of the time-dependent spectral function, we showmore » that resonance of the virtual states with the upper Hubbard band in the Mott insulator provides the route towards manipulating the electronic distribution and modifying charge and spin excitations. In conclusion, our results link transient dynamics to the nature of many-body excitations and provide an opportunity to design nonequilibrium states of matter via tuned laser pulses.« less
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Constraints on a scale-dependent bias from galaxy clustering
NASA Astrophysics Data System (ADS)
Amendola, L.; Menegoni, E.; Di Porto, C.; Corsi, M.; Branchini, E.
2017-01-01
We forecast the future constraints on scale-dependent parametrizations of galaxy bias and their impact on the estimate of cosmological parameters from the power spectrum of galaxies measured in a spectroscopic redshift survey. For the latter we assume a wide survey at relatively large redshifts, similar to the planned Euclid survey, as the baseline for future experiments. To assess the impact of the bias we perform a Fisher matrix analysis, and we adopt two different parametrizations of scale-dependent bias. The fiducial models for galaxy bias are calibrated using mock catalogs of H α emitting galaxies mimicking the expected properties of the objects that will be targeted by the Euclid survey. In our analysis we have obtained two main results. First of all, allowing for a scale-dependent bias does not significantly increase the errors on the other cosmological parameters apart from the rms amplitude of density fluctuations, σ8 , and the growth index γ , whose uncertainties increase by a factor up to 2, depending on the bias model adopted. Second, we find that the accuracy in the linear bias parameter b0 can be estimated to within 1%-2% at various redshifts regardless of the fiducial model. The nonlinear bias parameters have significantly large errors that depend on the model adopted. Despite this, in the more realistic scenarios departures from the simple linear bias prescription can be detected with a ˜2 σ significance at each redshift explored. Finally, we use the Fisher matrix formalism to assess the impact od assuming an incorrect bias model and find that the systematic errors induced on the cosmological parameters are similar or even larger than the statistical ones.
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NASA Astrophysics Data System (ADS)
Chakraborty, Sovan; Mirizzi, Alessandro; Saviano, Ninetta; Seixas, David de Sousa
2014-05-01
It has been recently pointed out that by removing the axial symmetry in the "multi-angle effects" associated with the neutrino-neutrino interactions for supernova (SN) neutrinos a new multi-azimuthal-angle (MAA) instability would arise. In particular, for a flux ordering Fνe>Fν ¯e>Fνx, as expected during the SN accretion phase, this instability occurs in the normal neutrino mass hierarchy. However, during this phase, the ordinary matter density can be larger than the neutrino one, suppressing the self-induced conversions. In this regard, we investigate the matter suppression of the MAA effects, performing a linearized stability analysis of the neutrino equations of motion, in the presence of realistic SN density profiles. We compare these results with the numerical solution of the SN neutrino nonlinear evolution equations. Assuming axially symmetric distributions of neutrino momenta, we find that the large matter term strongly inhibits the MAA effects. In particular, the hindrance becomes stronger including realistic forward-peaked neutrino angular distributions. As a result, in our model for a 10.8 M⊙ iron-core SNe, MAA instability does not trigger any flavor conversion during the accretion phase. Instead, for a 8.8 M⊙ O-Ne-Mg core SN model, with lower matter density profile and less forward-peaked angular distributions, flavor conversions are possible also at early times.
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NASA Astrophysics Data System (ADS)
Pascal, Christophe
2006-10-01
Gravitational potential stresses (GPSt) are known to play a first-order role in the state of stress of the Earth's lithosphere. Previous studies focussed mainly on crust elevation and structure and little attention has been paid to modelling GPSt using realistic lithospheric structures. The aim of the present contribution is to quantify gravitational potential energies and stresses associated with stable lithospheric domains. In order to model realistic lithosphere structures, a wide variety of data are considered: surface heat flow, chemical depletion of mantle lithosphere, crustal thickness and elevation. A numerical method is presented which involves classical steady-state heat equations to derive lithosphere thickness, geotherm and density distribution, but additionally requires the studied lithosphere to be isostatically compensated at its base. The impact of varying surface and crustal heat flow, topography, Moho depth and crust density on the signs and magnitudes of predicted GPSt is systematically explored. In clear contrast with what is assumed in most previous studies, modelling results show that the density structure of the mantle lithosphere has a significant impact on the value of the predicted GPSt, in particular in the case of thick lithospheres. Using independent information from the literature, the method was applied to get insights in the state of stress of continental domains with contrasting tectono-thermal ages. The modelling results suggest that in the absence of tectonic stresses Phanerozoic and Proterozoic lithospheres are spontaneously submitted to compression whereas Archean lithospheres are in a neutral to slightly tensile stress state. These findings are in general in good agreement with global stress measurements and observed geoid undulations.
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Equation of state survey of black hole-neutron star mergers
NASA Astrophysics Data System (ADS)
Brege, Wyatt
2016-03-01
By varying across several realistic equations of state in the regime in which most neutron star masses are most likely to appear, we can study how important a role these EOS's play in the properties of the post-merger accretion disk in mixed binary systems. In each system considered, the black hole has a mass of MBH = 7M⊙ and a spin of a* = 0 . 9 , and the neutron star has a mass of 1.2 or 1.4 M⊙. The realistic EOS's chosen satisfy experimental and observational constraints, and explore a wide range of neutron star compactnesses. We will address remaining uncertainties in the NS high-density EOS's and, principally, examine differences in the dynamical ejecta and consider implications for nucleosynthesis.
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Monte Carlo simulation of ferroelectric domain growth
NASA Astrophysics Data System (ADS)
Li, B. L.; Liu, X. P.; Fang, F.; Zhu, J. L.; Liu, J.-M.
2006-01-01
The kinetics of two-dimensional isothermal domain growth in a quenched ferroelectric system is investigated using Monte Carlo simulation based on a realistic Ginzburg-Landau ferroelectric model with cubic-tetragonal (square-rectangle) phase transitions. The evolution of the domain pattern and domain size with annealing time is simulated, and the stability of trijunctions and tetrajunctions of domain walls is analyzed. It is found that in this much realistic model with strong dipole alignment anisotropy and long-range Coulomb interaction, the powerlaw for normal domain growth still stands applicable. Towards the late stage of domain growth, both the average domain area and reciprocal density of domain wall junctions increase linearly with time, and the one-parameter dynamic scaling of the domain growth is demonstrated.
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Investigations on caesium-free alternatives for H{sup −} formation at ion source relevant parameters
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kurutz, U.; Fantz, U.; AG Experimentelle Plasmaphysik, Institut für Physik, Universität Augsburg, 86135 Augsburg
2015-04-08
Negative hydrogen ions are efficiently produced in ion sources by the application of caesium. Due to a thereby induced lowering of the work function of a converter surface a direct conversion of impinging hydrogen atoms and positive ions into negative ions is maintained. However, due to the complex caesium chemistry and dynamics a long-term behaviour is inherent for the application of caesium that affects the stability and reliability of negative ion sources. To overcome these drawbacks caesium-free alternatives for efficient negative ion formation are investigated at the flexible laboratory setup HOMER (HOMogenous Electron cyclotron Resonance plasma). By the usage ofmore » a meshed grid the tandem principle is applied allowing for investigations on material induced negative ion formation under plasma parameters relevant for ion source operation. The effect of different sample materials on the ratio of the negative ion density to the electron density n{sub H{sup −}} /n{sub e} is compared to the effect of a stainless steel reference sample and investigated by means of laser photodetachment in a pressure range from 0.3 to 3 Pa. For the stainless steel sample no surface induced effect on the negative ion density is present and the measured negative ion densities are resulting from pure volume formation and destruction processes. In a first step the dependency of n{sub H{sup −}} /n{sub e} on the sample distance has been investigated for a caesiated stainless steel sample. At a distance of 0.5 cm at 0.3 Pa the density ratio is 3 times enhanced compared to the reference sample confirming the surface production of negative ions. In contrast for the caesium-free material samples, tantalum and tungsten, the same dependency on pressure and distance n{sub H{sup −}} /n{sub e} like for the stainless steel reference sample were obtained within the error margins: A density ratio of around 14.5% is measured at 4.5 cm sample distance and 0.3 Pa, linearly decreasing with decreasing distance to 7% at 1.5 cm. Thus, tantalum and tungsten do not significantly affect the negative ion density. First measurements conducted with LaB{sub 6} as well as with two types of diamond like carbon (DLC) n{sub H{sup −}} /n{sub e} of about 15% at 1 Pa were measured, which is comparable to the density ratio obtained for the stainless steel reference sample. At HOMER a surface induced enhancement of n{sub H{sup −}} is only observed when it exceeds the volume formation of H{sup −} which is also realistic for negative hydrogen ion sources.« less
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Renewable Energy Can Help Reduce Oil Dependency
Arvizu, Dan
2017-12-21
In a speech to the Economic Club of Kansas City on June 23, 2010, NREL Director Dan Arvizu takes a realistic look at how renewable energy can help reduce America's dependence on oil, pointing out that the country gets as much energy from renewable sources now as it does from offshore oil production.
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Effect of Control Blade History, and Axial Coolant Density and Burnup Profiles on BWR Burnup Credit
DOE Office of Scientific and Technical Information (OSTI.GOV)
Marshall, William BJ J
2016-01-01
A technical basis for peak reactivity boiling water reactor (BWR) burnup credit (BUC) methods was recently generated, and the technical basis for extended BWR BUC is now being developed. In this paper, a number of effects related to extended BWR BUC are analyzed, including three major operational effects in BWRs: the coolant density axial distribution, the use of control blades during operation, and the axial burnup profile. Specifically, uniform axial moderator density profiles are analyzed and compared to previous results and an additional temporal fidelity study combing moderator density profiles for three different fuel assemblies is presented. Realistic control blademore » histories and cask criticality results are compared to previously generated constructed control blade histories. Finally, a preliminary study of the axial burnup profile is provided.« less
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Tungsten Transport in the Core of JET H-mode Plasmas, Experiments and Modelling
NASA Astrophysics Data System (ADS)
Angioni, Clemente
2014-10-01
The physics of heavy impurity transport in tokamak plasmas plays an essential role towards the achievement of practical fusion energy. Reliable predictions of the behavior of these impurities require the development of realistic theoretical models and a complete understanding of present experiments, against which models can be validated. Recent experimental campaigns at JET with the ITER-like wall, with a W divertor, provide an extremely interesting and relevant opportunity to perform this combined experimental and theoretical research. Theoretical models of both neoclassical and turbulent transport must consistently include the impact of any poloidal asymmetry of the W density to enable quantitative predictions of the 2D W density distribution over the poloidal cross section. The agreement between theoretical predictions and experimentally reconstructed 2D W densities allows the identification of the main mechanisms which govern W transport in the core of JET H-mode plasmas. Neoclassical transport is largely enhanced by centrifugal effects and the neoclassical convection dominates, leading to central accumulation in the presence of central peaking of the density profiles and insufficiently peaked ion temperature profiles. The strength of the neoclassical temperature screening is affected by poloidal asymmetries. Only around mid-radius, turbulent diffusion offsets neoclassical transport. Consistently with observations in other devices, ion cyclotron resonance heating in the plasma center can flatten the electron density profile and peak the ion temperature profile and provide a means to reverse the neoclassical convection. MHD activity may hamper or speed up the accumulation process depending on mode number and plasma conditions. Finally, the relationship of JET results to a parallel modelling activity of the W behavior in the core of ASDEX Upgrade plasmas is presented. This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement Number 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.
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The density dilemma: limitations on juvenile production in threatened salmon populations
Walters, Annika W.; Copeland, Timothy; Venditti, David A.
2013-01-01
Density-dependent processes have repeatedly been shown to have a central role in salmonid population dynamics, but are often assumed to be negligible for populations at low abundances relative to historical records. Density dependence has been observed in overall spring/summer Snake River Chinook salmon Oncorhynchus tshawytscha production, but it is not clear how patterns observed at the aggregate level relate to individual populations within the basin. We used a Bayesian hierarchical modelling approach to explore the degree of density dependence in juvenile production for nine Idaho populations. Our results indicate that density dependence is ubiquitous, although its strength varies between populations. We also investigated the processes driving the population-level pattern and found density-dependent growth and mortality present for both common life-history strategies, but no evidence of density-dependent movement. Overwinter mortality, spatial clustering of redds and limited resource availability were identified as potentially important limiting factors contributing to density dependence. The ubiquity of density dependence for these threatened populations is alarming as stability at present low abundance levels suggests recovery may be difficult without major changes. We conclude that density dependence at the population level is common and must be considered in demographic analysis and management.
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A laboratory verification sensor
NASA Technical Reports Server (NTRS)
Vaughan, Arthur H.
1988-01-01
The use of a variant of the Hartmann test is described to sense the coalignment of the 36 primary mirror segments of the Keck 10-meter Telescope. The Shack-Hartmann alignment camera is a surface-tilt-error-sensing device, operable with high sensitivity over a wide range of tilt errors. An interferometer, on the other hand, is a surface-height-error-sensing device. In general, if the surface height error exceeds a few wavelengths of the incident illumination, an interferogram is difficult to interpret and loses utility. The Shack-Hartmann aligment camera is, therefore, likely to be attractive as a development tool for segmented mirror telescopes, particularly at early stages of development in which the surface quality of developmental segments may be too poor to justify interferometric testing. The constraints are examined which would define the first-order properties of a Shack-Hartmann alignment camera and the precision and range of measurement one could expect to achieve with it are investigated. Fundamental constraints do arise, however, from consideration of geometrical imaging, diffraction, and the density of sampling of images at the detector array. Geometrical imagining determines the linear size of the image, and depends on the primary mirror diameter and the f-number of a lenslet. Diffraction is another constraint; it depends on the lenslet aperture. Finally, the sampling density at the detector array is important since the number of pixels in the image determines how accurately the centroid of the image can be measured. When these factors are considered under realistic assumptions it is apparent that the first order design of a Shack-Hartmann alignment camera is completely determined by the first-order constraints considered, and that in the case of a 20-meter telescope with seeing-limited imaging, such a camera, used with a suitable detector array, will achieve useful precision.
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NASA Astrophysics Data System (ADS)
Gherm, Vadim E.; Zernov, Nikolay N.; Strangeways, Hal J.
2011-06-01
It can be important to determine the correlation of different frequency signals in L band that have followed transionospheric paths. In the future, both GPS and the new Galileo satellite system will broadcast three frequencies enabling more advanced three frequency correction schemes so that knowledge of correlations of different frequency pairs for scintillation conditions is desirable. Even at present, it would be helpful to know how dual-frequency Global Navigation Satellite Systems positioning can be affected by lack of correlation between the L1 and L2 signals. To treat this problem of signal correlation for the case of strong scintillation, a previously constructed simulator program, based on the hybrid method, has been further modified to simulate the fields for both frequencies on the ground, taking account of their cross correlation. Then, the errors in the two-frequency range finding method caused by scintillation have been estimated for particular ionospheric conditions and for a realistic fully three-dimensional model of the ionospheric turbulence. The results which are presented for five different frequency pairs (L1/L2, L1/L3, L1/L5, L2/L3, and L2/L5) show the dependence of diffractional errors on the scintillation index S4 and that the errors diverge from a linear relationship, the stronger are scintillation effects, and may reach up to ten centimeters, or more. The correlation of the phases at spaced frequencies has also been studied and found that the correlation coefficients for different pairs of frequencies depend on the procedure of phase retrieval, and reduce slowly as both the variance of the electron density fluctuations and cycle slips increase.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Onofri, M.; Malara, F.
2013-10-15
Compressible magnetohydrodynamics simulations of the reversed-field pinch (RFP) are presented. Previous simulations of the RFP, including density and pressure evolution, showed that a stationary state with a reversed toroidal magnetic field could not be obtained, contrary to the results produced with numerical codes neglecting density and pressure dynamics. The simulations described in the present paper show that including density and pressure evolution, a stationary RFP configuration can be obtained if the resistivity has a radial profile steeply increasing close to the wall. Such resistivity profile is more realistic than a uniform resistivity, since the temperature at the wall is lowermore » than in the plasma core.« less
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Asteroid entry in Venusian atmosphere: Pressure and density fields effect on crater formation
NASA Technical Reports Server (NTRS)
Schmidt, Robert
1995-01-01
The objectives are to look at time scales of overpressure compared to cratering and to determine: what are the transient pressure and density due to atmospheric entry; do shock waves evacuate ambient gas; do transient atmospheric disturbances 'settle down' during cratering; can the pressure/density field be approximated as quasi-static; how does disturbance scale with impactor size; and what is the role of atmospheric thickness. The general approach is to perform inexpensive exploratory calculations, perform experiments to validate code and observe crater growth, and to follow up with more realistic coupling calculations. This viewgraph presentation presents progress made with the objective to obtain useful scaling relationships for crater formation when atmospheric effects are important.
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Confusion-limited galaxy fields. I - Simulated optical and near-infrared images
NASA Technical Reports Server (NTRS)
Chokshi, Arati; Wright, Edward L.
1988-01-01
Techniques for simulating images of galaxy fields are presented that extend to high redshifts and a surface density of galaxies high enough to produce overlapping images. The observed properties of galaxies and galaxy-ensembles in the 'local' universe are extrapolated to high redshifts using reasonable scenarios for the evolution of galaxies and their spatial distribution. This theoretical framework is then employed with Monte Carlo techniques to create fairly realistic two-dimensional distributions of galaxies plus optical and near-infrared sky images in a variety of model universes, using the appropriate density, luminosity, and angular size versus redshift relations.
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NASA Astrophysics Data System (ADS)
Chan, A. A.; Ilie, R.; Elkington, S. R.; Albert, J.; Huie, W.
2017-12-01
It has been traditional to separate radiation belt radial-diffusion coefficients into two contributions: an "electrostatic" diffusion coefficient, which is assumed to be due to a potential (non-inductive) electric field, and an "electromagnetic" diffusion coefficient , which is assumed to be due to the combined effect of an inductive electric field and the corresponding time-dependent magnetic field. One difficulty in implementing this separation when using magnetospheric fields obtained from measurements, or from MHD simulations, is that only the total electric field is given; the separation of the electric field into potential and inductive parts is not readily available. In this work we separate the electric field using a numerical method based on the Helmholtz decomposition of the total motional electric field calculated by the BATS-R-US MHD code. The inner boundary for the electric potential is based on the Ridley Ionospheric Model solution and we assume floating boundary conditions in the solar wind. Using different idealized solar wind drivers, including a solar wind density that is oscillating at a single frequency or with a broad spectrum of frequencies, we calculate potential and inductive electric fields, electric and magnetic power spectral densities, and corresponding radial diffusion coefficients. Simulations driven by idealized solar wind conditions show a clear separation of the potential and inductive contributions to the power spectral densities and diffusion coefficients. Simulations with more realistic solar wind drivers are underway to better assess the use of electrostatic and electromagnetic diffusion coefficients in understanding ULF wave-particle interactions in Earth's radiation belts.
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Narrow-line region kinematics in Seyfert nuclei
NASA Astrophysics Data System (ADS)
Moore, David J.
1994-01-01
We present results of a study of narrow-line region (NLR) kinematics in Seyfert nuclei. This study has involved extensive modeling which includes collimated emission, radially dependent rotation and turbulence, explicit photoionization calculations, realistic treatments of both internal and external obscuration, and allows for gradients in the electron density and the radial velocity of clouds throughout the NLR. Line profiles of (O II) lambda 3727, (Ne III) lambda 3869, (O III) lambda 5007, (Fe VII) lambda 6087, (Fe X) lambda 6374, (O I) lambda 6300, H alpha lambda 6563, and (S II) lambda 6731 are calculated for a wide range of physical conditions throughout the NLR. The model profiles are compared with line profiles derived from data taken with the Mount Palomar 5 m Hale Telescope as well as from profiles taken from the literature. The scenario in agreement with the largest of observational considerations consists of clouds which are accelerating outward with v varies as square root of r (i.e., constant force) and ne varies as 1/r2. The cloud start out at the inner NLR radium with ne approximately equal to 106/cu cm and with a very large column density (1023 - 10(exp 24/sq cm). These clouds are uniformly accelerated from a few tens of km/sec to approximately less than 1,000 km/sec. When the clouds reached the outer NLR radius, they have ne approximately greater than 102/cu cm and a column density of 1021-1022/sq cm. The clouds maintain an ionization parameter of about 0.3 throughout the NLR.
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Flockhart, D. T. Tyler; Martin, Tara G.; Norris, D. Ryan
2012-01-01
A central goal of population ecology is to identify the factors that regulate population growth. Monarch butterflies (Danaus plexippus) in eastern North America re-colonize the breeding range over several generations that result in population densities that vary across space and time during the breeding season. We used laboratory experiments to measure the strength of density-dependent intraspecific competition on egg laying rate and larval survival and then applied our results to density estimates of wild monarch populations to model the strength of density dependence during the breeding season. Egg laying rates did not change with density but larvae at high densities were smaller, had lower survival, and weighed less as adults compared to lower densities. Using mean larval densities from field surveys resulted in conservative estimates of density-dependent population reduction that varied between breeding regions and different phases of the breeding season. Our results suggest the highest levels of population reduction due to density-dependent intraspecific competition occur early in the breeding season in the southern portion of the breeding range. However, we also found that the strength of density dependence could be almost five times higher depending on how many life-stages were used as part of field estimates. Our study is the first to link experimental results of a density-dependent reduction in vital rates to observed monarch densities in the wild and show that the effects of density dependent competition in monarchs varies across space and time, providing valuable information for developing robust, year-round population models in this migratory organism. PMID:22984614
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REEXAMINATION OF INDUCTION HEATING OF PRIMITIVE BODIES IN PROTOPLANETARY DISKS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Menzel, Raymond L.; Roberge, Wayne G., E-mail: menzer@rpi.edu, E-mail: roberw@rpi.edu
2013-10-20
We reexamine the unipolar induction mechanism for heating asteroids originally proposed in a classic series of papers by Sonett and collaborators. As originally conceived, induction heating is caused by the 'motional electric field' that appears in the frame of an asteroid immersed in a fully ionized, magnetized solar wind and drives currents through its interior. However, we point out that classical induction heating contains a subtle conceptual error, in consequence of which the electric field inside the asteroid was calculated incorrectly. The problem is that the motional electric field used by Sonett et al. is the electric field in themore » freely streaming plasma far from the asteroid; in fact, the motional field vanishes at the asteroid surface for realistic assumptions about the plasma density. In this paper we revisit and improve the induction heating scenario by (1) correcting the conceptual error by self-consistently calculating the electric field in and around the boundary layer at the asteroid-plasma interface; (2) considering weakly ionized plasmas consistent with current ideas about protoplanetary disks; and (3) considering more realistic scenarios that do not require a fully ionized, powerful T Tauri wind in the disk midplane. We present exemplary solutions for two highly idealized flows that show that the interior electric field can either vanish or be comparable to the fields predicted by classical induction depending on the flow geometry. We term the heating driven by these flows 'electrodynamic heating', calculate its upper limits, and compare them to heating produced by short-lived radionuclides.« less
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Alignment of cellular motility forces with tissue flow as a mechanism for efficient wound healing
Basan, Markus; Elgeti, Jens; Hannezo, Edouard; Rappel, Wouter-Jan; Levine, Herbert
2013-01-01
Recent experiments have shown that spreading epithelial sheets exhibit a long-range coordination of motility forces that leads to a buildup of tension in the tissue, which may enhance cell division and the speed of wound healing. Furthermore, the edges of these epithelial sheets commonly show finger-like protrusions whereas the bulk often displays spontaneous swirls of motile cells. To explain these experimental observations, we propose a simple flocking-type mechanism, in which cells tend to align their motility forces with their velocity. Implementing this idea in a mechanical tissue simulation, the proposed model gives rise to efficient spreading and can explain the experimentally observed long-range alignment of motility forces in highly disordered patterns, as well as the buildup of tensile stress throughout the tissue. Our model also qualitatively reproduces the dependence of swirl size and swirl velocity on cell density reported in experiments and exhibits an undulation instability at the edge of the spreading tissue commonly observed in vivo. Finally, we study the dependence of colony spreading speed on important physical and biological parameters and derive simple scaling relations that show that coordination of motility forces leads to an improvement of the wound healing process for realistic tissue parameters. PMID:23345440
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Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells
DOE Office of Scientific and Technical Information (OSTI.GOV)
Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel
2016-01-14
In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current inmore » doped Ge{sub 2}Sb{sub 2}Te{sub 5} nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.« less
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Quantum Zeno and anti-Zeno effects in open quantum systems
NASA Astrophysics Data System (ADS)
Zhou, Zixian; Lü, Zhiguo; Zheng, Hang; Goan, Hsi-Sheng
2017-09-01
The traditional approach to the quantum Zeno effect (QZE) and quantum anti-Zeno effect (QAZE) in open quantum systems (implicitly) assumes that the bath (environment) state returns to its original state after each instantaneous projective measurement on the system and thus ignores the cross-correlations of the bath operators between different Zeno intervals. However, this assumption is not generally true, especially for a bath with a considerably nonnegligible memory effect and for a system repeatedly projected into an initial general superposition state. We find that, in stark contrast to the result of a constant value found in the traditional approach, the scaled average decay rate in unit Zeno interval of the survival probability is generally time dependent or shows an oscillatory behavior. In the case of a strong bath correlation, the transition between the QZE and the QAZE depends sensitively on the number of measurements N . For a fixed N , a QZE region predicted by the traditional approach may in fact already be in the QAZE region. We illustrate our findings using an exactly solvable open qubit system model with a Lorentzian bath spectral density, which is directly related to realistic circuit cavity quantum electrodynamics systems. Thus the results and dynamics presented here can be verified with current superconducting circuit technology.
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Electron percolation in realistic models of carbon nanotube networks
NASA Astrophysics Data System (ADS)
Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain
2015-09-01
The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.
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Time-dependent diffusion MRI in cancer: tissue modeling and applications
NASA Astrophysics Data System (ADS)
Reynaud, Olivier
2017-11-01
In diffusion weighted imaging (DWI), the apparent diffusion coefficient has been recognized as a useful and sensitive surrogate for cell density, paving the way for non-invasive tumor staging, and characterization of treatment efficacy in cancer. However, microstructural parameters, such as cell size, density and/or compartmental diffusivities affect diffusion in various fashions, making of conventional DWI a sensitive but non-specific probe into changes happening at cellular level. Alternatively, tissue complexity can be probed and quantified using the time dependence of diffusion metrics, sometimes also referred to as temporal diffusion spectroscopy when only using oscillating diffusion gradients. Time-dependent diffusion (TDD) is emerging as a strong candidate for specific and non-invasive tumor characterization. Despite the lack of a general analytical solution for all diffusion times / frequencies, TDD can be probed in various regimes where systems simplify in order to extract relevant information about tissue microstructure. The fundamentals of TDD are first reviewed (a) in the short time regime, disentangling structural and diffusive tissue properties, and (b) near the tortuosity limit, assuming weakly heterogeneous media near infinitely long diffusion times. Focusing on cell bodies (as opposed to neuronal tracts), a simple but realistic model for intracellular diffusion can offer precious insight on diffusion inside biological systems, at all times. Based on this approach, the main three geometrical models implemented so far (IMPULSED, POMACE, VERDICT) are reviewed. Their suitability to quantify cell size, intra- and extracellular spaces (ICS and ECS) and diffusivities are assessed. The proper modeling of tissue membrane permeability – hardly a newcomer in the field, but lacking applications - and its impact on microstructural estimates are also considered. After discussing general issues with tissue modeling and microstructural parameter estimation (i.e. fitting), potential solutions are detailed. The in vivo applications of this new, non-invasive, specific approach in cancer are reviewed, ranging from the characterization of gliomas in rodent brains and observation of time-dependence in breast tissue lesions and prostate cancer, to the recent preclinical evaluation of new treatments efficacy. It is expected that clinical applications of TDD will strongly benefit the community in terms of non-invasive cancer screening.
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The effect of a realistic thermal diffusivity on numerical model of a subducting slab
NASA Astrophysics Data System (ADS)
Maierova, P.; Steinle-Neumann, G.; Cadek, O.
2010-12-01
A number of numerical studies of subducting slab assume simplified (constant or only depth-dependent) models of thermal conductivity. The available mineral physics data indicate, however, that thermal diffusivity is strongly temperature- and pressure-dependent and may also vary among different mantle materials. In the present study, we examine the influence of realistic thermal properties of mantle materials on the thermal state of the upper mantle and the dynamics of subducting slabs. On the basis of the data published in mineral physics literature we compile analytical relationships that approximate the pressure and temperature dependence of thermal diffusivity for major mineral phases of the mantle (olivine, wadsleyite, ringwoodite, garnet, clinopyroxenes, stishovite and perovskite). We propose a simplified composition of mineral assemblages predominating in the subducting slab and the surrounding mantle (pyrolite, mid-ocean ridge basalt, harzburgite) and we estimate their thermal diffusivity using the Hashin-Shtrikman bounds. The resulting complex formula for the diffusivity of each aggregate is then approximated by a simpler analytical relationship that is used in our numerical model as an input parameter. For the numerical modeling we use the Elmer software (open source finite element software for multiphysical problems, see http://www.csc.fi/english/pages/elmer). We set up a 2D Cartesian thermo-mechanical steady-state model of a subducting slab. The model is partly kinematic as the flow is driven by a boundary condition on velocity that is prescribed on the top of the subducting lithospheric plate. Reology of the material is non-linear and is coupled with the thermal equation. Using the realistic relationship for thermal diffusivity of mantle materials, we compute the thermal and flow fields for different input velocity and age of the subducting plate and we compare the results against the models assuming a constant thermal diffusivity. The importance of the realistic description of thermal properties in models of subducted slabs is discussed.
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NASA Astrophysics Data System (ADS)
Staguhn, Johannes G.
2018-05-01
Spectroscopic, cold, space-based mid-to-far-infrared (FIR) missions, such as the Origins Space Telescope, will require large (tens of kilopixels), ultra-sensitive FIR detector arrays with sufficient dynamic range and high-density multiplexing schemes for the readout, in order to optimize the scientific return while staying within a realistic cost range. Issues like power consumption of multiplexers and their readout are significantly more important for space missions than they are for ground-based or suborbital applications. In terms of the detectors and their configuration into large arrays, significant development efforts are needed even for both of the most mature candidate superconducting detector technologies, namely transition edge sensors and (microwave) kinetic inductance detectors. Here we explore both practical and fundamental limits for those technologies in order to lay out a realistic path forward for both technologies. We conclude that beyond the need to enhance the detector sensitivities and pixel numbers by about an order of magnitude over currently existing devices, improved concepts for larger dynamic range and multiplexing density will be needed in order to optimize the scientific return of future cold FIR space missions. Background-limited, very high spectral resolution instruments will require photon-counting detectors.
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Density dependence in demography and dispersal generates fluctuating invasion speeds
Li, Bingtuan; Miller, Tom E. X.
2017-01-01
Density dependence plays an important role in population regulation and is known to generate temporal fluctuations in population density. However, the ways in which density dependence affects spatial population processes, such as species invasions, are less understood. Although classical ecological theory suggests that invasions should advance at a constant speed, empirical work is illuminating the highly variable nature of biological invasions, which often exhibit nonconstant spreading speeds, even in simple, controlled settings. Here, we explore endogenous density dependence as a mechanism for inducing variability in biological invasions with a set of population models that incorporate density dependence in demographic and dispersal parameters. We show that density dependence in demography at low population densities—i.e., an Allee effect—combined with spatiotemporal variability in population density behind the invasion front can produce fluctuations in spreading speed. The density fluctuations behind the front can arise from either overcompensatory population growth or density-dependent dispersal, both of which are common in nature. Our results show that simple rules can generate complex spread dynamics and highlight a source of variability in biological invasions that may aid in ecological forecasting. PMID:28442569
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Bypassing the Kohn-Sham equations with machine learning.
Brockherde, Felix; Vogt, Leslie; Li, Li; Tuckerman, Mark E; Burke, Kieron; Müller, Klaus-Robert
2017-10-11
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn-Sham equations. This should yield substantial savings in computer time, allowing larger systems and/or longer time-scales to be tackled, but attempts to machine-learn this functional have been limited by the need to find its derivative. The present work overcomes this difficulty by directly learning the density-potential and energy-density maps for test systems and various molecules. We perform the first molecular dynamics simulation with a machine-learned density functional on malonaldehyde and are able to capture the intramolecular proton transfer process. Learning density models now allows the construction of accurate density functionals for realistic molecular systems.Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations.
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Gedanken densities and exact constraints in density functional theory.
Perdew, John P; Ruzsinszky, Adrienn; Sun, Jianwei; Burke, Kieron
2014-05-14
Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.
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Convective penetration in a young sun
NASA Astrophysics Data System (ADS)
Pratt, Jane; Baraffe, Isabelle; Goffrey, Tom; MUSIC developers group
2018-01-01
To interpret the high-quality data produced from recent space-missions it is necessary to study convection under realistic stellar conditions. We describe the multi-dimensional, time implicit, fully compressible, hydrodynamic, implicit large eddy simulation code MUSIC. We use MUSIC to study convection during an early stage in the evolution of our sun where the convection zone covers approximately half of the solar radius. This model of the young sun possesses a realistic stratification in density, temperature, and luminosity. We approach convection in a stellar context using extreme value theory and derive a new model for convective penetration, targeted for one-dimensional stellar evolution calculations. This model provides a scenario that can explain the observed lithium abundance in the sun and in solar-like stars at a range of ages.
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ADDING REALISM TO NUCLEAR MATERIAL DISSOLVING ANALYSIS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Williamson, B.
2011-08-15
Two new criticality modeling approaches have greatly increased the efficiency of dissolver operations in H-Canyon. The first new approach takes credit for the linear, physical distribution of the mass throughout the entire length of the fuel assembly. This distribution of mass is referred to as the linear density. Crediting the linear density of the fuel bundles results in using lower fissile concentrations, which allows higher masses to be charged to the dissolver. Also, this approach takes credit for the fact that only part of the fissile mass is wetted at a time. There are multiple assemblies stacked on top ofmore » each other in a bundle. On average, only 50-75% of the mass (the bottom two or three assemblies) is wetted at a time. This means that only 50-75% (depending on operating level) of the mass is moderated and is contributing to the reactivity of the system. The second new approach takes credit for the progression of the dissolving process. Previously, dissolving analysis looked at a snapshot in time where the same fissile material existed both in the wells and in the bulk solution at the same time. The second new approach models multiple consecutive phases that simulate the fissile material moving from a high concentration in the wells to a low concentration in the bulk solution. This approach is more realistic and allows higher fissile masses to be charged to the dissolver.« less
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The Casimir effect for parallel plates revisited
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kawakami, N. A.; Nemes, M. C.; Wreszinski, Walter F.
2007-10-15
The Casimir effect for a massless scalar field with Dirichlet and periodic boundary conditions (bc's) on infinite parallel plates is revisited in the local quantum field theory (lqft) framework introduced by Kay [Phys. Rev. D 20, 3052 (1979)]. The model displays a number of more realistic features than the ones he treated. In addition to local observables, as the energy density, we propose to consider intensive variables, such as the energy per unit area {epsilon}, as fundamental observables. Adopting this view, lqft rejects Dirichlet (the same result may be proved for Neumann or mixed) bc, and accepts periodic bc: inmore » the former case {epsilon} diverges, in the latter it is finite, as is shown by an expression for the local energy density obtained from lqft through the use of the Poisson summation formula. Another way to see this uses methods from the Euler summation formula: in the proof of regularization independence of the energy per unit area, a regularization-dependent surface term arises upon use of Dirichlet bc, but not periodic bc. For the conformally invariant scalar quantum field, this surface term is absent due to the condition of zero trace of the energy momentum tensor, as remarked by De Witt [Phys. Rep. 19, 295 (1975)]. The latter property does not hold in the application to the dark energy problem in cosmology, in which we argue that periodic bc might play a distinguished role.« less
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Nichols, J. H.; Jaworski, M. A.; Schmid, K.
2017-03-09
The WallDYN package has recently been applied to a number of tokamaks to self-consistently model the evolution of mixed-material plasma facing surfaces. A key component of the WallDYN model is the concentration-dependent surface sputtering rate, calculated using SDTRIM.SP. This modeled sputtering rate is strongly influenced by the surface binding energies (SBEs) of the constituent materials, which are well known for pure elements but often are poorly constrained for mixed-materials. This work examines the sensitivity of WallDYN surface evolution calculations to different models for mixed-material SBEs, focusing on the carbon/lithium/oxygen/deuterium system present in NSTX. A realistic plasma background is reconstructed frommore » a high density, H-mode NSTX discharge, featuring an attached outer strike point with local density and temperature of 4 × 10 20 m -3 and 4 eV, respectively. It is found that various mixed-material SBE models lead to significant qualitative and quantitative changes in the surface evolution profile at the outer divertor, with the highest leverage parameter being the C-Li binding model. Uncertainties of order 50%, appearing on time scales relevant to tokamak experiments, highlight the importance of choosing an appropriate mixed-material sputtering representation when modeling the surface evolution of plasma facing components. Lastly, these results are generalized to other fusion-relevant materials with different ranges of SBEs.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Nichols, J. H.; Jaworski, M. A.; Schmid, K.
The WallDYN package has recently been applied to a number of tokamaks to self-consistently model the evolution of mixed-material plasma facing surfaces. A key component of the WallDYN model is the concentration-dependent surface sputtering rate, calculated using SDTRIM.SP. This modeled sputtering rate is strongly influenced by the surface binding energies (SBEs) of the constituent materials, which are well known for pure elements but often are poorly constrained for mixed-materials. This work examines the sensitivity of WallDYN surface evolution calculations to different models for mixed-material SBEs, focusing on the carbon/lithium/oxygen/deuterium system present in NSTX. A realistic plasma background is reconstructed frommore » a high density, H-mode NSTX discharge, featuring an attached outer strike point with local density and temperature of 4 × 10 20 m -3 and 4 eV, respectively. It is found that various mixed-material SBE models lead to significant qualitative and quantitative changes in the surface evolution profile at the outer divertor, with the highest leverage parameter being the C-Li binding model. Uncertainties of order 50%, appearing on time scales relevant to tokamak experiments, highlight the importance of choosing an appropriate mixed-material sputtering representation when modeling the surface evolution of plasma facing components. Lastly, these results are generalized to other fusion-relevant materials with different ranges of SBEs.« less
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Angle Statistics Reconstruction: a robust reconstruction algorithm for Muon Scattering Tomography
NASA Astrophysics Data System (ADS)
Stapleton, M.; Burns, J.; Quillin, S.; Steer, C.
2014-11-01
Muon Scattering Tomography (MST) is a technique for using the scattering of cosmic ray muons to probe the contents of enclosed volumes. As a muon passes through material it undergoes multiple Coulomb scattering, where the amount of scattering is dependent on the density and atomic number of the material as well as the path length. Hence, MST has been proposed as a means of imaging dense materials, for instance to detect special nuclear material in cargo containers. Algorithms are required to generate an accurate reconstruction of the material density inside the volume from the muon scattering information and some have already been proposed, most notably the Point of Closest Approach (PoCA) and Maximum Likelihood/Expectation Maximisation (MLEM) algorithms. However, whilst PoCA-based algorithms are easy to implement, they perform rather poorly in practice. Conversely, MLEM is a complicated algorithm to implement and computationally intensive and there is currently no published, fast and easily-implementable algorithm that performs well in practice. In this paper, we first provide a detailed analysis of the source of inaccuracy in PoCA-based algorithms. We then motivate an alternative method, based on ideas first laid out by Morris et al, presenting and fully specifying an algorithm that performs well against simulations of realistic scenarios. We argue this new algorithm should be adopted by developers of Muon Scattering Tomography as an alternative to PoCA.
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NASA Astrophysics Data System (ADS)
Kunz, Matthew W.; Mouschovias, Telemachos Ch.
2009-03-01
We formulate the problem of the formation and subsequent evolution of fragments (or cores) in magnetically supported, self-gravitating molecular clouds in two spatial dimensions. The six-fluid (neutrals, electrons, molecular and atomic ions, positively charged, negatively charged, and neutral grains) physical system is governed by the radiation, nonideal magnetohydrodynamic equations. The magnetic flux is not assumed to be frozen in any of the charged species. Its evolution is determined by a newly derived generalized Ohm's law, which accounts for the contributions of both elastic and inelastic collisions to ambipolar diffusion and Ohmic dissipation. The species abundances are calculated using an extensive chemical-equilibrium network. Both MRN and uniform grain size distributions are considered. The thermal evolution of the protostellar core and its effect on the dynamics are followed by employing the gray flux-limited diffusion approximation. Realistic temperature-dependent grain opacities are used that account for a variety of grain compositions. We have augmented the publicly available Zeus-MP code to take into consideration all these effects and have modified several of its algorithms to improve convergence, accuracy, and efficiency. Results of magnetic star formation simulations that accurately track the evolution of a protostellar fragment from a density sime103 cm-3 to a density sime1015 cm-3, while rigorously accounting for both nonideal MHD processes and radiative transfer, are presented in a separate paper.
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Phase competition and anomalous thermal evolution in high-temperature superconductors
NASA Astrophysics Data System (ADS)
Yu, Zuo-Dong; Zhou, Yuan; Yin, Wei-Guo; Lin, Hai-Qing; Gong, Chang-De
2017-07-01
The interplay of competing orders is relevant to high-temperature superconductivity known to emerge upon suppression of a parent antiferromagnetic order typically via charge doping. How such interplay evolves at low temperature—in particular at what doping level the zero-temperature quantum critical point (QCP) is located—is still elusive because it is masked by the superconducting state. The QCP had long been believed to follow a smooth extrapolation of the characteristic temperature T* for the strange normal state well above the superconducting transition temperature. However, recently the T* within the superconducting dome was reported to unexpectedly exhibit back-bending likely in the cuprate Bi2Sr2CaCu2O8 +δ . Here we show that the original and revised phase diagrams can be understood in terms of weak and moderate competitions, respectively, between superconductivity and a pseudogap state such as d -density or spin-density wave, based on both Ginzburg-Landau theory and the realistic t -t'-t''-J -V model for the cuprates. We further found that the calculated temperature and doping-level dependence of the quasiparticle spectral gap and Raman response qualitatively agrees with the experiments. In particular, the T* back-bending can provide a simple explanation of the observed anomalous two-step thermal evolution dominated by the superconducting gap and the pseudogap, respectively. Our results imply that the revised phase diagram is likely to take place in high-temperature superconductors.
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Insights from Synthetic Star-forming Regions. I. Reliable Mock Observations from SPH Simulations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Koepferl, Christine M.; Robitaille, Thomas P.; Biscani, Francesco
Through synthetic observations of a hydrodynamical simulation of an evolving star-forming region, we assess how the choice of observational techniques affects the measurements of properties that trace star formation. Testing and calibrating observational measurements requires synthetic observations that are as realistic as possible. In this part of the series (Paper I), we explore different techniques for mapping the distributions of densities and temperatures from the particle-based simulations onto a Voronoi mesh suitable for radiative transfer and consequently explore their accuracy. We further test different ways to set up the radiative transfer in order to produce realistic synthetic observations. We give amore » detailed description of all methods and ultimately recommend techniques. We have found that the flux around 20 μ m is strongly overestimated when blindly coupling the dust radiative transfer temperature with the hydrodynamical gas temperature. We find that when instead assuming a constant background dust temperature in addition to the radiative transfer heating, the recovered flux is consistent with actual observations. We present around 5800 realistic synthetic observations for Spitzer and Herschel bands, at different evolutionary time-steps, distances, and orientations. In the upcoming papers of this series (Papers II, III, and IV), we will test and calibrate measurements of the star formation rate, gas mass, and the star formation efficiency using our realistic synthetic observations.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Devereaux, T. P.; Shvaika, A. M.; Wu, K.
The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong,more » impacting one’s ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.« less
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Devereaux, T. P.; Shvaika, A. M.; Wu, K.; ...
2016-10-25
The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong,more » impacting one’s ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.« less
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Immigration Rates during Population Density Reduction in a Coral Reef Fish
Turgeon, Katrine; Kramer, Donald L.
2016-01-01
Although the importance of density-dependent dispersal has been recognized in theory, few empirical studies have examined how immigration changes over a wide range of densities. In a replicated experiment using a novel approach allowing within-site comparison, we examined changes in immigration rate following the gradual removal of territorial damselfish from a limited area within a much larger patch of continuous habitat. In all sites, immigration occurred at intermediate densities but did not occur before the start of removals and only rarely as density approached zero. In the combined data and in 5 of 7 sites, the number of immigrants was a hump-shaped function of density. This is the first experimental evidence for hump-shaped, density-dependent immigration. This pattern may be more widespread than previously recognized because studies over more limited density ranges have identified positive density dependence at low densities and negative density dependence at high densities. Positive density dependence at low density can arise from limits to the number of potential immigrants and from behavioral preferences for settling near conspecifics. Negative density dependence at high density can arise from competition for resources, especially high quality territories. The potential for non-linear effects of local density on immigration needs to be recognized for robust predictions of conservation reserve function, harvest impacts, pest control, and the dynamics of fragmented populations. PMID:27271081
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Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
NASA Astrophysics Data System (ADS)
Selli, Daniele; Fazio, Gianluca; Di Valentin, Cristiana
2017-10-01
TiO2 nanoparticles (NPs) are nowadays considered fundamental building blocks for many technological applications. Morphology is found to play a key role with spherical NPs presenting higher binding properties and chemical activity. From the experimental point of view, the characterization of these nano-objects is extremely complex, opening a large room for computational investigations. In this work, TiO2 spherical NPs of different sizes (from 300 to 4000 atoms) have been studied with a two-scale computational approach. Global optimization to obtain stable and equilibrated nanospheres was performed with a self-consistent charge density functional tight-binding (SCC-DFTB) simulated annealing process, causing a considerable atomic rearrangement within the nanospheres. Those SCC-DFTB relaxed structures have been then optimized at the DFT(B3LYP) level of theory. We present a systematic and comparative SCC-DFTB vs DFT(B3LYP) study of the structural properties, with particular emphasis on the surface-to-bulk sites ratio, coordination distribution of surface sites, and surface energy. From the electronic point of view, we compare HOMO-LUMO and Kohn-Sham gaps, total and projected density of states. Overall, the comparisons between DFTB and hybrid density functional theory show that DFTB provides a rather accurate geometrical and electronic description of these nanospheres of realistic size (up to a diameter of 4.4 nm) at an extremely reduced computational cost. This opens for new challenges in simulations of very large systems and more extended molecular dynamics.
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Nuclear equation of state for core-collapse supernova simulations with realistic nuclear forces
NASA Astrophysics Data System (ADS)
Togashi, H.; Nakazato, K.; Takehara, Y.; Yamamuro, S.; Suzuki, H.; Takano, M.
2017-05-01
A new table of the nuclear equation of state (EOS) based on realistic nuclear potentials is constructed for core-collapse supernova numerical simulations. Adopting the EOS of uniform nuclear matter constructed by two of the present authors with the cluster variational method starting from the Argonne v18 and Urbana IX nuclear potentials, the Thomas-Fermi calculation is performed to obtain the minimized free energy of a Wigner-Seitz cell in non-uniform nuclear matter. As a preparation for the Thomas-Fermi calculation, the EOS of uniform nuclear matter is modified so as to remove the effects of deuteron cluster formation in uniform matter at low densities. Mixing of alpha particles is also taken into account following the procedure used by Shen et al. (1998, 2011). The critical densities with respect to the phase transition from non-uniform to uniform phase with the present EOS are slightly higher than those with the Shen EOS at small proton fractions. The critical temperature with respect to the liquid-gas phase transition decreases with the proton fraction in a more gradual manner than in the Shen EOS. Furthermore, the mass and proton numbers of nuclides appearing in non-uniform nuclear matter with small proton fractions are larger than those of the Shen EOS. These results are consequences of the fact that the density derivative coefficient of the symmetry energy of our EOS is smaller than that of the Shen EOS.
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Betancourt, Mónica; Fraile, Aurora; Milgroom, Michael G; García-Arenal, Fernando
2016-06-01
The satellite RNAs of cucumber mosaic virus (CMV) that induce systemic necrosis in tomato plants (N-satRNA) multiply to high levels in the infected host while severely depressing CMV accumulation and, hence, its aphid transmission efficiency. As N-satRNAs are transmitted into CMV particles, the conditions for N-satRNA emergence are not obvious. Model analyses with realistic parameter values have predicted that N-satRNAs would invade CMV populations only when transmission rates are high. Here, we tested this hypothesis experimentally by passaging CMV or CMV+N-satRNAs at low or high aphid densities (2 or 8 aphids/plant). As predicted, high aphid densities were required for N-satRNA emergence. The results showed that at low aphid densities, random effects due to population bottlenecks during transmission dominate the epidemiological dynamics of CMV/CMV+N-satRNA. The results suggest that maintaining aphid populations at low density will prevent the emergence of highly virulent CMV+N-satRNA isolates.
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Robust control algorithms for Mars aerobraking
NASA Technical Reports Server (NTRS)
Shipley, Buford W., Jr.; Ward, Donald T.
1992-01-01
Four atmospheric guidance concepts have been adapted to control an interplanetary vehicle aerobraking in the Martian atmosphere. The first two offer improvements to the Analytic Predictor Corrector (APC) to increase its robustness to density variations. The second two are variations of a new Liapunov tracking exit phase algorithm, developed to guide the vehicle along a reference trajectory. These four new controllers are tested using a six degree of freedom computer simulation to evaluate their robustness. MARSGRAM is used to develop realistic atmospheres for the study. When square wave density pulses perturb the atmosphere all four controllers are successful. The algorithms are tested against atmospheres where the inbound and outbound density functions are different. Square wave density pulses are again used, but only for the outbound leg of the trajectory. Additionally, sine waves are used to perturb the density function. The new algorithms are found to be more robust than any previously tested and a Liapunov controller is selected as the most robust control algorithm overall examined.
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NASA Astrophysics Data System (ADS)
Takahashi, Kazue; Denton, Richard E.; Singer, Howard J.
2010-07-01
We have studied the solar cycle variation of equatorial plasma mass density ρeq in the plasma trough at geosynchronous altitude. The density was indirectly determined from the frequency, fT3, of the third harmonic of toroidal standing Alfvén waves detected over a 12 year period from 1980 to 1991 with magnetometers on five Geostationary Operational Environmental Satellites (GOES). Realistic models of the ambient magnetic field and field line mass distribution were used in numerically solving the wave equation to relate fT3 to ρeq. Scanning the magnetometer data in a 30 min time window that moved forward in 10 min steps, we obtained 228,382 fT3 samples equivalent to 1586 days of data. The detection rate of fT3 is highest (˜50%) in the prenoon sector, and fT3 and ρeq samples from this sector were used to examine their dependence on F10.7, Kp, and Dst. Overall, F10.7 exhibits the highest correlation with fT3 and ρeq, implying that the solar UV/EUV control of ion production at the ionospheric height is strongly reflected in mass density variations at geosynchronous orbit. Using 27 day medians computed excluding periods of plasmasphere expansion to geosynchronous orbit and geomagnetic storm, we obtained the empirical formula fT3 (mHz) = 38 - 0.097F10.7 and logρeq (amu cm-3) = 0.42 + 0.0039F10.7, where F10.7 is given in the solar flux units 10-22 W · m-2 · Hz-1. This last formula means that with the 27 day F10.7 in the range of 68-255 in the selected solar cycle, the mass density varied by a factor of ˜5 from ˜5 to ˜26 amu cm-3. During extremely quiet times (Kp averaged using a 3 day time scale <1), for which the plasmasphere may extend out to geosynchronous orbit, and during storm periods (Dst < -50 nT), the mass density may be enhanced beyond these values.
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Magnetohydrodynamic Simulation of a Streamer Beside a Realistic Coronal Hole
NASA Technical Reports Server (NTRS)
Suess, S. T.; Wu, S. T.; Wang, A. H.; Poletto, G.
1994-01-01
Existing models of coronal streamers establish their credibility and act as the initial state for transients. The models have produced satisfactory streamer simulations, but unsatisfactory coronal hole simulations. This is a consequence of the character of the models and the boundary conditions. The models all have higher densities in the magnetically open regions than occur in coronal holes (Noci, et al., 1993).
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Fault Detection of Rotating Machinery using the Spectral Distribution Function
NASA Technical Reports Server (NTRS)
Davis, Sanford S.
1997-01-01
The spectral distribution function is introduced to characterize the process leading to faults in rotating machinery. It is shown to be a more robust indicator than conventional power spectral density estimates, but requires only slightly more computational effort. The method is illustrated with examples from seeded gearbox transmission faults and an analytical model of a defective bearing. Procedures are suggested for implementation in realistic environments.
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Thermospheric Mass Density Specification: Synthesis of Observations and Models
2013-10-21
Simulation Experiments (OSSEs) of the column-integrated ratio of atomic oxygen and molecular nitrogen. Note that OSSEs assimilate, for a given...realistic observing system, synthetically generated observational data often sampled from model simulation results, in place of actually observed values...and molecular oxygen mass mixing ratio). Note that in the TIEGCM the molecular nitrogen mass mixing ratio is specified so that the sum of mixing
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Temporal and spatiotemporal correlation functions for trapped Bose gases
NASA Astrophysics Data System (ADS)
Kohnen, M.; Nyman, R. A.
2015-03-01
Density correlations unambiguously reveal the quantum nature of matter. Here, we study correlations between measurements of density in cold-atom clouds at different times at one position, and also at two separated positions. We take into account the effects of finite-size and -duration measurements made by light beams passing through the atom cloud. We specialize to the case of Bose gases in harmonic traps above critical temperature, for weakly perturbative measurements. For overlapping measurement regions, shot-noise correlations revive after a trap oscillation period. For nonoverlapping regions, bosonic correlations dominate at long times, and propagate at finite speeds. Finally, we give a realistic measurement protocol for performing such experiments.
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Computational predictions of zinc oxide hollow structures
NASA Astrophysics Data System (ADS)
Tuoc, Vu Ngoc; Huan, Tran Doan; Thao, Nguyen Thi
2018-03-01
Nanoporous materials are emerging as potential candidates for a wide range of technological applications in environment, electronic, and optoelectronics, to name just a few. Within this active research area, experimental works are predominant while theoretical/computational prediction and study of these materials face some intrinsic challenges, one of them is how to predict porous structures. We propose a computationally and technically feasible approach for predicting zinc oxide structures with hollows at the nano scale. The designed zinc oxide hollow structures are studied with computations using the density functional tight binding and conventional density functional theory methods, revealing a variety of promising mechanical and electronic properties, which can potentially find future realistic applications.
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NASA Astrophysics Data System (ADS)
Tu, W.; Cunningham, G.; Reeves, G. D.; Chen, Y.; Henderson, M. G.; Blake, J. B.; Baker, D. N.; Spence, H.
2013-12-01
During the October 8-9 2012 storm, the MeV electron fluxes in the heart of the outer radiation belt are first wiped out then exhibit a three-orders-of-magnitude increase on the timescale of hours, as observed by the MagEIS and REPT instruments aboard the Van Allen Probes. There is strong observational evidence that the remarkable enhancement is due to local acceleration by chorus waves, as shown in the recent Science paper by Reeves et al.1. However, the importance of the dynamic electron source population transported in from the plasma sheet, to the observed remarkable enhancement, has not been studied. We illustrate the importance of the source population with our simulation of the event using the DREAM 3D diffusion model. Three new modifications have been implemented in the model: 1) incorporating a realistic and time-dependent low-energy boundary condition at 100 keV obtained from the MagEIS data; 2) utilizing event-specific chorus wave distributions derived from the low-energy electron precipitation observed by POES and validated against the in situ wave data from EMFISIS; 3) using an ';open' boundary condition at L*=11 and implementing electron lifetimes on the order of the drift period outside the solar-wind driven last closed drift shell. The model quantitatively reproduces the MeV electron dynamics during this event, including the fast dropout at the start of Oct. 8th, low electron flux during the first Dst dip, and the remarkable enhancement peaked at L*=4.2 during the second Dst dip. By comparing the model results with realistic source population against those with constant low-energy boundary (see figure), we find that the realistic electron source population is critical to reproduce the observed fast and significant increase of MeV electrons. 1Reeves, G. D., et al. (2013), Electron Acceleration in the Heart of the Van Allen Radiation Belts, Science, DOI:10.1126/science.1237743. Comparison between data and model results during the October 2012 storm for electrons at μ=3168 MeV/G and K=0.1 G1/2Re. Top plot is the electron phase space density data measured by the two Van Allen Probes; middle plot shows the results from the DREAM 3D diffusion model with a realistic electron source population derived from MagEIS data; and the bottom plot is the model results with a constant source population.
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Congestion relaxation due to density-dependent junction rules in TASEP network
NASA Astrophysics Data System (ADS)
Tannai, Takahiro; Nishinari, Katsuhiro
2017-09-01
We now consider a small network module of Totally Asymmetric Simple Exclusion Process with branching and aggregation points, and rules of junctions dependent on the densities of segments of the network module. We also focus on the interaction among junctions which are branching and aggregation. The interaction among junctions with density-dependent rules possesses more complexity than those with density-independent rules studied in the previous papers. In conclusion, we confirm the result that density-dependent rules enable vehicles to move more effectively than the density-independent rules.
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Population-Level Density Dependence Influences the Origin and Maintenance of Parental Care
Reyes, Elijah; Thrasher, Patsy; Bonsall, Michael B.; Klug, Hope
2016-01-01
Parental care is a defining feature of animal breeding systems. We now know that both basic life-history characteristics and ecological factors influence the evolution of care. However, relatively little is known about how these factors interact to influence the origin and maintenance of care. Here, we expand upon previous work and explore the relationship between basic life-history characteristics (stage-specific rates of mortality and maturation) and the fitness benefits associated with the origin and the maintenance of parental care for two broad ecological scenarios: the scenario in which egg survival is density dependent and the case in which adult survival is density dependent. Our findings suggest that high offspring need is likely critical in driving the origin, but not the maintenance, of parental care regardless of whether density dependence acts on egg or adult survival. In general, parental care is more likely to result in greater fitness benefits when baseline adult mortality is low if 1) egg survival is density dependent or 2) adult mortality is density dependent and mutant density is relatively high. When density dependence acts on egg mortality, low rates of egg maturation and high egg densities are less likely to lead to strong fitness benefits of care. However, when density dependence acts on adult mortality, high levels of egg maturation and increasing adult densities are less likely to maintain care. Juvenile survival has relatively little, if any, effect on the origin and maintenance of egg-only care. More generally, our results suggest that the evolution of parental care will be influenced by an organism’s entire life history characteristics, the stage at which density dependence acts, and whether care is originating or being maintained. PMID:27093056
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Faith Inman-Narahari; Rebecca Ostertag; Stephen P. Hubbell; Christian P. Giardina; Susan Cordell; Lawren Sack; Andrew MacDougall
2016-01-01
Conspecific density may contribute to patterns of species assembly through negative density dependence (NDD) as predicted by the Janzen-Connell hypothesis, or through facilitation (positive density dependence; PDD). Conspecific density effects are expected to be more negative in darker and wetter environments due to higher pathogen abundance and...
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Does peripheral quantitative computed tomography ignore tissue density of cancellous bone?
Banse, X; Devogelaer, J P
2002-01-01
The purpose of this work was to determine the capacity of peripheral quantitative computed tomography (pQCT) to accurately measure the true physical properties of vertebral cancellous bone samples and to predict their stiffness. pQCT bone mineral density (BMD) was first measured in ideal conditions. Ten cubic specimens of vertebral cancellous bone (10 x 10 x 10 mm) were washed with a water jet, defatted, and scanned in saline after elimination of air bubbles; thirteen slices were obtained. Seventy-one unprepared cylindrical samples were scanned in more realistic conditions, which allow further biomechanical testing. After extraction from the vertebral body, the samples were pushed into a plastic tube (no effort was made to remove the marrow or air bubbles), and only four slices were obtained to reduce the duration of scan. For the 81 samples, the true bone volume fraction (BV/TV, %), true apparent density (rho(app), g/cm(3)), and tissue density (rho(tiss), g/cm(3)) (an indicator of the degree of mineralization of the matrix) were then measured using Archimedes principle. rho(app) was closely correlated to BV/TV (r(2) = 0.97). rho(tiss) (1.58 +/- 0.08 g/cm(2)) was almost constant but had some influence on rho(app) (r(2) = 0.03, p < 0.001). The pQCT BMD predicted accurately rho(app) (r(2) = 0.96) and BV/TV (r(2) = 0.93) for the cylinders. For the cubes, in ideal conditions, the same correlations were even better (r(2) > 0.99, both). Analysis of covariance indicated no difference (p > 0.05) in the regressions due to preparation of the samples. The stiffness was better predicted by the true rho(app) (r(2) = 0.87) than by BV/TV (r(2) = 0.83), indicating that stiffness was influenced by small differences in the tissue density. Consequently, the correlation between pQCT BMD and stiffness was excellent (r(2) = 0.84). The fact that pQCT did not ignore this tissue density information compensated for the inaccuracies linked to realistic scanning conditions of the cylinder.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Sivasankaran, S., E-mail: sivasankarangs1979@gmail.com; Sivaprasad, K., E-mail: ksp@nitt.edu; Narayanasamy, R., E-mail: narayan@nitt.edu
2011-07-15
Nanocrystalline AA 6061 alloy reinforced with alumina (0, 4, 8, and 12 wt.%) in amorphized state composite powder was synthesized by mechanical alloying and consolidated by conventional powder metallurgy route. The as-milled and as-sintered (573 K and 673 K) nanocomposites were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The peaks corresponding to fine alumina was not observed by XRD patterns due to amorphization. Using high-resolution transmission electron microscope, it is confirmed that the presence of amorphized alumina observed in Al lattice fringes. The crystallite size, lattice strain, deformation stress, and strain energy density of AA 6061 matrixmore » were determined precisely from the first five most intensive reflection of XRD using simple Williamson-Hall models; uniform deformation model, uniform stress deformation model, and uniform energy density deformation model. Among the developed models, uniform energy density deformation model was observed to be the best fit and realistic model for mechanically alloyed powders. This model evidenced the more anisotropic nature of the ball milled powders. The XRD peaks of as-milled powder samples demonstrated a considerable broadening with percentage of reinforcement due to grain refinement and lattice distortions during same milling time (40 h). The as-sintered (673 K) unreinforced AA 6061 matrix crystallite size from well fitted uniform energy density deformation model was 98 nm. The as-milled and as-sintered (673 K) nanocrystallite matrix sizes for 12 wt.% Al{sub 2}O{sub 3} well fitted by uniform energy density deformation model were 38 nm and 77 nm respectively, which indicate that the fine Al{sub 2}O{sub 3} pinned the matrix grain boundary and prevented the grain growth during sintering. Finally, the lattice parameter of Al matrix in as-milled and as-sintered conditions was also investigated in this paper. Research highlights: {yields} Integral breadth methods using various Williamson-Hall models were investigated for line profile analysis. {yields} Uniform energy density deformation model is observed to the best realistic model. {yields} The present analysis is used for understanding the stress and the strain present in the nanocomposites.« less
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Density-Dependent Growth in Invasive Lionfish (Pterois volitans)
Benkwitt, Cassandra E.
2013-01-01
Direct demographic density dependence is necessary for population regulation and is a central concept in ecology, yet has not been studied in many invasive species, including any invasive marine fish. The red lionfish (Pterois volitans) is an invasive predatory marine fish that is undergoing exponential population growth throughout the tropical western Atlantic. Invasive lionfish threaten coral-reef ecosystems, but there is currently no evidence of any natural population control. Therefore, a manipulative field experiment was conducted to test for density dependence in lionfish. Juvenile lionfish densities were adjusted on small reefs and several demographic rates (growth, recruitment, immigration, and loss) were measured throughout an 8-week period. Invasive lionfish exhibited direct density dependence in individual growth rates, as lionfish grew slower at higher densities throughout the study. Individual growth in length declined linearly with increasing lionfish density, while growth in mass declined exponentially with increasing density. There was no evidence, however, for density dependence in recruitment, immigration, or loss (mortality plus emigration) of invasive lionfish. The observed density-dependent growth rates may have implications for which native species are susceptible to lionfish predation, as the size and type of prey that lionfish consume is directly related to their body size. The absence of density-dependent loss, however, contrasts with many native coral-reef fish species and suggests that for the foreseeable future manual removals may be the only effective local control of this invasion. PMID:23825604
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Density-dependent growth in invasive Lionfish (Pterois volitans).
Benkwitt, Cassandra E
2013-01-01
Direct demographic density dependence is necessary for population regulation and is a central concept in ecology, yet has not been studied in many invasive species, including any invasive marine fish. The red lionfish (Pterois volitans) is an invasive predatory marine fish that is undergoing exponential population growth throughout the tropical western Atlantic. Invasive lionfish threaten coral-reef ecosystems, but there is currently no evidence of any natural population control. Therefore, a manipulative field experiment was conducted to test for density dependence in lionfish. Juvenile lionfish densities were adjusted on small reefs and several demographic rates (growth, recruitment, immigration, and loss) were measured throughout an 8-week period. Invasive lionfish exhibited direct density dependence in individual growth rates, as lionfish grew slower at higher densities throughout the study. Individual growth in length declined linearly with increasing lionfish density, while growth in mass declined exponentially with increasing density. There was no evidence, however, for density dependence in recruitment, immigration, or loss (mortality plus emigration) of invasive lionfish. The observed density-dependent growth rates may have implications for which native species are susceptible to lionfish predation, as the size and type of prey that lionfish consume is directly related to their body size. The absence of density-dependent loss, however, contrasts with many native coral-reef fish species and suggests that for the foreseeable future manual removals may be the only effective local control of this invasion.
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Convective penetration in stars
NASA Astrophysics Data System (ADS)
Pratt, Jane; Baraffe, Isabelle; Goffrey, Tom; Constantino, Tom; Popov, M. V.; Walder, Rolf; Folini, Doris; TOFU Collaboration
To interpret the high-quality data produced from recent space-missions it is necessary to study convection under realistic stellar conditions. We describe the multi-dimensional, time implicit, fully compressible, hydrodynamic, implicit large eddy simulation code MUSIC, currently being developed at the University of Exeter. We use MUSIC to study convection during an early stage in the evolution of our sun where the convection zone covers approximately half of the solar radius. This model of the young sun possesses a realistic stratification in density, temperature, and luminosity. We approach convection in a stellar context using extreme value theory and derive a new model for convective penetration, targeted for one-dimensional stellar evolution calculations. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework (FP7/2007-2013)/ERC Grant agreement no. 320478.
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Antony, Jens; Grimme, Stefan; Liakos, Dimitrios G; Neese, Frank
2011-10-20
With dispersion-corrected density functional theory (DFT-D3) intermolecular interaction energies for a diverse set of noncovalently bound protein-ligand complexes from the Protein Data Bank are calculated. The focus is on major contacts occurring between the drug molecule and the binding site. Generalized gradient approximation (GGA), meta-GGA, and hybrid functionals are used. DFT-D3 interaction energies are benchmarked against the best available wave function based results that are provided by the estimated complete basis set (CBS) limit of the local pair natural orbital coupled-electron pair approximation (LPNO-CEPA/1) and compared to MP2 and semiempirical data. The size of the complexes and their interaction energies (ΔE(PL)) varies between 50 and 300 atoms and from -1 to -65 kcal/mol, respectively. Basis set effects are considered by applying extended sets of triple- to quadruple-ζ quality. Computed total ΔE(PL) values show a good correlation with the dispersion contribution despite the fact that the protein-ligand complexes contain many hydrogen bonds. It is concluded that an adequate, for example, asymptotically correct, treatment of dispersion interactions is necessary for the realistic modeling of protein-ligand binding. Inclusion of the dispersion correction drastically reduces the dependence of the computed interaction energies on the density functional compared to uncorrected DFT results. DFT-D3 methods provide results that are consistent with LPNO-CEPA/1 and MP2, the differences of about 1-2 kcal/mol on average (<5% of ΔE(PL)) being on the order of their accuracy, while dispersion-corrected semiempirical AM1 and PM3 approaches show a deviating behavior. The DFT-D3 results are found to depend insignificantly on the choice of the short-range damping model. We propose to use DFT-D3 as an essential ingredient in a QM/MM approach for advanced virtual screening approaches of protein-ligand interactions to be combined with similarly "first-principle" accounts for the estimation of solvation and entropic effects.
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Revisiting the Stability of Spatially Heterogeneous Predator-Prey Systems Under Eutrophication.
Farkas, J Z; Morozov, A Yu; Arashkevich, E G; Nikishina, A
2015-10-01
We employ partial integro-differential equations to model trophic interaction in a spatially extended heterogeneous environment. Compared to classical reaction-diffusion models, this framework allows us to more realistically describe the situation where movement of individuals occurs on a faster time scale than on the demographic (population) time scale, and we cannot determine population growth based on local density. However, most of the results reported so far for such systems have only been verified numerically and for a particular choice of model functions, which obviously casts doubts about these findings. In this paper, we analyse a class of integro-differential predator-prey models with a highly mobile predator in a heterogeneous environment, and we reveal the main factors stabilizing such systems. In particular, we explore an ecologically relevant case of interactions in a highly eutrophic environment, where the prey carrying capacity can be formally set to 'infinity'. We investigate two main scenarios: (1) the spatial gradient of the growth rate is due to abiotic factors only, and (2) the local growth rate depends on the global density distribution across the environment (e.g. due to non-local self-shading). For an arbitrary spatial gradient of the prey growth rate, we analytically investigate the possibility of the predator-prey equilibrium in such systems and we explore the conditions of stability of this equilibrium. In particular, we demonstrate that for a Holling type I (linear) functional response, the predator can stabilize the system at low prey density even for an 'unlimited' carrying capacity. We conclude that the interplay between spatial heterogeneity in the prey growth and fast displacement of the predator across the habitat works as an efficient stabilizing mechanism. These results highlight the generality of the stabilization mechanisms we find in spatially structured predator-prey ecological systems in a heterogeneous environment.
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NASA Astrophysics Data System (ADS)
Cacciato, Marcello; van den Bosch, Frank C.; More, Surhud; Mo, Houjun; Yang, Xiaohu
2013-04-01
We simultaneously constrain cosmology and galaxy bias using measurements of galaxy abundances, galaxy clustering and galaxy-galaxy lensing taken from the Sloan Digital Sky Survey. We use the conditional luminosity function (which describes the halo occupation statistics as a function of galaxy luminosity) combined with the halo model (which describes the non-linear matter field in terms of its halo building blocks) to describe the galaxy-dark matter connection. We explicitly account for residual redshift-space distortions in the projected galaxy-galaxy correlation functions, and marginalize over uncertainties in the scale dependence of the halo bias and the detailed structure of dark matter haloes. Under the assumption of a spatially flat, vanilla Λ cold dark matter (ΛCDM) cosmology, we focus on constraining the matter density, Ωm, and the normalization of the matter power spectrum, σ8, and we adopt 7-year Wilkinson Microwave Anisotropy Probe (WMAP7) priors for the spectral index, n, the Hubble parameter, h, and the baryon density, Ωb. We obtain that Ωm = 0.278+ 0.023- 0.026 and σ8 = 0.763+ 0.064- 0.049 (95 per cent CL). These results are robust to uncertainties in the radial number density distribution of satellite galaxies, while allowing for non-Poisson satellite occupation distributions results in a slightly lower value for σ8 (0.744+ 0.056- 0.047). These constraints are in excellent agreement (at the 1σ level) with the cosmic microwave background constraints from WMAP. This demonstrates that the use of a realistic and accurate model for galaxy bias, down to the smallest non-linear scales currently observed in galaxy surveys, leads to results perfectly consistent with the vanilla ΛCDM cosmology.
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Assessing population exposure for landslide risk analysis using dasymetric cartography
NASA Astrophysics Data System (ADS)
Garcia, Ricardo A. C.; Oliveira, Sergio C.; Zezere, Jose L.
2015-04-01
Exposed Population is a major topic that needs to be taken into account in a full landslide risk analysis. Usually, risk analysis is based on an accounting of inhabitants number or inhabitants density, applied over statistical or administrative terrain units, such as NUTS or parishes. However, this kind of approach may skew the obtained results underestimating the importance of population, mainly in territorial units with predominance of rural occupation. Furthermore, the landslide susceptibility scores calculated for each terrain unit are frequently more detailed and accurate than the location of the exposed population inside each territorial unit based on Census data. These drawbacks are not the ideal setting when landslide risk analysis is performed for urban management and emergency planning. Dasymetric cartography, which uses a parameter or set of parameters to restrict the spatial distribution of a particular phenomenon, is a methodology that may help to enhance the resolution of Census data and therefore to give a more realistic representation of the population distribution. Therefore, this work aims to map and to compare the population distribution based on a traditional approach (population per administrative terrain units) and based on dasymetric cartography (population by building). The study is developed in the Region North of Lisbon using 2011 population data and following three main steps: i) the landslide susceptibility assessment based on statistical models independently validated; ii) the evaluation of population distribution (absolute and density) for different administrative territorial units (Parishes and BGRI - the basic statistical unit in the Portuguese Census); and iii) the dasymetric population's cartography based on building areal weighting. Preliminary results show that in sparsely populated administrative units, population density differs more than two times depending on the application of the traditional approach or the dasymetric cartography. This work was supported by the FCT - Portuguese Foundation for Science and Technology.
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NASA Astrophysics Data System (ADS)
Liu, Daizhong; Daddi, Emanuele; Dickinson, Mark; Owen, Frazer; Pannella, Maurilio; Sargent, Mark; Béthermin, Matthieu; Magdis, Georgios; Gao, Yu; Shu, Xinwen; Wang, Tao; Jin, Shuowen; Inami, Hanae
2018-02-01
We present a new technique to measure multi-wavelength “super-deblended” photometry from highly confused images, which we apply to Herschel and ground-based far-infrared (FIR) and (sub-)millimeter (mm) data in the northern field of the Great Observatories Origins Deep Survey. There are two key novelties. First, starting with a large database of deep Spitzer 24 μm and VLA 20 cm detections that are used to define prior positions for fitting the FIR/submm data, we perform an active selection of useful priors independently at each frequency band, moving from less to more confused bands. Exploiting knowledge of redshift and all available photometry, we identify hopelessly faint priors that we remove from the fitting pool. This approach significantly reduces blending degeneracies and allows reliable photometry to be obtained for galaxies in FIR+mm bands. Second, we obtain well-behaved, nearly Gaussian flux density uncertainties, individually tailored to all fitted priors for each band. This is done by exploiting extensive simulations that allow us to calibrate the conversion of formal fitting uncertainties to realistic uncertainties, depending on directly measurable quantities. We achieve deeper detection limits with high fidelity measurements and uncertainties at FIR+mm bands. As an illustration of the utility of these measurements, we identify 70 galaxies with z≥slant 3 and reliable FIR+mm detections. We present new constraints on the cosmic star formation rate density at 3< z< 6, finding a significant contribution from z≥slant 3 dusty galaxies that are missed by optical-to-near-infrared color selection. Photometric measurements for 3306 priors, including more than 1000 FIR+mm detections, are released publicly with our catalog.
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NASA Astrophysics Data System (ADS)
Tweed, Dylan; Yang, Xiaohu; Wang, Huiyuan; Cui, Weiguang; Zhang, Youcai; Li, Shijie; Jing, Y. P.; Mo, H. J.
2017-05-01
The ELUCID project aims to build a series of realistic cosmological simulations that reproduce the spatial and mass distributions of the galaxies as observed in the Sloan Digital Sky Survey. This requires powerful reconstruction techniques to create constrained initial conditions (ICs). We test the reconstruction method by applying it to several N-body simulations. We use two medium-resolution simulations, which each produced three additional constrained N-body simulations. We compare the resulting friend-of-friend catalogs by using the particle indexes as tracers, and quantify the quality of the reconstruction by varying the main smoothing parameter. The cross-identification method we use proves to be efficient, and the results suggest that the most massive reconstructed halos are effectively traced from the same Lagrangian regions in the ICs. A preliminary time-dependence analysis indicates that high-mass-end halos converge only at a redshift close to the reconstruction redshift. This suggests that, for earlier snapshots, only collections of progenitors may be effectively cross-identified.
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NASA Astrophysics Data System (ADS)
Huang, Chi-Hsien; Igarashi, Makoto; Woné, Michel; Uraoka, Yukiharu; Fuyuki, Takashi; Takeguchi, Masaki; Yamashita, Ichiro; Samukawa, Seiji
2009-04-01
A high-density, large-area, and uniform two-dimensional (2D) Si-nanodisk array was successfully fabricated using the bio-nano-process, advanced etching techniques, including a treatment using nitrogen trifluoride and hydrogen radical (NF3 treatment) and a damage-free chlorine neutral beam (NB). By using the surface oxide formed by neutral beam oxidation (NBO) for the preparation of a 2D nanometer-sized iron core array as an etching mask, a well-ordered 2D Si-nanodisk array was obtained owing to the dangling bonds of the surface oxide. By changing the NF3 treatment time without changing the quantum effect of each nanodisk, we could control the gap between adjacent nanodisks. A device with two electrodes was fabricated to investigate the electron transport in a 2D Si-nanodisk array. Current fluctuation and time-dependent currents were clearly observed owing to the charging-discharging of the nanodisks adjacent to the current percolation path. The new structure may have great potential for future novel quantum effect devices.
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Simultaneous Deployment and Tracking Multi-Robot Strategies with Connectivity Maintenance
Tardós, Javier; Aragues, Rosario; Sagüés, Carlos; Rubio, Carlos
2018-01-01
Multi-robot teams composed of ground and aerial vehicles have gained attention during the last few years. We present a scenario where both types of robots must monitor the same area from different view points. In this paper, we propose two Lloyd-based tracking strategies to allow the ground robots (agents) to follow the aerial ones (targets), keeping the connectivity between the agents. The first strategy establishes density functions on the environment so that the targets acquire more importance than other zones, while the second one iteratively modifies the virtual limits of the working area depending on the positions of the targets. We consider the connectivity maintenance due to the fact that coverage tasks tend to spread the agents as much as possible, which is addressed by restricting their motions so that they keep the links of a minimum spanning tree of the communication graph. We provide a thorough parametric study of the performance of the proposed strategies under several simulated scenarios. In addition, the methods are implemented and tested using realistic robotic simulation environments and real experiments. PMID:29558446
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Dynamic Wavelength-Tunable Photodetector Using Subwavelength Graphene Field-Effect Transistors
Léonard, François; Spataru, Catalin D.; Goldflam, Michael; ...
2017-04-04
The holy grail of photodetector technology is dynamic wavelength tunability. Because of its atomic thickness and unique properties, graphene opens up new paradigms to realize this concept, but so far this has been elusive experimentally. We employ detailed quantum transport modeling of photocurrent in graphene field-effect transistors (including realistic electromagnetic fields) to show that wavelength tunability is possible by dynamically changing the gate voltage. We also reveal the phenomena that govern the behavior of this type of device and show significant departure from the simple expectations based on vertical transitions. We find strong focusing of the electromagnetic fields at themore » contact edges over the same length scale as the band-bending. Both of these spatially-varying potentials lead to an enhancement of non-vertical optical transitions, which dominate even in the absence of phonon or impurity scattering. Furthermore, we show that the vanishing density of states near the Dirac point leads to contact blocking and a gate-dependent modulation of the photocurrent. Several of the effects discussed here should be applicable to a broad range of one- and two-dimensional materials and devices.« less
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Dynamic Wavelength-Tunable Photodetector Using Subwavelength Graphene Field-Effect Transistors
DOE Office of Scientific and Technical Information (OSTI.GOV)
Léonard, François; Spataru, Catalin D.; Goldflam, Michael
The holy grail of photodetector technology is dynamic wavelength tunability. Because of its atomic thickness and unique properties, graphene opens up new paradigms to realize this concept, but so far this has been elusive experimentally. We employ detailed quantum transport modeling of photocurrent in graphene field-effect transistors (including realistic electromagnetic fields) to show that wavelength tunability is possible by dynamically changing the gate voltage. We also reveal the phenomena that govern the behavior of this type of device and show significant departure from the simple expectations based on vertical transitions. We find strong focusing of the electromagnetic fields at themore » contact edges over the same length scale as the band-bending. Both of these spatially-varying potentials lead to an enhancement of non-vertical optical transitions, which dominate even in the absence of phonon or impurity scattering. Furthermore, we show that the vanishing density of states near the Dirac point leads to contact blocking and a gate-dependent modulation of the photocurrent. Several of the effects discussed here should be applicable to a broad range of one- and two-dimensional materials and devices.« less
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Supernova Cosmology Inference with Probabilistic Photometric Redshifts (SCIPPR)
NASA Astrophysics Data System (ADS)
Peters, Christina; Malz, Alex; Hlozek, Renée
2018-01-01
The Bayesian Estimation Applied to Multiple Species (BEAMS) framework employs probabilistic supernova type classifications to do photometric SN cosmology. This work extends BEAMS to replace high-confidence spectroscopic redshifts with photometric redshift probability density functions, a capability that will be essential in the era the Large Synoptic Survey Telescope and other next-generation photometric surveys where it will not be possible to perform spectroscopic follow up on every SN. We present the Supernova Cosmology Inference with Probabilistic Photometric Redshifts (SCIPPR) Bayesian hierarchical model for constraining the cosmological parameters from photometric lightcurves and host galaxy photometry, which includes selection effects and is extensible to uncertainty in the redshift-dependent supernova type proportions. We create a pair of realistic mock catalogs of joint posteriors over supernova type, redshift, and distance modulus informed by photometric supernova lightcurves and over redshift from simulated host galaxy photometry. We perform inference under our model to obtain a joint posterior probability distribution over the cosmological parameters and compare our results with other methods, namely: a spectroscopic subset, a subset of high probability photometrically classified supernovae, and reducing the photometric redshift probability to a single measurement and error bar.
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Motif formation and industry specific topologies in the Japanese business firm network
NASA Astrophysics Data System (ADS)
Maluck, Julian; Donner, Reik V.; Takayasu, Hideki; Takayasu, Misako
2017-05-01
Motifs and roles are basic quantities for the characterization of interactions among 3-node subsets in complex networks. In this work, we investigate how the distribution of 3-node motifs can be influenced by modifying the rules of an evolving network model while keeping the statistics of simpler network characteristics, such as the link density and the degree distribution, invariant. We exemplify this problem for the special case of the Japanese Business Firm Network, where a well-studied and relatively simple yet realistic evolving network model is available, and compare the resulting motif distribution in the real-world and simulated networks. To better approximate the motif distribution of the real-world network in the model, we introduce both subgraph dependent and global additional rules. We find that a specific rule that allows only for the merging process between nodes with similar link directionality patterns reduces the observed excess of densely connected motifs with bidirectional links. Our study improves the mechanistic understanding of motif formation in evolving network models to better describe the characteristic features of real-world networks with a scale-free topology.
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3-D movies using microprocessor-controlled optoelectronic spectacles
NASA Astrophysics Data System (ADS)
Jacobs, Ken; Karpf, Ron
2012-02-01
Despite rapid advances in technology, 3-D movies are impractical for general movie viewing. A new approach that opens all content for casual 3-D viewing is needed. 3Deeps--advanced microprocessor controlled optoelectronic spectacles--provides such a new approach to 3-D. 3Deeps works on a different principle than other methods for 3-D. 3-D movies typically use the asymmetry of dual images to produce stereopsis, necessitating costly dual-image content, complex formatting and transmission standards, and viewing via a corresponding selection device. In contrast, all 3Deeps requires to view movies in realistic depth is an illumination asymmetry--a controlled difference in optical density between the lenses. When a 2-D movie has been projected for viewing, 3Deeps converts every scene containing lateral motion into realistic 3-D. Put on 3Deeps spectacles for 3-D viewing, or remove them for viewing in 2-D. 3Deeps works for all analogue and digital 2-D content, by any mode of transmission, and for projection screens, digital or analogue monitors. An example using aerial photography is presented. A movie consisting of successive monoscopic aerial photographs appears in realistic 3-D when viewed through 3Deeps spectacles.
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Towards a systematic construction of realistic D-brane models on a del Pezzo singularity
NASA Astrophysics Data System (ADS)
Dolan, Matthew J.; Krippendorf, Sven; Quevedo, Fernando
2011-10-01
A systematic approach is followed in order to identify realistic D-brane models at toric del Pezzo singularities. Requiring quark and lepton spectrum and Yukawas from D3 branes and massless hypercharge, we are led to Pati-Salam extensions of the Standard Model. Hierarchies of masses, flavour mixings and control of couplings select higher order del Pezzo singularities, minimising the Higgs sector prefers toric del Pezzos with dP 3 providing the most successful compromise. Then a supersymmetric local string model is presented with the following properties at low energies: (i) the MSSM spectrum plus a local B - L gauge field or additional Higgs fields depending on the breaking pattern, (ii) a realistic hierarchy of quark and lepton masses and (iii) realistic flavour mixing between quark and lepton families with computable CKM and PMNS matrices, and CP violation consistent with observations. In this construction, kinetic terms are diagonal and under calculational control suppressing standard FCNC contributions. Proton decay operators of dimension 4, 5, 6 are suppressed, and gauge couplings can unify depending on the breaking scales from string scales at energies in the range 1012-1016 GeV, consistent with TeV soft-masses from moduli mediated supersymmetry breaking. The GUT scale model corresponds to D3 branes at dP 3 with two copies of the Pati-Salam gauge symmetry SU(4) × SU(2) R × SU(2) L . D-brane instantons generate a non-vanishing μ-term. Right handed sneutrinos can break the B - L symmetry and induce a see-saw mechanism of neutrino masses and R-parity violating operators with observable low-energy implications.
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Pendleton, Richard M.; Hoeinghaus, David J.; Gomes, Luiz C.; Agostinho, Angelo A.
2014-01-01
Experiments with realistic scenarios of species loss from multitrophic ecosystems may improve insight into how biodiversity affects ecosystem functioning. Using 1000 L mesocoms, we examined effects of nonrandom species loss on community structure and ecosystem functioning of experimental food webs based on multitrophic tropical floodplain lagoon ecosystems. Realistic biodiversity scenarios were developed based on long-term field surveys, and experimental assemblages replicated sequential loss of rare species which occurred across all trophic levels of these complex food webs. Response variables represented multiple components of ecosystem functioning, including nutrient cycling, primary and secondary production, organic matter accumulation and whole ecosystem metabolism. Species richness significantly affected ecosystem function, even after statistically controlling for potentially confounding factors such as total biomass and direct trophic interactions. Overall, loss of rare species was generally associated with lower nutrient concentrations, phytoplankton and zooplankton densities, and whole ecosystem metabolism when compared with more diverse assemblages. This pattern was also observed for overall ecosystem multifunctionality, a combined metric representing the ability of an ecosystem to simultaneously maintain multiple functions. One key exception was attributed to time-dependent effects of intraguild predation, which initially increased values for most ecosystem response variables, but resulted in decreases over time likely due to reduced nutrient remineralization by surviving predators. At the same time, loss of species did not result in strong trophic cascades, possibly a result of compensation and complexity of these multitrophic ecosystems along with a dominance of bottom-up effects. Our results indicate that although rare species may comprise minor components of communities, their loss can have profound ecosystem consequences across multiple trophic levels due to a combination of direct and indirect effects in diverse multitrophic ecosystems. PMID:24416246
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[True color accuracy in digital forensic photography].
Ramsthaler, Frank; Birngruber, Christoph G; Kröll, Ann-Katrin; Kettner, Mattias; Verhoff, Marcel A
2016-01-01
Forensic photographs not only need to be unaltered and authentic and capture context-relevant images, along with certain minimum requirements for image sharpness and information density, but color accuracy also plays an important role, for instance, in the assessment of injuries or taphonomic stages, or in the identification and evaluation of traces from photos. The perception of color not only varies subjectively from person to person, but as a discrete property of an image, color in digital photos is also to a considerable extent influenced by technical factors such as lighting, acquisition settings, camera, and output medium (print, monitor). For these reasons, consistent color accuracy has so far been limited in digital photography. Because images usually contain a wealth of color information, especially for complex or composite colors or shades of color, and the wavelength-dependent sensitivity to factors such as light and shadow may vary between cameras, the usefulness of issuing general recommendations for camera capture settings is limited. Our results indicate that true image colors can best and most realistically be captured with the SpyderCheckr technical calibration tool for digital cameras tested in this study. Apart from aspects such as the simplicity and quickness of the calibration procedure, a further advantage of the tool is that the results are independent of the camera used and can also be used for the color management of output devices such as monitors and printers. The SpyderCheckr color-code patches allow true colors to be captured more realistically than with a manual white balance tool or an automatic flash. We therefore recommend that the use of a color management tool should be considered for the acquisition of all images that demand high true color accuracy (in particular in the setting of injury documentation).
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New Heating Mechanism of Asteroids in Protoplanetary Disks
NASA Astrophysics Data System (ADS)
Menzel, Raymond L.; Roberge, W. G.
2013-10-01
Heating of asteroids in the early solar system has been mainly attributed to two mechanisms: the decay of short-lived radionuclides and the unipolar induction mechanism originally proposed in a classic series of papers by Sonett and collaborators. As originally conceived, unipolar induction heating is the result of the dissipation of current inside the body driven by a “motional electric field”, which appears in the asteroid’s reference frame when it is immersed in a fully-ionized, magnetized T-Tauri solar wind. However we point out a subtle conceptual error in the way that the electric field is calculated. Strictly speaking, the motional electric field used by Sonett et al. is the electric field in the free-streaming plasma far from the asteroid. For realistic assumptions about the plasma density in protoplanetary disks, the interaction between the plasma and asteroid cause the formation of a shear layer, in which the motional electric field decreases and even vanishes at the asteroid surface. We reexamine and improve the induction heating mechanism by: (1) correcting this conceptual error by using non-ideal multifluid MHD to self consistently calculate the velocity, magnetic, and electric fields in and around the shear layer; and (2) considering more realistic environments and scenarios that are consistent with current theories about protoplanetary disks. We present solutions for two highly idealized flows, which demonstrate that the electric field inside the asteroid is actually produced by magnetic field gradients in the shear layer, and can either vanish or be comparable to the fields predicted by Sonett et al. depending on the flow geometry. We term this new mechanism “electrodynamic heating”, calculate its possible upper limits, and compare them to heating generated by the decay of short-lived radionuclides.
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NASA Astrophysics Data System (ADS)
Schulz, E.; Grasso, F.; Le Hir, P.; Verney, R.; Thouvenin, B.
2018-01-01
Understanding the sediment dynamics in an estuary is important for its morphodynamic and ecological assessment as well as, in case of an anthropogenically controlled system, for its maintenance. However, the quantification of sediment fluxes and budgets is extremely difficult from in-situ data and requires thoroughly validated numerical models. In the study presented here, sediment fluxes and budgets in the lower Seine Estuary were quantified and investigated from seasonal to annual time scales with respect to realistic hydro- and meteorological conditions. A realistic three-dimensional process-based hydro- and sediment-dynamic model was used to quantify mud and sand fluxes through characteristic estuarine cross-sections. In addition to a reference experiment with typical forcing, three experiments were carried out and analyzed, each differing from the reference experiment in either river discharge or wind and waves so that the effects of these forcings could be separated. Hydro- and meteorological conditions affect the sediment fluxes and budgets in different ways and at different locations. Single storm events induce strong erosion in the lower estuary and can have a significant effect on the sediment fluxes offshore of the Seine Estuary mouth, with the flux direction depending on the wind direction. Spring tides cause significant up-estuary fluxes at the mouth. A high river discharge drives barotropic down-estuary fluxes at the upper cross-sections, but baroclinic up-estuary fluxes at the mouth and offshore so that the lower estuary gains sediment during wet years. This behavior is likely to be observed worldwide in estuaries affected by density gradients and turbidity maximum dynamics.
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fire in the field: simulating the threshold of galaxy formation
NASA Astrophysics Data System (ADS)
Fitts, Alex; Boylan-Kolchin, Michael; Elbert, Oliver D.; Bullock, James S.; Hopkins, Philip F.; Oñorbe, Jose; Wetzel, Andrew; Wheeler, Coral; Faucher-Giguère, Claude-André; Kereš, Dušan; Skillman, Evan D.; Weisz, Daniel R.
2017-11-01
We present a suite of 15 cosmological zoom-in simulations of isolated dark matter haloes, all with masses of Mhalo ≈ 1010 M⊙ at z = 0, in order to understand the relationship among halo assembly, galaxy formation and feedback's effects on the central density structure in dwarf galaxies. These simulations are part of the Feedback in Realistic Environments (fire) project and are performed at extremely high resolution (mbaryon = 500 M⊙, mdm = 2500 M⊙). The resultant galaxies have stellar masses that are consistent with rough abundance matching estimates, coinciding with the faintest galaxies that can be seen beyond the virial radius of the Milky Way (M*/M⊙ ≈ 105 - 107). This non-negligible spread in stellar mass at z = 0 in haloes within a narrow range of virial masses is strongly correlated with central halo density or maximum circular velocity Vmax, both of which are tightly linked to halo formation time. Much of this dependence of M* on a second parameter (beyond Mhalo) is a direct consequence of the Mhalo ˜ 1010 M⊙ mass scale coinciding with the threshold for strong reionization suppression: the densest, earliest-forming haloes remain above the UV-suppression scale throughout their histories while late-forming systems fall below the UV-suppression scale over longer periods and form fewer stars as a result. In fact, the latest-forming, lowest-concentration halo in our suite fails to form any stars. Haloes that form galaxies with M⋆ ≳ 2 × 106 M⊙ have reduced central densities relative to dark-matter-only simulations, and the radial extent of the density modifications is well-approximated by the galaxy half-mass radius r1/2. Lower-mass galaxies do not modify their host dark matter haloes at the mass scale studied here. This apparent stellar mass threshold of M⋆ ≈ 2 × 106 - 2 × 10- 4 Mhalo is broadly consistent with previous work and provides a testable prediction of fire feedback models in Λcold dark matter.
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NASA Astrophysics Data System (ADS)
Gkioulidou, M.; Wang, C.; Lyons, L. R.; Wolf, R.
2009-12-01
Transport of plasma sheet particles into the inner magnetosphere is strongly affected by the penetration of the convection electric field, which is the result of the large-scale magnetosphere ionosphere electromagnetic coupling. This transport, on the other hand, results in plasma heating and magnetic field stretching, which become very significant in the inner plasma sheet (inside 20 RE). We have previously run simulations with the Rice Convection Model (RCM), using the Tsyganenko 96 magnetic field model, to investigate how the earthward penetration of electric field depends on plasma sheet conditions. Outer proton and electron sources at r ~20 RE, are based on 11 years of Geotail data, and realistically represent the mixture of cold and hot plasma sheet population as a function of MLT and interplanetary conditions. We found that shielding of the inner magnetosphere electric field is more efficient for a colder and denser plasma sheet, which is found following northward IMF, than for the hotter and more tenuous plasma sheet found following southward IMF. Our simulation results so far indicate further earthward penetration of plasma sheet particles in response to enhanced convection if the preceding IMF is southward, which leads to weaker electric field shielding. Recently we have integrated the RCM with a magnetic field solver to obtain magnetic fields that are in force balance with given plasma pressures in the equatorial plane. We expect the self-consistent magnetic field to have a pronounced dawn dusk asymmetry due to the asymmetric inner magnetospheric pressure. This should affect the radial distance and MLT of plasma sheet penetration into the inner magnetosphere. We are currently using this force-balanced and self-consistent model with our realistic boundary conditions to evaluate the dependence of the shielding timescale on pre-existing plasma sheet number density and temperature and to more quantitatively determine the correlation between the plasma sheet conditions and spatial distribution of the penetrating particles. Our results are potentially crucial to understanding the contribution of plasma sheet penetration to the development of the storm-time ring current.
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Karslake, Jason; Maltas, Jeff; Brumm, Peter; Wood, Kevin B
2016-10-01
The inoculum effect (IE) is an increase in the minimum inhibitory concentration (MIC) of an antibiotic as a function of the initial size of a microbial population. The IE has been observed in a wide range of bacteria, implying that antibiotic efficacy may depend on population density. Such density dependence could have dramatic effects on bacterial population dynamics and potential treatment strategies, but explicit measures of per capita growth as a function of density are generally not available. Instead, the IE measures MIC as a function of initial population size, and population density changes by many orders of magnitude on the timescale of the experiment. Therefore, the functional relationship between population density and antibiotic inhibition is generally not known, leaving many questions about the impact of the IE on different treatment strategies unanswered. To address these questions, here we directly measured real-time per capita growth of Enterococcus faecalis populations exposed to antibiotic at fixed population densities using multiplexed computer-automated culture devices. We show that density-dependent growth inhibition is pervasive for commonly used antibiotics, with some drugs showing increased inhibition and others decreased inhibition at high densities. For several drugs, the density dependence is mediated by changes in extracellular pH, a community-level phenomenon not previously linked with the IE. Using a simple mathematical model, we demonstrate how this density dependence can modulate population dynamics in constant drug environments. Then, we illustrate how time-dependent dosing strategies can mitigate the negative effects of density-dependence. Finally, we show that these density effects lead to bistable treatment outcomes for a wide range of antibiotic concentrations in a pharmacological model of antibiotic treatment. As a result, infections exceeding a critical density often survive otherwise effective treatments.
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Maltas, Jeff; Brumm, Peter; Wood, Kevin B.
2016-01-01
The inoculum effect (IE) is an increase in the minimum inhibitory concentration (MIC) of an antibiotic as a function of the initial size of a microbial population. The IE has been observed in a wide range of bacteria, implying that antibiotic efficacy may depend on population density. Such density dependence could have dramatic effects on bacterial population dynamics and potential treatment strategies, but explicit measures of per capita growth as a function of density are generally not available. Instead, the IE measures MIC as a function of initial population size, and population density changes by many orders of magnitude on the timescale of the experiment. Therefore, the functional relationship between population density and antibiotic inhibition is generally not known, leaving many questions about the impact of the IE on different treatment strategies unanswered. To address these questions, here we directly measured real-time per capita growth of Enterococcus faecalis populations exposed to antibiotic at fixed population densities using multiplexed computer-automated culture devices. We show that density-dependent growth inhibition is pervasive for commonly used antibiotics, with some drugs showing increased inhibition and others decreased inhibition at high densities. For several drugs, the density dependence is mediated by changes in extracellular pH, a community-level phenomenon not previously linked with the IE. Using a simple mathematical model, we demonstrate how this density dependence can modulate population dynamics in constant drug environments. Then, we illustrate how time-dependent dosing strategies can mitigate the negative effects of density-dependence. Finally, we show that these density effects lead to bistable treatment outcomes for a wide range of antibiotic concentrations in a pharmacological model of antibiotic treatment. As a result, infections exceeding a critical density often survive otherwise effective treatments. PMID:27764095
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Comparison of Hall Thruster Plume Expansion Model with Experimental Data
2006-05-23
focus of this study, is a hybrid particle- in-cell ( PIC ) model that tracks particles along an unstructured tetrahedral mesh. * Research Engineer...measurements of the ion current density profile, ion energy distributions, and ion species fraction distributions using a nude Faraday probe, retarding...Vol.37 No.1. 6 Oh, D. and Hastings, D., “Three Dimensional PIC -DSMC Simulations of Hall Thruster Plumes and Analysis for Realistic Spacecraft
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Quantitative Analysis of Bone Microstructure Using Tomosynthesis
2013-10-01
resolution of separation, thickness, distances, in-plane and out-of-plane geometric distortion, and density linearity. 5 To assess the minimum spacing... geometric accuracy phantom was created using four 1 mm beads, placed in four corners at 35 mm apart (Figure 1f). An embedded human vertebra was also...included in the phantom as a realistic reference material (Figure 1g). Figure 1: Tray of phantoms to assess DTS resolution, geometric distortion
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Quantitative Analysis of Bone Microstructure Using Tomosynthesis
2012-10-01
resolution of separation, thickness, distances, in-plane and out-of-plane geometric distortion, and density linearity. To assess the minimum spacing...volume, a geometric accuracy phantom was created using four 1 mm beads, placed in four corners at 35 mm apart (Figure 1f). An embedded human vertebra...was also included in the phantom as a realistic reference material (Figure 1g). Figure 1: Tray of phantoms to assess DTS resolution, geometric
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Electronic structure of alloys
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ehrenreich, H.; Schwartz, L.M.
1976-01-01
The description of electronic properties of binary substitutional alloys within the single particle approximation is reviewed. Emphasis is placed on a didactic exposition of the equilibrium properties of the transport and magnetic properties of such alloys. Topics covered include: multiple scattering theory; the single band alloy; formal extensions of the theory; the alloy potential; realistic model state densities; the s-d model; and the muffin tin model. 43 figures, 3 tables, 151 references. (GHT)
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Huang, J; Loeffler, M; Muehle, U; Moeller, W; Mulders, J J L; Kwakman, L F Tz; Van Dorp, W F; Zschech, E
2018-01-01
A Ga focused ion beam (FIB) is often used in transmission electron microscopy (TEM) analysis sample preparation. In case of a crystalline Si sample, an amorphous near-surface layer is formed by the FIB process. In order to optimize the FIB recipe by minimizing the amorphization, it is important to predict the amorphous layer thickness from simulation. Molecular Dynamics (MD) simulation has been used to describe the amorphization, however, it is limited by computational power for a realistic FIB process simulation. On the other hand, Binary Collision Approximation (BCA) simulation is able and has been used to simulate ion-solid interaction process at a realistic scale. In this study, a Point Defect Density approach is introduced to a dynamic BCA simulation, considering dynamic ion-solid interactions. We used this method to predict the c-Si amorphization caused by FIB milling on Si. To validate the method, dedicated TEM studies are performed. It shows that the amorphous layer thickness predicted by the numerical simulation is consistent with the experimental data. In summary, the thickness of the near-surface Si amorphization layer caused by FIB milling can be well predicted using the Point Defect Density approach within the dynamic BCA model. Copyright © 2017 Elsevier B.V. All rights reserved.
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Using the MCNP Taylor series perturbation feature (efficiently) for shielding problems
NASA Astrophysics Data System (ADS)
Favorite, Jeffrey
2017-09-01
The Taylor series or differential operator perturbation method, implemented in MCNP and invoked using the PERT card, can be used for efficient parameter studies in shielding problems. This paper shows how only two PERT cards are needed to generate an entire parameter study, including statistical uncertainty estimates (an additional three PERT cards can be used to give exact statistical uncertainties). One realistic example problem involves a detailed helium-3 neutron detector model and its efficiency as a function of the density of its high-density polyethylene moderator. The MCNP differential operator perturbation capability is extremely accurate for this problem. A second problem involves the density of the polyethylene reflector of the BeRP ball and is an example of first-order sensitivity analysis using the PERT capability. A third problem is an analytic verification of the PERT capability.
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Heat-assisted magnetic recording of bit-patterned media beyond 10 Tb/in2
NASA Astrophysics Data System (ADS)
Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter; Praetorius, Dirk
2016-03-01
The limits of areal storage density that is achievable with heat-assisted magnetic recording are unknown. We addressed this central question and investigated the areal density of bit-patterned media. We analyzed the detailed switching behavior of a recording bit under various external conditions, allowing us to compute the bit error rate of a write process (shingled and conventional) for various grain spacings, write head positions, and write temperatures. Hence, we were able to optimize the areal density yielding values beyond 10 Tb/in2. Our model is based on the Landau-Lifshitz-Bloch equation and uses hard magnetic recording grains with a 5-nm diameter and 10-nm height. It assumes a realistic distribution of the Curie temperature of the underlying material, grain size, as well as grain and head position.
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NASA Astrophysics Data System (ADS)
Heister, Timo; Dannberg, Juliane; Gassmöller, Rene; Bangerth, Wolfgang
2017-08-01
Computations have helped elucidate the dynamics of Earth's mantle for several decades already. The numerical methods that underlie these simulations have greatly evolved within this time span, and today include dynamically changing and adaptively refined meshes, sophisticated and efficient solvers, and parallelization to large clusters of computers. At the same time, many of the methods - discussed in detail in a previous paper in this series - were developed and tested primarily using model problems that lack many of the complexities that are common to the realistic models our community wants to solve today. With several years of experience solving complex and realistic models, we here revisit some of the algorithm designs of the earlier paper and discuss the incorporation of more complex physics. In particular, we re-consider time stepping and mesh refinement algorithms, evaluate approaches to incorporate compressibility, and discuss dealing with strongly varying material coefficients, latent heat, and how to track chemical compositions and heterogeneities. Taken together and implemented in a high-performance, massively parallel code, the techniques discussed in this paper then allow for high resolution, 3-D, compressible, global mantle convection simulations with phase transitions, strongly temperature dependent viscosity and realistic material properties based on mineral physics data.
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A statistical survey of heat input parameters into the cusp thermosphere
NASA Astrophysics Data System (ADS)
Moen, J. I.; Skjaeveland, A.; Carlson, H. C.
2017-12-01
Based on three winters of observational data, we present those ionosphere parameters deemed most critical to realistic space weather ionosphere and thermosphere representation and prediction, in regions impacted by variability in the cusp. The CHAMP spacecraft revealed large variability in cusp thermosphere densities, measuring frequent satellite drag enhancements, up to doublings. The community recognizes a clear need for more realistic representation of plasma flows and electron densities near the cusp. Existing average-value models produce order of magnitude errors in these parameters, resulting in large under estimations of predicted drag. We fill this knowledge gap with statistics-based specification of these key parameters over their range of observed values. The EISCAT Svalbard Radar (ESR) tracks plasma flow Vi , electron density Ne, and electron, ion temperatures Te, Ti , with consecutive 2-3 minute windshield-wipe scans of 1000x500 km areas. This allows mapping the maximum Ti of a large area within or near the cusp with high temporal resolution. In magnetic field-aligned mode the radar can measure high-resolution profiles of these plasma parameters. By deriving statistics for Ne and Ti , we enable derivation of thermosphere heating deposition under background and frictional-drag-dominated magnetic reconnection conditions. We separate our Ne and Ti profiles into quiescent and enhanced states, which are not closely correlated due to the spatial structure of the reconnection foot point. Use of our data-based parameter inputs can make order of magnitude corrections to input data driving thermosphere models, enabling removal of previous two fold drag errors.
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Spatial variation and density-dependent dispersal in competitive coexistence.
Amarasekare, Priyanga
2004-01-01
It is well known that dispersal from localities favourable to a species' growth and reproduction (sources) can prevent competitive exclusion in unfavourable localities (sinks). What is perhaps less well known is that too much emigration can undermine the viability of sources and cause regional competitive exclusion. Here, I investigate two biological mechanisms that reduce the cost of dispersal to source communities. The first involves increasing the spatial variation in the strength of competition such that sources can withstand high rates of emigration; the second involves reducing emigration from sources via density-dependent dispersal. I compare how different forms of spatial variation and modes of dispersal influence source viability, and hence source-sink coexistence, under dominance and pre-emptive competition. A key finding is that, while spatial variation substantially reduces dispersal costs under both types of competition, density-dependent dispersal does so only under dominance competition. For instance, when spatial variation in the strength of competition is high, coexistence is possible (regardless of the type of competition) even when sources experience high emigration rates; when spatial variation is low, coexistence is restricted even under low emigration rates. Under dominance competition, density-dependent dispersal has a strong effect on coexistence. For instance, when the emigration rate increases with density at an accelerating rate (Type III density-dependent dispersal), coexistence is possible even when spatial variation is quite low; when the emigration rate increases with density at a decelerating rate (Type II density-dependent dispersal), coexistence is restricted even when spatial variation is quite high. Under pre-emptive competition, density-dependent dispersal has only a marginal effect on coexistence. Thus, the diversity-reducing effects of high dispersal rates persist under pre-emptive competition even when dispersal is density dependent, but can be significantly mitigated under dominance competition if density-dependent dispersal is Type III rather than Type II. These results lead to testable predictions about source-sink coexistence under different regimes of competition, spatial variation and dispersal. They identify situations in which density-independent dispersal provides a reasonable approximation to species' dispersal patterns, and those under which consideration of density-dependent dispersal is crucial to predicting long-term coexistence. PMID:15306322
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Reynolds, Sara A; Brassil, Chad E
2013-12-21
Single-species population models often include density-dependence phenomenologically in order to approximate higher order mechanisms. Here we consider the common scenario in which density-dependence acts via depletion of a renewed resource. When the response of the resource is very quick relative to that of the consumer, the consumer dynamics can be captured by a single-species, density-dependent model. Time scale separation is used to show analytically how the shape of the density-dependent relationship depends on the type of resource and the form of the functional response. Resource types of abiotic, biotic, and biotic with migration are considered, in combination with linear and saturating functional responses. In some cases, we derive familiar forms of single-species models, adding to the justification for their use. In other scenarios novel forms of density-dependence are derived, for example an abiotic resource and a saturating functional response can result in a nonlinear density-dependent relationship in the associated single-species model of the consumer. In this case, the per capita relationship has both concave-up and concave-down sections. © 2013 Published by Elsevier Ltd. All rights reserved.
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Forrester, Graham E; Finley, Rachel J
2006-05-01
Various predator-prey, host-pathogen, and competitive interactions can combine to cause density dependence in population growth. Despite this possibility, most empirical tests for density-dependent interactions have focused on single mechanisms. Here we tested the hypothesis that two mechanisms of density dependence, parasitism and a shortage of refuges, jointly influence the strength of density-dependent mortality. We used mark-recapture analysis to estimate mortality of the host species, the bridled goby (Coryphopterus glaucofraenum). Sixty-three marked gobies were infected with a copepod gill parasite (Pharodes tortugensis), and 188 were uninfected. We used the spatial scale at which gobies were clustered naturally (approximately 4 m2) as an ecologically relevant neighborhood and measured goby density and the availability of refuges from predators within each goby's neighborhood. Goby survival generally declined with increasing density, and this decline was steeper for gobies with access to few refuges than for gobies in neighborhoods where refuges were common. The negative effects of high density and refuge shortage were also more severe for parasitized gobies than for gobies free of parasites. This parasite has characteristics typical of emerging diseases and appears to have altered the strength of a preexisting density-dependent interaction.
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NASA Astrophysics Data System (ADS)
Zhang, Binquan; Mille, Matthew; Xu, X. George
2008-07-01
In vivo radiobioassay is integral to many health physics and radiological protection programs dealing with internal exposures. The Bottle Manikin Absorber (BOMAB) physical phantom has been widely used for whole-body counting calibrations. However, the shape of BOMAB phantoms—a collection of plastic, cylindrical shells which contain no bones or internal organs—does not represent realistic human anatomy. Furthermore, workers who come in contact with radioactive materials have rather different body shape and size. To date, there is a lack of understanding about how the counting efficiency would change when the calibrated counter is applied to a worker with complicated internal organs or tissues. This paper presents a study on various in vivo counting efficiencies obtained from Monte Carlo simulations of two BOMAB phantoms and three tomographic image-based models (VIP-Man, NORMAN and CNMAN) for a scenario involving homogeneous whole-body radioactivity contamination. The results reveal that a phantom's counting efficiency is strongly dependent on the shape and size of a phantom. Contrary to what was expected, it was found that only small differences in efficiency were observed when the density and material composition of all internal organs and tissues of the tomographic phantoms were changed to water. The results of this study indicate that BOMAB phantoms with appropriately adjusted size and shape can be sufficient for whole-body counting calibrations when the internal contamination is homogeneous.
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A realistic host-vector transmission model for describing malaria prevalence pattern.
Mandal, Sandip; Sinha, Somdatta; Sarkar, Ram Rup
2013-12-01
Malaria continues to be a major public health concern all over the world even after effective control policies have been employed, and considerable understanding of the disease biology have been attained, from both the experimental and modelling perspective. Interactions between different general and local processes, such as dependence on age and immunity of the human host, variations of temperature and rainfall in tropical and sub-tropical areas, and continued presence of asymptomatic infections, regulate the host-vector interactions, and are responsible for the continuing disease prevalence pattern.In this paper, a general mathematical model of malaria transmission is developed considering short and long-term age-dependent immunity of human host and its interaction with pathogen-infected mosquito vector. The model is studied analytically and numerically to understand the role of different parameters related to mosquitoes and humans. To validate the model with a disease prevalence pattern in a particular region, real epidemiological data from the north-eastern part of India was used, and the effect of seasonal variation in mosquito density was modelled based on local climactic data. The model developed based on general features of host-vector interactions, and modified simply incorporating local environmental factors with minimal changes, can successfully explain the disease transmission process in the region. This provides a general approach toward modelling malaria that can be adapted to control future outbreaks of malaria.
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NASA Astrophysics Data System (ADS)
Baehr, Hans; Klahr, Hubert
2015-12-01
Protoplanetary disks fragment due to gravitational instability when there is enough mass for self-gravitation, described by the Toomre parameter, and when heat can be lost at a rate comparable to the local dynamical timescale, described by {t}{{c}}=β {{{Ω }}}-1. Simulations of self-gravitating disks show that the cooling parameter has a rough critical value at {β }{{crit}}=3. When below {β }{{crit}}, gas overdensities will contract under their own gravity and fragment into bound objects while otherwise maintaining a steady state of gravitoturbulence. However, previous studies of the critical cooling parameter have found dependences on simulation resolution, indicating that the simulation of self-gravitating protoplanetary disks is not so straightforward. In particular, the simplicity of the cooling timescale tc prevents fragments from being disrupted by pressure support as temperatures rise. We alter the cooling law so that the cooling timescale is dependent on local surface density fluctuations, which is a means of incorporating optical depth effects into the local cooling of an object. For lower resolution simulations, this results in a lower critical cooling parameter and a disk that is more stable to gravitational stresses, suggesting that the formation of large gas giants planets in large, cool disks is generally suppressed by more realistic cooling. At our highest resolution, however, the model becomes unstable to fragmentation for cooling timescales up to β =10.
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Mantle convection with plates and mobile, faulted plate margins.
Zhong, S; Gurnis, M
1995-02-10
A finite-element formulation of faults has been incorporated into time-dependent models of mantle convection with realistic rheology, continents, and phase changes. Realistic tectonic plates naturally form with self-consistent coupling between plate and mantle dynamics. After the initiation of subduction, trenches rapidly roll back with subducted slabs temporarily laid out along the base of the transition zone. After the slabs have penetrated into the lower mantle, the velocity of trench migration decreases markedly. The inhibition of slab penetration into the lower mantle by the 670-kilometer phase change is greatly reduced in these models as compared to models without tectonic plates.
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Theoretical Study of Diamond-Like Carbons and Nucleation of Diamond
NASA Astrophysics Data System (ADS)
Lee, Choon-Heung
Different forms of amorphous carbon and hydrocarbons with varying elastic and optical properties, hardness, density and hydrogen content exist depending on the preparation technique. The structure can vary from graphitic to diamond -like, i.e., from mainly threefold coordinated to mainly four-fold coordinated. In order to study the properties of such materials, microscopic models must be developed. These studies include the modelling of crosslinked defective graphite, diamond nucleation along the graphite edges, and diamond-like carbons. Tamor's proposed structure for diamondlike carbon consists of crosslinked graphitic regions. We studied a concrete realization of this model in which the cross -links are produced by shortening the interplanar bond lengths. The model study was accomplished with a pure rhombohedral graphite cell. For this study we used a semi-empirical potential based on Tersoff's environment-dependent potential which contains angular terms. It is enhanced by a long-range potential which describes the interplanar interactions. We found a configuration corresponding to a local minimum. More general features such as the randomness of the distribution of cross-links are needed for a realistic model. A model study of diamond/graphite interfaces was motivated by recent observations by Li and Angus. They observed a significant enhancement of diamond nucleation on the graphite edge planes with the preferential orientation relationship: {0001} _{g} | {111 }_{d}, < 1120 >_{g} | < 101>_{d}. Two possible interface structures were studied using the Tersoff potential. We found that the models have comparable low interface energies even if they contain some dangling bonds. Moreover, lower interface energies were found when the dangling bonds of the non-bonded diamond layer were satisfied with hydrogen. We have proposed a growth mechanism based on this study. Finally, we constructed realistic models of dense amorphous carbon. The WWW (introduced earlier for a-Si by Wooten, Winer and Weaire) model was the starting structure. The effects of clustering of the threefold coordinated atoms in pairs, chains, or graphitic (planar hexagonal clusters) were studied. The resulting models were relaxed using the Tersoff potential. Their electronic structures were studied using an empirical tight-binding scheme with parameters adjusted to reproduce the diamond and graphite band-structures. The models were found to have densities of ~ 3 g/cm^3 and bulk moduli of ~3.1 Mbar. Localized dangling bonds and pi - pi^* states were found within the wide gap of the WWW model consistent with optical gaps of the order of 0.5-2 eV. Hydrogen atoms were introduced to remove some of the dangling bonds. The models were found to account for the essential features of ion-beam deposited amorphous carbon and hydrogenated amorphous carbon.
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Thouand, Gérald; Durand, Marie-José; Maul, Armand; Gancet, Christian; Blok, Han
2011-01-01
The European REACH Regulation (Registration, Evaluation, Authorization of CHemical substances) implies, among other things, the evaluation of the biodegradability of chemical substances produced by industry. A large set of test methods is available including detailed information on the appropriate conditions for testing. However, the inoculum used for these tests constitutes a “black box.” If biodegradation is achievable from the growth of a small group of specific microbial species with the substance as the only carbon source, the result of the test depends largely on the cell density of this group at “time zero.” If these species are relatively rare in an inoculum that is normally used, the likelihood of inoculating a test with sufficient specific cells becomes a matter of probability. Normally this probability increases with total cell density and with the diversity of species in the inoculum. Furthermore the history of the inoculum, e.g., a possible pre-exposure to the test substance or similar substances will have a significant influence on the probability. A high probability can be expected for substances that are widely used and regularly released into the environment, whereas a low probability can be expected for new xenobiotic substances that have not yet been released into the environment. Be that as it may, once the inoculum sample contains sufficient specific degraders, the performance of the biodegradation will follow a typical S shaped growth curve which depends on the specific growth rate under laboratory conditions, the so called F/M ratio (ratio between food and biomass) and the more or less toxic recalcitrant, but possible, metabolites. Normally regulators require the evaluation of the growth curve using a simple approach such as half-time. Unfortunately probability and biodegradation half-time are very often confused. As the half-time values reflect laboratory conditions which are quite different from environmental conditions (after a substance is released), these values should not be used to quantify and predict environmental behavior. The probability value could be of much greater benefit for predictions under realistic conditions. The main issue in the evaluation of probability is that the result is not based on a single inoculum from an environmental sample, but on a variety of samples. These samples can be representative of regional or local areas, climate regions, water types, and history, e.g., pristine or polluted. The above concept has provided us with a new approach, namely “Probabio.” With this approach, persistence is not only regarded as a simple intrinsic property of a substance, but also as the capability of various environmental samples to degrade a substance under realistic exposure conditions and F/M ratio. PMID:21863143
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Confirmation of the modified Bean model from simulations of superconducting vortices
DOE Office of Scientific and Technical Information (OSTI.GOV)
Richardson, R.A.; Pla, O.; Nori, F.
From a very simple description of vortices and pinning centers, we obtain nonlinear density profiles of vortices in type-II dirty superconductors that result from changing an external magnetic field. The results confirm a modified Bean model description of these systems, following the Kim empirical form that relates the current inside the material to the local magnetic field. We also obtain realistic magnetization hysteresis loops and examine the discrete evolution of the density profiles in our systems. This evolution is not continuous, but takes place by the occurrence of avalanches of vortices promoted by the addition or extraction of vortices frommore » the edges of the system.« less
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High quality factor graphene varactors for wireless sensing applications
NASA Astrophysics Data System (ADS)
Koester, Steven J.
2011-10-01
A graphene wireless sensor concept is described. By utilizing thin gate dielectrics, the capacitance in a metal-insulator-graphene structure varies with charge concentration through the quantum capacitance effect. Simulations using realistic structural and transport parameters predict quality factors, Q, >60 at 1 GHz. When placed in series with an ideal inductor, a resonant frequency tuning ratio of 25% (54%) is predicted for sense charge densities ranging from 0.32 to 1.6 μC/cm2 at an equivalent oxide thickness of 2.0 nm (0.5 nm). The resonant frequency has a temperature sensitivity, df/dT, less than 0.025%/K for sense charge densities >0.32 μC/cm2.
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Kelley M. Stewart; R. Terry Bowyer; Brian L. Dick; Bruce K. Johnson; John G. Kie
2005-01-01
Density dependence plays a key role in life-history characteristics and population ecology of large, herbivorous mammals. We designed a manipulative experiment to test hypotheses relating effects of density-dependent mechanisms on physical condition and fecundity of North American elk (Cervus elaphus) by creating populations at low and high density...
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Surface currents associated with external kink modes in tokamak plasmas during a major disruption
NASA Astrophysics Data System (ADS)
Ng, C. S.; Bhattacharjee, A.
2017-10-01
The surface current on the plasma-vacuum interface during a disruption event involving kink instability can play an important role in driving current into the vacuum vessel. However, there have been disagreements over the nature or even the sign of the surface current in recent theoretical calculations based on idealized step-function background plasma profiles. We revisit such calculations by replacing step-function profiles with more realistic profiles characterized by a strong but finite gradient along the radial direction. It is shown that the resulting surface current is no longer a delta-function current density, but a finite and smooth current density profile with an internal structure, concentrated within the region with a strong plasma pressure gradient. Moreover, this current density profile has peaks of both signs, unlike the delta-function case with a sign opposite to, or the same as the plasma current. We show analytically and numerically that such current density can be separated into two parts, with one of them, called the convective current density, describing the transport of the background plasma density by the displacement, and the other part that remains, called the residual current density. It is argued that consideration of both types of current density is important and can resolve past controversies.
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NASA Astrophysics Data System (ADS)
Peplowski, Patrick N.; Wilson, Jack T.; Beck, Andrew W.; Burks, Morgan; Goldsten, John O.; Lawrence, David J.
2018-01-01
Gamma-ray spectroscopy investigations characterize the chemical composition of planetary surfaces by measuring element-characteristic gamma rays with energies of ∼100 keV to ∼9 MeV. Over this energy range, the mean free path of a gamma ray varies from about 1 to 25 cm, therefore gamma-ray measurements sample subsurface composition. Many elements emit gamma rays at multiple, often widely spaced energies, so gamma-ray measurements can in principle also be used to identify depth-dependent variations in subsurface composition. We report results from laboratory measurements and radiation transport modeling designed to demonstrate this capability. The laboratory measurements verified the presence of depth-dependent gamma-ray signatures, and were then used to benchmark radiation transport simulations that were used to model realistic Mars-like scenarios. The models indicate that compositionally distinct subsurface deposits, buried to depths of ∼80 cm (125 g/cm2), can be identified using gamma-ray measurements. Going beyond identification to characterization (burial depth, relative composition of the layers) of the deposits requires knowledge of the vertical and horizontal variability in the water content of the near-surface surface materials, the local Galactic Cosmic Ray environment (magnitude and energy distribution), the depth-dependent neutron flux, gamma-ray production cross sections, and knowledge of the composition and column density of the atmosphere. The results of our experiments and models provided a basis for examining the utility of using orbiter- and lander-based gamma-ray measurements to identify subsurface deposits on Mars.
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Laboratory simulation of vehicle-plasma interaction in low Earth orbit
NASA Astrophysics Data System (ADS)
Svenes, K. R.; Troim, J.
1994-01-01
We have performed simulations in a plasma chamber of the interaction between a stationary charged body and a streaming plasma. The plasma was set up so as to correspond to the conditions encountered in low Earth orbit (LEO). In this paper we will concentrate on the region of decreased ion density, downstream of the body, known as the `wake' region. The extent of the `near-wake' region (`closure distance') has been utilized to investigate the relative importance of the various factors influencing the formation of the complete wake region. As expected, both the Mach number and the body potential had a significant influence on the wake formation. In fact, it was verified that in the case of the circular disc the functional dependence of the closure distance on the Mach number and the body potential may be fitted to a semi-empirical form developed by Martin et al., (1991) on the basis of numerical simulations. However, it turned out that the general structure of the wake region as well as the closure distance was also very strongly dependent on the body geometry. This is due to the fact that both the magnitude and the distribution of the resulting electric fields are dependent both on the applied voltage and the geometry of the particular body. Hence, the path of the streaming plasma particles will be different for each of the various geometries. This has the consequence that any realistic simulation study of spacecraft-plasma interactions must take into account the detailed geometric specification of the particular system under consideration.
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Riffet, Vanessa; Vidal, Julien
2017-06-01
The search for functional materials is currently hindered by the difficulty to find significant correlation between constitutive properties of a material and its functional properties. In the case of amorphous materials, the diversity of local structures, chemical composition, impurities and mass densities makes such a connection difficult to be addressed. In this Letter, the relation between refractive index and composition has been investigated for amorphous AlO x materials, including nonstoichiometric AlO x , emphasizing the role of structural defects and the absence of effect of the band gap variation. It is found that the Newton-Drude (ND) relation predicts the refractive index from mass density with a rather high level of precision apart from some structures displaying structural defects. Our results show especially that O- and Al-based defects act as additive local disturbance in the vicinity of band gap, allowing us to decouple the mass density effects from defect effects (n = n[ND] + Δn defect ).
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Phase competition and anomalous thermal evolution in high-temperature superconductors
Yu, Zuo-Dong; Zhou, Yuan; Yin, Wei-Guo; ...
2017-07-12
The interplay of competing orders is relevant to high-temperature superconductivity known to emerge upon suppression of a parent antiferromagnetic order typically via charge doping. How such interplay evolves at low temperature—in particular at what doping level the zero-temperature quantum critical point (QCP) is located—is still elusive because it is masked by the superconducting state. The QCP had long been believed to follow a smooth extrapolation of the characteristic temperature T * for the strange normal state well above the superconducting transition temperature. However, recently the T * within the superconducting dome was reported to unexpectedly exhibit back-bending likely in themore » cuprate Bi 2 Sr 2 CaCu 2 O 8 + δ . We show that the original and revised phase diagrams can be understood in terms of weak and moderate competitions, respectively, between superconductivity and a pseudogap state such as d -density or spin-density wave, based on both Ginzburg-Landau theory and the realistic t - t ' - t ' ' - J - V model for the cuprates. We further found that the calculated temperature and doping-level dependence of the quasiparticle spectral gap and Raman response qualitatively agrees with the experiments. Particularly, the T * back-bending can provide a simple explanation of the observed anomalous two-step thermal evolution dominated by the superconducting gap and the pseudogap, respectively. These results imply that the revised phase diagram is likely to take place in high-temperature superconductors.« less
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Eisenring, Michael; Meissle, Michael; Hagenbucher, Steffen; Naranjo, Steven E; Wettstein, Felix; Romeis, Jörg
2017-01-01
In its defense against herbivores, cotton ( Gossypium sp.) relies in part on the production of a set of inducible, non-volatile terpenoids. Under uniform damage levels, in planta allocation of induced cotton terpenoids has been found to be highest in youngest leaves, supporting assumptions of the optimal defense theory (ODT) which predicts that plants allocate defense compounds to tissues depending on their value and the likelihood of herbivore attack. However, our knowledge is limited on how varying, and thus more realistic, damage levels might affect cotton defense organization. We hypothesized that the allocation of terpenoids and densities of terpenoid-storing glands in leaves aligns with assumptions of the ODT, even when plants are subjected to temporally, spatially and quantitatively varying caterpillar ( Heliothis virescens ) damage. As expected, cotton plants allocated most of their defenses to their youngest leaves regardless of damage location. However, defense induction in older leaves varied with damage location. For at least 14 days after damage treatments ended, plants reallocated defense resources from previously young leaves to newly developed leaves. Furthermore, we observed a positive hyperbolic relationship between leaf damage area and both terpenoid concentrations and gland densities, indicating that cotton plants can fine-tune defense allocation. Although it appears that factors like vascular constraints and chemical properties of individual defense compounds can affect defense levels, our results overall demonstrate that induced defense organization of cotton subjected to varying damage treatments is in alignment with key assumptions of the ODT.
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Eisenring, Michael; Meissle, Michael; Hagenbucher, Steffen; Naranjo, Steven E.; Wettstein, Felix; Romeis, Jörg
2017-01-01
In its defense against herbivores, cotton (Gossypium sp.) relies in part on the production of a set of inducible, non-volatile terpenoids. Under uniform damage levels, in planta allocation of induced cotton terpenoids has been found to be highest in youngest leaves, supporting assumptions of the optimal defense theory (ODT) which predicts that plants allocate defense compounds to tissues depending on their value and the likelihood of herbivore attack. However, our knowledge is limited on how varying, and thus more realistic, damage levels might affect cotton defense organization. We hypothesized that the allocation of terpenoids and densities of terpenoid-storing glands in leaves aligns with assumptions of the ODT, even when plants are subjected to temporally, spatially and quantitatively varying caterpillar (Heliothis virescens) damage. As expected, cotton plants allocated most of their defenses to their youngest leaves regardless of damage location. However, defense induction in older leaves varied with damage location. For at least 14 days after damage treatments ended, plants reallocated defense resources from previously young leaves to newly developed leaves. Furthermore, we observed a positive hyperbolic relationship between leaf damage area and both terpenoid concentrations and gland densities, indicating that cotton plants can fine-tune defense allocation. Although it appears that factors like vascular constraints and chemical properties of individual defense compounds can affect defense levels, our results overall demonstrate that induced defense organization of cotton subjected to varying damage treatments is in alignment with key assumptions of the ODT. PMID:28270830
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Komarov, Pavel V; Khalatur, Pavel G; Khokhlov, Alexei R
2013-01-01
Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic) and minority (hydrophilic) subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25-50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT)-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping) mechanism as a significant contributor to the proton conductivity.
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Ultrahigh energy neutrino afterglows of nearby long duration gamma-ray bursts
NASA Astrophysics Data System (ADS)
Thomas, Jessymol K.; Moharana, Reetanjali; Razzaque, Soebur
2017-11-01
Detection of ultrahigh energy (UHE, ≳1 PeV ) neutrinos from astrophysical sources will be a major advancement in identifying and understanding the sources of UHE cosmic rays (CRs) in nature. Long duration gamma-ray burst (GRB) blast waves have been considered as potential acceleration sites of UHECRs. These CRs are expected to interact with GRB afterglow photons, which are synchrotron radiation from relativistic electrons coaccelerated with CRs in the blast wave, and naturally produce UHE neutrinos. Fluxes of these neutrinos are uncertain, however, and crucially depend on the observed afterglow modeling. We have selected a sample of 23 long duration GRBs within redshift 0.5 for which adequate electromagnetic afterglow data are available and which could produce high flux of UHE afterglow neutrinos, being nearby. We fit optical, x-ray, and γ -ray afterglow data with an adiabatic blast wave model in a constant density interstellar medium and in a wind environment where the density of the wind decreases as the inverse square of the radius from the center of the GRB. The blast wave model parameters extracted from these fits are then used for calculating UHECR acceleration and p γ interactions to produce UHE neutrino fluxes from these GRBs. We have also explored the detectability of these neutrinos by currently running and upcoming large area neutrino detectors, such as the Pierre Auger Observatory, IceCube Gen-2, and KM3NeT observatories. We find that our realistic flux models from nearby GRBs will be unconstrained in the foreseeable future.
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Nuclear Reactions in the Crusts of Accreting Neutron Stars
NASA Astrophysics Data System (ADS)
Lau, R.; Beard, M.; Gupta, S. S.; Schatz, H.; Afanasjev, A. V.; Brown, E. F.; Deibel, A.; Gasques, L. R.; Hitt, G. W.; Hix, W. R.; Keek, L.; Möller, P.; Shternin, P. S.; Steiner, A. W.; Wiescher, M.; Xu, Y.
2018-05-01
X-ray observations of transiently accreting neutron stars during quiescence provide information about the structure of neutron star crusts and the properties of dense matter. Interpretation of the observational data requires an understanding of the nuclear reactions that heat and cool the crust during accretion and define its nonequilibrium composition. We identify here in detail the typical nuclear reaction sequences down to a depth in the inner crust where the mass density is ρ =2× {10}12 {{g}} {cm}}-3 using a full nuclear reaction network for a range of initial compositions. The reaction sequences differ substantially from previous work. We find a robust reduction of crust impurity at the transition to the inner crust regardless of initial composition, though shell effects can delay the formation of a pure crust somewhat to densities beyond ρ =2× {10}12 {{g}} {cm}}-3. This naturally explains the small inner crust impurity inferred from observations of a broad range of systems. The exception are initial compositions with A ≥ 102 nuclei, where the inner crust remains impure with an impurity parameter of Q imp ≈ 20 owing to the N = 82 shell closure. In agreement with previous work, we find that nuclear heating is relatively robust and independent of initial composition, while cooling via nuclear Urca cycles in the outer crust depends strongly on initial composition. This work forms a basis for future studies of the sensitivity of crust models to nuclear physics and provides profiles of composition for realistic crust models.
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NASA Astrophysics Data System (ADS)
Seyrich, Maximilian; Sornette, Didier
2016-04-01
We present a plausible micro-founded model for the previously postulated power law finite time singular form of the crash hazard rate in the Johansen-Ledoit-Sornette (JLS) model of rational expectation bubbles. The model is based on a percolation picture of the network of traders and the concept that clusters of connected traders share the same opinion. The key ingredient is the notion that a shift of position from buyer to seller of a sufficiently large group of traders can trigger a crash. This provides a formula to estimate the crash hazard rate by summation over percolation clusters above a minimum size of a power sa (with a>1) of the cluster sizes s, similarly to a generalized percolation susceptibility. The power sa of cluster sizes emerges from the super-linear dependence of group activity as a function of group size, previously documented in the literature. The crash hazard rate exhibits explosive finite time singular behaviors when the control parameter (fraction of occupied sites, or density of traders in the network) approaches the percolation threshold pc. Realistic dynamics are generated by modeling the density of traders on the percolation network by an Ornstein-Uhlenbeck process, whose memory controls the spontaneous excursion of the control parameter close to the critical region of bubble formation. Our numerical simulations recover the main stylized properties of the JLS model with intermittent explosive super-exponential bubbles interrupted by crashes.
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NASA Astrophysics Data System (ADS)
Im, Chang-Hwan; Park, Ji-Hye; Shim, Miseon; Chang, Won Hyuk; Kim, Yun-Hee
2012-04-01
In this study, local electric field distributions generated by transcranial direct current stimulation (tDCS) with an extracephalic reference electrode were evaluated to address extracephalic tDCS safety issues. To this aim, we generated a numerical model of an adult male human upper body and applied the 3D finite element method to electric current conduction analysis. In our simulations, the active electrode was placed over the left primary motor cortex (M1) and the reference electrode was placed at six different locations: over the right temporal lobe, on the right supraorbital region, on the right deltoid, on the left deltoid, under the chin, and on the right buccinator muscle. The maximum current density and electric field intensity values in the brainstem generated by the extracephalic reference electrodes were comparable to, or even less than, those generated by the cephalic reference electrodes. These results suggest that extracephalic reference electrodes do not lead to unwanted modulation of the brainstem cardio-respiratory and autonomic centers, as indicated by recent experimental studies. The volume energy density was concentrated at the neck area by the use of deltoid reference electrodes, but was still smaller than that around the active electrode locations. In addition, the distributions of elicited cortical electric fields demonstrated that the use of extracephalic reference electrodes might allow for the robust prediction of cortical modulations with little dependence on the reference electrode locations.
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Eye-head coordination during free exploration in human and cat.
Einhäuser, Wolfgang; Moeller, Gudrun U; Schumann, Frank; Conradt, Jörg; Vockeroth, Johannes; Bartl, Klaus; Schneider, Erich; König, Peter
2009-05-01
Eye, head, and body movements jointly control the direction of gaze and the stability of retinal images in most mammalian species. The contribution of the individual movement components, however, will largely depend on the ecological niche the animal occupies and the layout of the animal's retina, in particular its photoreceptor density distribution. Here the relative contribution of eye-in-head and head-in-world movements in cats is measured, and the results are compared to recent human data. For the cat, a lightweight custom-made head-mounted video setup was used (CatCam). Human data were acquired with the novel EyeSeeCam device, which measures eye position to control a gaze-contingent camera in real time. For both species, analysis was based on simultaneous recordings of eye and head movements during free exploration of a natural environment. Despite the substantial differences in ecological niche, photoreceptor density, and saccade frequency, eye-movement characteristics in both species are remarkably similar. Coordinated eye and head movements dominate the dynamics of the retinal input. Interestingly, compensatory (gaze-stabilizing) movements play a more dominant role in humans than they do in cats. This finding was interpreted to be a consequence of substantially different timescales for head movements, with cats' head movements showing about a 5-fold faster dynamics than humans. For both species, models and laboratory experiments therefore need to account for this rich input dynamic to obtain validity for ecologically realistic settings.
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Improved Abel transform inversion: First application to COSMIC/FORMOSAT-3
NASA Astrophysics Data System (ADS)
Aragon-Angel, A.; Hernandez-Pajares, M.; Juan, J.; Sanz, J.
2007-05-01
In this paper the first results of Ionospheric Tomographic inversion are presented, using the Improved Abel Transform on the COSMIC/FORMOSAT-3 constellation of 6 LEO satellites, carrying on-board GPS receivers.[- 4mm] The Abel transform inversion is a wide used technique which in the ionospheric context makes it possible to retrieve electron densities as a function of height based of STEC (Slant Total Electron Content) data gathered from GPS receivers on board of LEO (Low Earth Orbit) satellites. Within this precise use, the classical approach of the Abel inversion is based on the assumption of spherical symmetry of the electron density in the vicinity of an occultation, meaning that the electron content varies in height but not horizontally. In particular, one implication of this assumption is that the VTEC (Vertical Total Electron Content) is a constant value for the occultation region. This assumption may not always be valid since horizontal ionospheric gradients (a very frequent feature in some ionosphere problematic areas such as the Equatorial region) could significantly affect the electron profiles. [- 4mm] In order to overcome this limitation/problem of the classical Abel inversion, a studied improvement of this technique can be obtained by assuming separability in the electron density (see Hernández-Pajares et al. 2000). This means that the electron density can be expressed by the multiplication of VTEC data and a shape function which assumes all the height dependency in it while the VTEC data keeps the horizontal dependency. Actually, it is more realistic to assume that this shape fuction depends only on the height and to use VTEC information to take into account the horizontal variation rather than considering spherical symmetry in the electron density function as it has been carried out in the classical approach of the Abel inversion.[-4mm] Since the above mentioned improved Abel inversion technique has already been tested and proven to be a useful tool to obtain a vertical description of the ionospheric electron density (see García-Fernández et al. 2003), a natural following step would be to extend the use of this technique to the recently available COSMIC data. The COSMIC satellite constellation, formed by 6 micro-satellites, is being deployed since April 2006 in circular orbit around the Earth, with a final altitude of about 700-800 kilometers. Its global and almost uniform coverage will overcome one of the main limitations of this technique which is the sparcity of data, related to lack of GPS receivers in some regions. This can significantly stimulate the development of radio occultation techniques with the use of the huge volume of data provided by the COSMIC constellation to be processed and analysed updating the current knowledge of the Ionospheres nature and behaviour. In this context a summary of the Improvel Abel transform inversion technique and the first results based on COSMIC constellation data will be presented. Moreover, future improvements, taking into account the higher temporal and global spatial coverage, will be discussed. [-4mm] References:M. Hernández-Pajares, J. M. Juan and J. Sanz, Improving the Abel inversion by adding ground GPS data to LEO radio occultations in ionospheric sounding, GEOPHYSICAL RESEARCH LETTERS, VOL. 27, NO. 16, PAGES 2473-2476, AUGUST 15, 2000.M. Garcia-Fernández, M. Hernández-Pajares, M. Juan, and J. Sanz, Improvement of ionospheric electron density estimation with GPSMET occultations using Abel inversion and VTEC Information, JOURNAL OF GEOPHYSICAL RESEARCH, VOL. 108, NO. A9, 1338, doi:10.1029/2003JA009952, 2003
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Density-Dependent Effects on Group Size Are Sex-Specific in a Gregarious Ungulate
Vander Wal, Eric; van Beest, Floris M.; Brook, Ryan K.
2013-01-01
Density dependence can have marked effects on social behaviors such as group size. We tested whether changes in population density of a large herbivore (elk, Cervus canadensis) affected sex-specific group size and whether the response was density- or frequency-dependent. We quantified the probability and strength of changes in group sizes and dispersion as population density changed for each sex. We used group size data from a population of elk in Manitoba, Canada, that was experimentally reduced from 1.20 to 0.67 elk/km2 between 2002 and 2009. Our results indicated that functional responses of group size to population density are sex-specific. Females showed a positive density-dependent response in group size at population densities ≥0.70 elk/km2 and we found evidence for a minimum group size at population density ≤0.70 elk/km2. Changes in male group size were also density-dependent; however, the strength of the relationship was lower than for females. Density dependence in male group size was predominantly a result of fusion of solitary males into larger groups, rather than fusion among existing groups. Our study revealed that density affects group size of a large herbivore differently between males and females, which has important implications for the benefits e.g., alleviating predation risk, and costs of social behaviors e.g., competition for resources and mates, and intra-specific pathogen transmission. PMID:23326502
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NASA Astrophysics Data System (ADS)
Rusin, Tomasz M.; Zawadzki, Wlodek
2018-05-01
Friedel oscillations (FO) of electron density caused by a deltalike neutral impurity in two-dimensional (2D) systems in a magnetic field are calculated. Three 2D cases are considered: free electron gas, monolayer graphene, and group-VI dichalcogenides. An exact form of the renormalized Green's function is used in the calculations, as obtained by a summation of the infinite Dyson series and regularization procedure. Final results are valid for large ranges of potential strengths V0, electron densities ne, magnetic fields B , and distances from the impurity r . Realistic models for the impurities are used. The first FO of induced density in WS2 are described by the relation Δ n (r ) ∝sin(2 π r /TFO) /r2 , where TFO∝1 /√{EF} . For weak impurity potentials, the amplitudes of FO are proportional to V0. For attractive potentials and high fields, the total electron density remains positive for all r . On the other hand, for low fields, repulsive potentials and small r , the total electron density may become negative, so that many-body effects should be taken into account.
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Michalek, Lukas; Barner, Leonie; Barner-Kowollik, Christopher
2018-03-07
Well-defined polymer strands covalently tethered onto solid substrates determine the properties of the resulting functional interface. Herein, the current approaches to determine quantitative grafting densities are assessed. Based on a brief introduction into the key theories describing polymer brush regimes, a user's guide is provided to estimating maximum chain coverage and-importantly-examine the most frequently employed approaches for determining grafting densities, i.e., dry thickness measurements, gravimetric assessment, and swelling experiments. An estimation of the reliability of these determination methods is provided via carefully evaluating their assumptions and assessing the stability of the underpinning equations. A practical access guide for comparatively and quantitatively evaluating the reliability of a given approach is thus provided, enabling the field to critically judge experimentally determined grafting densities and to avoid the reporting of grafting densities that fall outside the physically realistic parameter space. The assessment is concluded with a perspective on the development of advanced approaches for determination of grafting density, in particular, on single-chain methodologies. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Gravitational Waves from Binary Black Hole Mergers inside Stars.
Fedrow, Joseph M; Ott, Christian D; Sperhake, Ulrich; Blackman, Jonathan; Haas, Roland; Reisswig, Christian; De Felice, Antonio
2017-10-27
We present results from a controlled numerical experiment investigating the effect of stellar density gas on the coalescence of binary black holes (BBHs) and the resulting gravitational waves (GWs). This investigation is motivated by the proposed stellar core fragmentation scenario for BBH formation and the associated possibility of an electromagnetic counterpart to a BBH GW event. We employ full numerical relativity coupled with general-relativistic hydrodynamics and set up a 30+30 M_{⊙} BBH (motivated by GW150914) inside gas with realistic stellar densities. Our results show that at densities ρ≳10^{6}-10^{7} g cm^{-3} dynamical friction between the BHs and gas changes the coalescence dynamics and the GW signal in an unmistakable way. We show that for GW150914, LIGO observations appear to rule out BBH coalescence inside stellar gas of ρ≳10^{7} g cm^{-3}. Typical densities in the collapsing cores of massive stars are in excess of this density. This excludes the fragmentation scenario for the formation of GW150914.
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Disinfection byproducts (DBPs), including haloacetic acids (HAAs), are formed when oxidizing disinfectants react with inorganic and organic matter in water. Drinking water is assayed routinely for 9 HAAs (HAA9): chloro-, dichloro-, trichloro-, bromo-, dibromo-, tribrorno-, bromoc...
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Causes and consequences of complex population dynamics in an annual plant, Cardamine pensylvanica
DOE Office of Scientific and Technical Information (OSTI.GOV)
Crone, E.E.
1995-11-08
The relative importance of density-dependent and density-independent factors in determining the population dynamics of plants has been widely debated with little resolution. In this thesis, the author explores the effects of density-dependent population regulation on population dynamics in Cardamine pensylvanica, an annual plant. In the first chapter, she shows that experimental populations of C. pensylvanica cycled from high to low density in controlled constant-environment conditions. These cycles could not be explained by external environmental changes or simple models of direct density dependence (N{sub t+1} = f[N{sub t}]), but they could be explained by delayed density dependence (N{sub t+1} = f[N{submore » t}, N{sub t+1}]). In the second chapter, she shows that the difference in the stability properties of population growth models with and without delayed density dependence is due to the presence of Hopf as well as slip bifurcations from stable to chaotic population dynamics. She also measures delayed density dependence due to effects of parental density on offspring quality in C. pensylvanica and shows that this is large enough to be the cause of the population dynamics observed in C. pensylvanica. In the third chapter, the author extends her analyses of density-dependent population growth models to include interactions between competing species. In the final chapter, she compares the effects of fixed spatial environmental variation and variation in population size on the evolutionary response of C. pensylvanica populations.« less
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Cellular automata models for diffusion of information and highway traffic flow
NASA Astrophysics Data System (ADS)
Fuks, Henryk
In the first part of this work we study a family of deterministic models for highway traffic flow which generalize cellular automaton rule 184. This family is parameterized by the speed limit m and another parameter k that represents degree of 'anticipatory driving'. We compare two driving strategies with identical maximum throughput: 'conservative' driving with high speed limit and 'anticipatory' driving with low speed limit. Those two strategies are evaluated in terms of accident probability. We also discuss fundamental diagrams of generalized traffic rules and examine limitations of maximum achievable throughput. Possible modifications of the model are considered. For rule 184, we present exact calculations of the order parameter in a transition from the moving phase to the jammed phase using the method of preimage counting, and use this result to construct a solution to the density classification problem. In the second part we propose a probabilistic cellular automaton model for the spread of innovations, rumors, news, etc., in a social system. We start from simple deterministic models, for which exact expressions for the density of adopters are derived. For a more realistic model, based on probabilistic cellular automata, we study the influence of a range of interaction R on the shape of the adoption curve. When the probability of adoption is proportional to the local density of adopters, and individuals can drop the innovation with some probability p, the system exhibits a second order phase transition. Critical line separating regions of parameter space in which asymptotic density of adopters is positive from the region where it is equal to zero converges toward the mean-field line when the range of the interaction increases. In a region between R=1 critical line and the mean-field line asymptotic density of adopters depends on R, becoming zero if R is too small (smaller than some critical value). This result demonstrates the importance of connectivity in diffusion of information. We also define a new class of automata networks which incorporates non-local interactions, and discuss its applicability in modeling of diffusion of innovations.
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Impact of Damping Uncertainty on SEA Model Response Variance
NASA Technical Reports Server (NTRS)
Schiller, Noah; Cabell, Randolph; Grosveld, Ferdinand
2010-01-01
Statistical Energy Analysis (SEA) is commonly used to predict high-frequency vibroacoustic levels. This statistical approach provides the mean response over an ensemble of random subsystems that share the same gross system properties such as density, size, and damping. Recently, techniques have been developed to predict the ensemble variance as well as the mean response. However these techniques do not account for uncertainties in the system properties. In the present paper uncertainty in the damping loss factor is propagated through SEA to obtain more realistic prediction bounds that account for both ensemble and damping variance. The analysis is performed on a floor-equipped cylindrical test article that resembles an aircraft fuselage. Realistic bounds on the damping loss factor are determined from measurements acquired on the sidewall of the test article. The analysis demonstrates that uncertainties in damping have the potential to significantly impact the mean and variance of the predicted response.
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Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients
NASA Astrophysics Data System (ADS)
Evoli, Carmelo; Gaggero, Daniele; Vittino, Andrea; Di Bernardo, Giuseppe; Di Mauro, Mattia; Ligorini, Arianna; Ullio, Piero; Grasso, Dario
2017-02-01
We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.
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Realistic finite temperature simulations of magnetic systems using quantum statistics
NASA Astrophysics Data System (ADS)
Bergqvist, Lars; Bergman, Anders
2018-01-01
We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures compared to classical (Boltzmann) statistics normally used in these kind of simulations, while at higher temperatures the classical statistics are recovered. This corrected low-temperature description is reflected in both magnetization and the magnetic specific heat, the latter allowing for improved modeling of the magnetic contribution to free energies. A central property in the method is the magnon density of states at finite temperatures, and we have compared several different implementations for obtaining it. The method has no restrictions regarding chemical and magnetic order of the considered materials. This is demonstrated by applying the method to elemental ferromagnetic systems, including Fe and Ni, as well as Fe-Co random alloys and the ferrimagnetic system GdFe3.
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Simulating a transmon implementation of the surface code, Part II
NASA Astrophysics Data System (ADS)
O'Brien, Thomas; Tarasinski, Brian; Rol, Adriaan; Bultink, Niels; Fu, Xiang; Criger, Ben; Dicarlo, Leonardo
The majority of quantum error correcting circuit simulations use Pauli error channels, as they can be efficiently calculated. This raises two questions: what is the effect of more complicated physical errors on the logical qubit error rate, and how much more efficient can decoders become when accounting for realistic noise? To answer these questions, we design a minimal weight perfect matching decoder parametrized by a physically motivated noise model and test it on the full density matrix simulation of Surface-17, a distance-3 surface code. We compare performance against other decoders, for a range of physical parameters. Particular attention is paid to realistic sources of error for transmon qubits in a circuit QED architecture, and the requirements for real-time decoding via an FPGA Research funded by the Foundation for Fundamental Research on Matter (FOM), the Netherlands Organization for Scientific Research (NWO/OCW), IARPA, an ERC Synergy Grant, the China Scholarship Council, and Intel Corporation.
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Exact analytic flux distributions for two-dimensional solar concentrators.
Fraidenraich, Naum; Henrique de Oliveira Pedrosa Filho, Manoel; Vilela, Olga C; Gordon, Jeffrey M
2013-07-01
A new approach for representing and evaluating the flux density distribution on the absorbers of two-dimensional imaging solar concentrators is presented. The formalism accommodates any realistic solar radiance and concentrator optical error distribution. The solutions obviate the need for raytracing, and are physically transparent. Examples illustrating the method's versatility are presented for parabolic trough mirrors with both planar and tubular absorbers, Fresnel reflectors with tubular absorbers, and V-trough mirrors with planar absorbers.
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High Sensitivity Gravity Measurements in the Adverse Environment of Oil Wells
NASA Astrophysics Data System (ADS)
Pfutzner, Harold
2014-03-01
Bulk density is a primary measurement within oil and gas reservoirs and is the basis of most reserves calculations by oil companies. The measurement is performed with a gamma-ray source and two scintillation gamma-ray detectors from within newly drilled exploration and production wells. This nuclear density measurement, while very precise is also very shallow and is therefore susceptible to errors due to any alteration of the formation and fluids in the vicinity of the borehole caused by the drilling process. Measuring acceleration due to gravity along a well provides a direct measure of bulk density with a very large depth of investigation that makes it practically immune to errors from near-borehole effects. Advances in gravity sensors and associated mechanics and electronics provide an opportunity for routine borehole gravity measurements with comparable density precision to the nuclear density measurement and with sufficient ruggedness to survive the rough handling and high temperatures experienced in oil well logging. We will describe a borehole gravity meter and its use under very realistic conditions in an oil well in Saudi Arabia. The density measurements will be presented. Alberto Marsala (2), Paul Wanjau (1), Olivier Moyal (1), and Justin Mlcak (1); (1) Schlumberger, (2) Saudi Aramco.
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Martinez, Jeannette C; Caprio, Michael A; Friedenberg, Nicholas A
2018-02-09
It has long been recognized that pest population dynamics can affect the durability of a pesticide, but dose remains the primary component of insect resistance management (IRM). For transgenic pesticidal traits such as Bt (Bacillus thuringiensis Berliner (Bacillales: Bacillaceae)), dose (measured as the mortality of susceptibles caused by a toxin) is a relatively fixed characteristic and often falls below the standard definition of high dose. Hence, it is important to understand how pest population dynamics modify durability and what targets they present for IRM. We used a deterministic model of a generic arthropod pest to examine how timing and strength of density dependence interacted with population growth rate and Bt mortality to affect time to resistance. As in previous studies, durability typically reached a minimum at intermediate doses. However, high population growth rates could eliminate benefits of high dose. The timing of density dependence had a more subtle effect. If density dependence operated simultaneously with Bt mortality, durability was insensitive to its strengths. However, if density dependence was driven by postselection densities, decreasing its strength could increase durability. The strength of density dependence could affect durability of both single traits and pyramids, but its influence depended on the timing of density dependence and size of the refuge. Our findings suggest the utility of a broader definition of high dose, one that incorporates population-dynamic context. That maximum growth rates and timing and strength of interactions causing density dependent mortality can all affect durability, also highlights the need for ecologically integrated approaches to IRM research. © The Author(s) 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
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Effective size of density-dependent two-sex populations: the effect of mating systems.
Myhre, A M; Engen, S; SAEther, B-E
2017-08-01
Density dependence in vital rates is a key feature affecting temporal fluctuations of natural populations. This has important implications for the rate of random genetic drift. Mating systems also greatly affect effective population sizes, but knowledge of how mating system and density regulation interact to affect random genetic drift is poor. Using theoretical models and simulations, we compare N e in short-lived, density-dependent animal populations with different mating systems. We study the impact of a fluctuating, density-dependent sex ratio and consider both a stable and a fluctuating environment. We find a negative relationship between annual N e /N and adult population size N due to density dependence, suggesting that loss of genetic variation is reduced at small densities. The magnitude of this decrease was affected by mating system and life history. A male-biased, density-dependent sex ratio reduces the rate of genetic drift compared to an equal, density-independent sex ratio, but a stochastic change towards male bias reduces the N e /N ratio. Environmental stochasticity amplifies temporal fluctuations in population size and is thus vital to consider in estimation of effective population sizes over longer time periods. Our results on the reduced loss of genetic variation at small densities, particularly in polygamous populations, indicate that density regulation may facilitate adaptive evolution at small population sizes. © 2017 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2017 European Society For Evolutionary Biology.
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NASA Astrophysics Data System (ADS)
Gok, Gokhan; Mosna, Zbysek; Arikan, Feza; Arikan, Orhan; Erdem, Esra
2016-07-01
Ionospheric observation is essentially accomplished by specialized radar systems called ionosondes. The time delay between the transmitted and received signals versus frequency is measured by the ionosondes and the received signals are processed to generate ionogram plots, which show the time delay or reflection height of signals with respect to transmitted frequency. The critical frequencies of ionospheric layers and virtual heights, that provide useful information about ionospheric structurecan be extracted from ionograms . Ionograms also indicate the amount of variability or disturbances in the ionosphere. With special inversion algorithms and tomographical methods, electron density profiles can also be estimated from the ionograms. Although structural pictures of ionosphere in the vertical direction can be observed from ionosonde measurements, some errors may arise due to inaccuracies that arise from signal propagation, modeling, data processing and tomographic reconstruction algorithms. Recently IONOLAB group (www.ionolab.org) developed a new algorithm for effective and accurate extraction of ionospheric parameters and reconstruction of electron density profile from ionograms. The electron density reconstruction algorithm applies advanced optimization techniques to calculate parameters of any existing analytical function which defines electron density with respect to height using ionogram measurement data. The process of reconstructing electron density with respect to height is known as the ionogram scaling or true height analysis. IONOLAB-RAY algorithm is a tool to investigate the propagation path and parameters of HF wave in the ionosphere. The algorithm models the wave propagation using ray representation under geometrical optics approximation. In the algorithm , the structural ionospheric characteristics arerepresented as realistically as possible including anisotropicity, inhomogenity and time dependence in 3-D voxel structure. The algorithm is also used for various purposes including calculation of actual height and generation of ionograms. In this study, the performance of electron density reconstruction algorithm of IONOLAB group and standard electron density profile algorithms of ionosondes are compared with IONOLAB-RAY wave propagation simulation in near vertical incidence. The electron density reconstruction and parameter extraction algorithms of ionosondes are validated with the IONOLAB-RAY results both for quiet anddisturbed ionospheric states in Central Europe using ionosonde stations such as Pruhonice and Juliusruh . It is observed that IONOLAB ionosonde parameter extraction and electron density reconstruction algorithm performs significantly better compared to standard algorithms especially for disturbed ionospheric conditions. IONOLAB-RAY provides an efficient and reliable tool to investigate and validate ionosonde electron density reconstruction algorithms, especially in determination of reflection height (true height) of signals and critical parameters of ionosphere. This study is supported by TUBITAK 114E541, 115E915 and Joint TUBITAK 114E092 and AS CR 14/001 projects.
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Disabling Radiological Dispersal Terror
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hart, M
Terror resulting from the use of a radiological dispersal device (RDD) relies upon an individual's lack of knowledge and understanding regarding its significance. Disabling this terror will depend upon realistic reviews of the current conservative radiation protection regulatory standards. It will also depend upon individuals being able to make their own informed decisions merging perceived risks with reality. Preparation in these areas will reduce the effectiveness of the RDD and may even reduce the possibility of its use.
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Ackerman, Joshua T.; Ringelman, Kevin M.; Eadie, J.M.
2012-01-01
When nest predation levels are very high or very low, the absolute range of observable nest success is constrained (a floor/ceiling effect), and it may be more difficult to detect density-dependent nest predation. Density-dependent nest predation may be more detectable in years with moderate predation rates, simply because there can be a greater absolute difference in nest success between sites. To test this, we replicated a predation experiment 10 years after the original study, using both natural and artificial nests, comparing a year when overall rates of nest predation were high (2000) to a year with moderate nest predation (2010). We found no evidence for density-dependent predation on artificial nests in either year, indicating that nest predation is not density-dependent at the spatial scale of our experimental replicates (1-ha patches). Using nearest-neighbor distances as a measure of nest dispersion, we also found little evidence for “dispersion-dependent” predation on artificial nests. However, when we tested for dispersion-dependent predation using natural nests, we found that nest survival increased with shorter nearest-neighbor distances, and that neighboring nests were more likely to share the same nest fate than non-adjacent nests. Thus, at small spatial scales, density-dependence appears to operate in the opposite direction as predicted: closer nearest neighbors are more likely to be successful. We suggest that local nest dispersion, rather than larger-scale measures of nest density per se, may play a more important role in density-dependent nest predation.
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Preliminary study: Moisture-polymer interaction. Stuby objectives
NASA Technical Reports Server (NTRS)
Wen, L. C.
1985-01-01
The problems associated with mathematically modeling water-module interaction phenomena, including sorption and desorption, diffusion, and permeation are discussed. With reliable analytical models, an extensive materials data base, and solar radiation surface meteorological observations (SOLMET) weather data, predicting module lifetimes in realistic environments can become a practical reality. The status of the present techniques of simulating the various transport mechanisms was reported. The Dent model (a modified Brunauer-Emmet-Teller) approach represented polyvinyl butyral (PVB) sorption data. A 100-layer material model and Fick's diffusion model gave diffusivity values exhibiting adequate agreement with those measured for PVB. Diffusivity of PVB is concentration dependent, decreasing as the water content in PVB increases. The temperature dependence of diffusion in PVB is well modeled by the Arrhenius rate equation. Equilibrium conductivity and leakage current data are well represented by Hearle's model for bulk ionic conductivity. A nodal network analysis using the Systems Improved Numerical Differencing Analyzer (SINDA) Thermal Analyzer gave reasonable correlation with measurable data. It is concluded that realistic lifetime predictions seem to be feasible.
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Sims, Sarah; Hewitt, Gillian; Harris, Ruth
2015-05-01
Realist synthesis is a theory-driven approach for evaluating complex interventions using empirical evidence, which seeks an explanatory analysis of who a complex intervention works for, how, why, and in what circumstances. Interprofessional teamworking in healthcare is one such complex intervention, as teams are influenced by social and organizational factors, which makes them highly variable and context dependent. This article concludes a series of four articles that report on a realist synthesis of interprofessional teamworking. The synthesis identified 13 mechanisms that are reported in the literature to be the underlying processes through which interprofessional teamworking produces its effects. This article explores four of these mechanisms: a shared purpose; critical reflection; innovation; and leadership. These mechanisms together explain how a team sets and maintains its focus and direction. This article highlights that whilst many assumptions are made within the healthcare literature about how these mechanisms operate within teams, these assumptions are not always founded upon strong empirical evidence.
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High population density enhances recruitment and survival of a harvested coral reef fish.
Wormald, Clare L; Steele, Mark A; Forrester, Graham E
2013-03-01
A negative relationship between population growth and population density (direct density dependence) is necessary for population regulation and is assumed in most models of harvested populations. Experimental tests for density dependence are lacking for large-bodied, harvested fish because of the difficulty of manipulating population density over large areas. We studied a harvested coral reef fish, Lutjanus apodus (schoolmaster snapper), using eight large, isolated natural reefs (0.4-1.6 ha) in the Bahamas as replicates. An initial observational test for density dependence was followed by a manipulation of population density. The manipulation weakened an association between density and shelter-providing habitat features and revealed a positive effect of population density on recruitment and survival (inverse density dependence), but no effect of density on somatic growth. The snappers on an individual reef were organized into a few shoals, and we hypothesize that large shoals on high-density reefs were less vulnerable to large piscivores (groupers and barracudas) than the small shoals on low-density reefs. Reductions in predation risk for individuals in large social groups are well documented, but because snapper shoals occupied reefs the size of small marine reserves, these ecological interactions may influence the outcome of management actions.
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Gravity-height correlations for unrest at calderas
NASA Astrophysics Data System (ADS)
Berrino, G.; Rymer, H.; Brown, G. C.; Corrado, G.
1992-11-01
Calderas represent the sites of the world's most serious volcanic hazards. Although eruptions are not frequent at such structures on the scale of human lifetimes, there are nevertheless often physical changes at calderas that are measurable over periods of years or decades. Such calderas are said to be in a state of unrest, and it is by studying the nature of this unrest that we may begin to understand the dynamics of eruption precursors. Here we review combined gravity and elevation data from several restless calderas, and present new data on their characteristic signatures during periods of inflation and deflation. We find that unless the Bouguer gravity anomaly at a caldera is extremely small, the free-air gradient used to correct gravity data for observed elevation changes must be the measured or calculated gradient, and not the theoretical gradient, use of which may introduce significant errors. In general, there are two models that fit most of the available data. The first involves a Mogi-type point source, and the second is a Bouguer-type infinite horizontal plane source. The density of the deforming material (usually a magma chamber) is calculated from the gravity and ground deformation data, and the best fitting model is, to a first approximation, the one producing the most realistic density. No realistic density is obtained where there are real density changes, or where the data do not fit the point source or slab model. We find that a point source model fits most of the available data, and that most data are for periods of caldera inflation. The limited examples of deflation from large silicic calderas indicate that the amount of mass loss, or magma drainage, is usually much less than the mass gain during the preceding magma intrusion. In contrast, deflationary events at basaltic calderas formed in extensional tectonic environments are associated with more significant mass loss as magma is injected into the associated fissure swarms.
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Novel diagnostics for direct measurements of radical densities in atmospheric pressure plasma jets
NASA Astrophysics Data System (ADS)
Wagenaars, Erik
2017-10-01
Atmospheric-pressure plasma jets (APPJs) are widely studied for potential applications in industry and healthcare, e.g. surface modification of plastics, plasma medicine and photoresist removal. These plasmas can operate in open air, remain at room temperature and still have a non-equilibrium chemistry. Even though the exact mechanisms through which APPJs affect target surfaces remain largely unknown, it is clear that reactive species play a pivotal role in the success of APPJs. Therefore, reactive species diagnostics of APPJs play an important role in further developing our understanding of the plasma chemistry and will enable increases in treatment efficacy. Two-photon Absorption Laser Induced Fluorescence (TALIF) is a well-known technique for the measurement of absolute densities of atomic radicals such as O, N and H. Unfortunately, application of this technique on APPJs that are operating under realistic conditions for applications, i.e. in open air and with complex admixtures, is not straightforward. The highly collisional environment of APPJs means that collisional quenching of the laser-excited state becomes significant and needs to be taken into account. For well-controlled atmospheres and simple admixtures the effect can be estimated using quenching coefficients, however under realistic operating conditions the identity and density of the quenching partners is unknown due to the complexity of the plasma chemistry. I will present a picosecond TALIF diagnostic which uses a sub-nanosecond laser and iCCD camera that allows the measurement of the quenching-affected fluorescence decay rate directly, enabling absolute measurements of O and N density maps in the open-air effluent of an APPJ. The author acknowledges his collaborators at UoY, A. West, J. Bredin, S. Schroeter, K. Niemi, T. Gans, J. Dedrick and D. O'Connell and support from the UK EPSRC (EP/K018388/1 & EP/H003797/1).
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Anomalous dynamics triggered by a non-convex equation of state in relativistic flows
NASA Astrophysics Data System (ADS)
Ibáñez, J. M.; Marquina, A.; Serna, S.; Aloy, M. A.
2018-05-01
The non-monotonicity of the local speed of sound in dense matter at baryon number densities much higher than the nuclear saturation density (n0 ≈ 0.16 fm-3) suggests the possible existence of a non-convex thermodynamics which will lead to a non-convex dynamics. Here, we explore the rich and complex dynamics that an equation of state (EoS) with non-convex regions in the pressure-density plane may develop as a result of genuinely relativistic effects, without a classical counterpart. To this end, we have introduced a phenomenological EoS, the parameters of which can be restricted owing to causality and thermodynamic stability constraints. This EoS can be regarded as a toy model with which we may mimic realistic (and far more complex) EoSs of practical use in the realm of relativistic hydrodynamics.
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Improving Power Density of Free-Piston Stirling Engines
NASA Technical Reports Server (NTRS)
Briggs, Maxwell H.; Prahl, Joseph M.; Loparo, Kenneth A.
2016-01-01
Analyses and experiments demonstrate the potential benefits of optimizing piston and displacer motion in a free-piston Stirling Engine. Isothermal analysis shows the theoretical limits of power density improvement due to ideal motion in ideal Stirling engines. More realistic models based on nodal analysis show that ideal piston and displacer waveforms are not optimal, often producing less power than engines that use sinusoidal piston and displacer motion. Constrained optimization using nodal analysis predicts that Stirling engine power density can be increased by as much as 58 percent using optimized higher harmonic piston and displacer motion. An experiment is conducted in which an engine designed for sinusoidal motion is forced to operate with both second and third harmonics, resulting in a piston power increase of as much as 14 percent. Analytical predictions are compared to experimental data and show close agreement with indirect thermodynamic power calculations, but poor agreement with direct electrical power measurements.
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Improving Power Density of Free-Piston Stirling Engines
NASA Technical Reports Server (NTRS)
Briggs, Maxwell H.; Prahl, Joseph; Loparo, Kenneth
2016-01-01
Analyses and experiments demonstrate the potential benefits of optimizing piston and displacer motion in a free piston Stirling Engine. Isothermal analysis shows the theoretical limits of power density improvement due to ideal motion in ideal Stirling engines. More realistic models based on nodal analysis show that ideal piston and displacer waveforms are not optimal, often producing less power than engines that use sinusoidal piston and displacer motion. Constrained optimization using nodal analysis predicts that Stirling engine power density can be increased by as much as 58 using optimized higher harmonic piston and displacer motion. An experiment is conducted in which an engine designed for sinusoidal motion is forced to operate with both second and third harmonics, resulting in a maximum piston power increase of 14. Analytical predictions are compared to experimental data showing close agreement with indirect thermodynamic power calculations, but poor agreement with direct electrical power measurements.
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Improving Free-Piston Stirling Engine Power Density
NASA Technical Reports Server (NTRS)
Briggs, Maxwell H.
2016-01-01
Analyses and experiments demonstrate the potential benefits of optimizing piston and displacer motion in a free piston Stirling Engine. Isothermal analysis shows the theoretical limits of power density improvement due to ideal motion in ideal Stirling engines. More realistic models based on nodal analysis show that ideal piston and displacer waveforms are not optimal, often producing less power than engines that use sinusoidal piston and displacer motion. Constrained optimization using nodal analysis predicts that Stirling engine power density can be increased by as much as 58% using optimized higher harmonic piston and displacer motion. An experiment is conducted in which an engine designed for sinusoidal motion is forced to operate with both second and third harmonics, resulting in a maximum piston power increase of 14%. Analytical predictions are compared to experimental data showing close agreement with indirect thermodynamic power calculations, but poor agreement with direct electrical power measurements.
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Cosmology with void-galaxy correlations.
Hamaus, Nico; Wandelt, Benjamin D; Sutter, P M; Lavaux, Guilhem; Warren, Michael S
2014-01-31
Galaxy bias, the unknown relationship between the clustering of galaxies and the underlying dark matter density field is a major hurdle for cosmological inference from large-scale structure. While traditional analyses focus on the absolute clustering amplitude of high-density regions mapped out by galaxy surveys, we propose a relative measurement that compares those to the underdense regions, cosmic voids. On the basis of realistic mock catalogs we demonstrate that cross correlating galaxies and voids opens up the possibility to calibrate galaxy bias and to define a static ruler thanks to the observable geometric nature of voids. We illustrate how the clustering of voids is related to mass compensation and show that volume-exclusion significantly reduces the degree of stochasticity in their spatial distribution. Extracting the spherically averaged distribution of galaxies inside voids from their cross correlations reveals a remarkable concordance with the mass-density profile of voids.
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Workshop on High Power ICH Antenna Designs for High Density Tokamaks
NASA Astrophysics Data System (ADS)
Aamodt, R. E.
1990-02-01
A workshop in high power ICH antenna designs for high density tokamaks was held to: (1) review the data base relevant to the high power heating of high density tokamaks; (2) identify the important issues which need to be addressed in order to ensure the success of the ICRF programs on CIT and Alcator C-MOD; and (3) recommend approaches for resolving the issues in a timely realistic manner. Some specific performance goals for the antenna system define a successful design effort. Simply stated these goals are: couple the specified power per antenna into the desired ion species; produce no more than an acceptable level of RF auxiliary power induced impurities; and have a mechanical structure which safely survives the thermal, mechanical and radiation stresses in the relevant environment. These goals are intimately coupled and difficult tradeoffs between scientific and engineering constraints have to be made.
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Surface Current Density Mapping for Identification of Gastric Slow Wave Propagation
Bradshaw, L. A.; Cheng, L. K.; Richards, W. O.; Pullan, A. J.
2009-01-01
The magnetogastrogram records clinically relevant parameters of the electrical slow wave of the stomach noninvasively. Besides slow wave frequency, gastric slow wave propagation velocity is a potentially useful clinical indicator of the state of health of gastric tissue, but it is a difficult parameter to determine from noninvasive bioelectric or biomagnetic measurements. We present a method for computing the surface current density (SCD) from multichannel magnetogastrogram recordings that allows computation of the propagation velocity of the gastric slow wave. A moving dipole source model with hypothetical as well as realistic biomagnetometer parameters demonstrates that while a relatively sparse array of magnetometer sensors is sufficient to compute a single average propagation velocity, more detailed information about spatial variations in propagation velocity requires higher density magnetometer arrays. Finally, the method is validated with simultaneous MGG and serosal EMG measurements in a porcine subject. PMID:19403355
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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
NASA Astrophysics Data System (ADS)
Mathew, Kiran; Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Arias, T. A.; Hennig, Richard G.
2014-02-01
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent effects. In this work, we implement an implicit solvation model that has a firm theoretical foundation into the widely used density-functional code Vienna ab initio Software Package. The implicit solvation model follows the framework of joint density functional theory. We describe the framework, our algorithm and implementation, and benchmarks for small molecular systems. We apply the solvation model to study the surface energies of different facets of semiconducting and metallic nanocrystals and the SN2 reaction pathway. We find that solvation reduces the surface energies of the nanocrystals, especially for the semiconducting ones and increases the energy barrier of the SN2 reaction.
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Walsh, Rachael K.; Aguilar, Cristobal L.; Facchinelli, Luca; Valerio, Laura; Ramsey, Janine M.; Scott, Thomas W.; Lloyd, Alun L.; Gould, Fred
2013-01-01
Transgenic strains of Aedes aegypti have been engineered to help control transmission of dengue virus. Although resources have been invested in developing the strains, we lack data on the ecology of mosquitoes that could impact the success of this approach. Although studies of intra-specific competition have been conducted using Ae. aegypti larvae, none of these studies examine mixed age cohorts at densities that occur in the field, with natural nutrient levels. Experiments were conducted in Mexico to determine the impact of direct and delayed density dependence on Ae. aegypti populations. Natural water, food, and larval densities were used to estimate the impacts of density dependence on larval survival, development, and adult body size. Direct and delayed density-dependent factors had a significant impact on larval survival, larval development, and adult body size. These results indicate that control methods attempting to reduce mosquito populations may be counteracted by density-dependent population regulation. PMID:23669230
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Path integrals with higher order actions: Application to realistic chemical systems
NASA Astrophysics Data System (ADS)
Lindoy, Lachlan P.; Huang, Gavin S.; Jordan, Meredith J. T.
2018-02-01
Quantum thermodynamic parameters can be determined using path integral Monte Carlo (PIMC) simulations. These simulations, however, become computationally demanding as the quantum nature of the system increases, although their efficiency can be improved by using higher order approximations to the thermal density matrix, specifically the action. Here we compare the standard, primitive approximation to the action (PA) and three higher order approximations, the Takahashi-Imada action (TIA), the Suzuki-Chin action (SCA) and the Chin action (CA). The resulting PIMC methods are applied to two realistic potential energy surfaces, for H2O and HCN-HNC, both of which are spectroscopically accurate and contain three-body interactions. We further numerically optimise, for each potential, the SCA parameter and the two free parameters in the CA, obtaining more significant improvements in efficiency than seen previously in the literature. For both H2O and HCN-HNC, accounting for all required potential and force evaluations, the optimised CA formalism is approximately twice as efficient as the TIA formalism and approximately an order of magnitude more efficient than the PA. The optimised SCA formalism shows similar efficiency gains to the CA for HCN-HNC but has similar efficiency to the TIA for H2O at low temperature. In H2O and HCN-HNC systems, the optimal value of the a1 CA parameter is approximately 1/3 , corresponding to an equal weighting of all force terms in the thermal density matrix, and similar to previous studies, the optimal α parameter in the SCA was ˜0.31. Importantly, poor choice of parameter significantly degrades the performance of the SCA and CA methods. In particular, for the CA, setting a1 = 0 is not efficient: the reduction in convergence efficiency is not offset by the lower number of force evaluations. We also find that the harmonic approximation to the CA parameters, whilst providing a fourth order approximation to the action, is not optimal for these realistic potentials: numerical optimisation leads to better approximate cancellation of the fifth order terms, with deviation between the harmonic and numerically optimised parameters more marked in the more quantum H2O system. This suggests that numerically optimising the CA or SCA parameters, which can be done at high temperature, will be important in fully realising the efficiency gains of these formalisms for realistic potentials.
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Evolution of complex density-dependent dispersal strategies.
Parvinen, Kalle; Seppänen, Anne; Nagy, John D
2012-11-01
The question of how dispersal behavior is adaptive and how it responds to changes in selection pressure is more relevant than ever, as anthropogenic habitat alteration and climate change accelerate around the world. In metapopulation models where local populations are large, and thus local population size is measured in densities, density-dependent dispersal is expected to evolve to a single-threshold strategy, in which individuals stay in patches with local population density smaller than a threshold value and move immediately away from patches with local population density larger than the threshold. Fragmentation tends to convert continuous populations into metapopulations and also to decrease local population sizes. Therefore we analyze a metapopulation model, where each patch can support only a relatively small local population and thus experience demographic stochasticity. We investigated the evolution of density-dependent dispersal, emigration and immigration, in two scenarios: adult and natal dispersal. We show that density-dependent emigration can also evolve to a nonmonotone, "triple-threshold" strategy. This interesting phenomenon results from an interplay between the direct and indirect benefits of dispersal and the costs of dispersal. We also found that, compared to juveniles, dispersing adults may benefit more from density-dependent vs. density-independent dispersal strategies.
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Inverse Problems in Complex Models and Applications to Earth Sciences
NASA Astrophysics Data System (ADS)
Bosch, M. E.
2015-12-01
The inference of the subsurface earth structure and properties requires the integration of different types of data, information and knowledge, by combined processes of analysis and synthesis. To support the process of integrating information, the regular concept of data inversion is evolving to expand its application to models with multiple inner components (properties, scales, structural parameters) that explain multiple data (geophysical survey data, well-logs, core data). The probabilistic inference methods provide the natural framework for the formulation of these problems, considering a posterior probability density function (PDF) that combines the information from a prior information PDF and the new sets of observations. To formulate the posterior PDF in the context of multiple datasets, the data likelihood functions are factorized assuming independence of uncertainties for data originating across different surveys. A realistic description of the earth medium requires modeling several properties and structural parameters, which relate to each other according to dependency and independency notions. Thus, conditional probabilities across model components also factorize. A common setting proceeds by structuring the model parameter space in hierarchical layers. A primary layer (e.g. lithology) conditions a secondary layer (e.g. physical medium properties), which conditions a third layer (e.g. geophysical data). In general, less structured relations within model components and data emerge from the analysis of other inverse problems. They can be described with flexibility via direct acyclic graphs, which are graphs that map dependency relations between the model components. Examples of inverse problems in complex models can be shown at various scales. At local scale, for example, the distribution of gas saturation is inferred from pre-stack seismic data and a calibrated rock-physics model. At regional scale, joint inversion of gravity and magnetic data is applied for the estimation of lithological structure of the crust, with the lithotype body regions conditioning the mass density and magnetic susceptibility fields. At planetary scale, the Earth mantle temperature and element composition is inferred from seismic travel-time and geodetic data.
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Lu, Benzhuo; Zhou, Y C; Huber, Gary A; Bond, Stephen D; Holst, Michael J; McCammon, J Andrew
2007-10-07
A computational framework is presented for the continuum modeling of cellular biomolecular diffusion influenced by electrostatic driving forces. This framework is developed from a combination of state-of-the-art numerical methods, geometric meshing, and computer visualization tools. In particular, a hybrid of (adaptive) finite element and boundary element methods is adopted to solve the Smoluchowski equation (SE), the Poisson equation (PE), and the Poisson-Nernst-Planck equation (PNPE) in order to describe electrodiffusion processes. The finite element method is used because of its flexibility in modeling irregular geometries and complex boundary conditions. The boundary element method is used due to the convenience of treating the singularities in the source charge distribution and its accurate solution to electrostatic problems on molecular boundaries. Nonsteady-state diffusion can be studied using this framework, with the electric field computed using the densities of charged small molecules and mobile ions in the solvent. A solution for mesh generation for biomolecular systems is supplied, which is an essential component for the finite element and boundary element computations. The uncoupled Smoluchowski equation and Poisson-Boltzmann equation are considered as special cases of the PNPE in the numerical algorithm, and therefore can be solved in this framework as well. Two types of computations are reported in the results: stationary PNPE and time-dependent SE or Nernst-Planck equations solutions. A biological application of the first type is the ionic density distribution around a fragment of DNA determined by the equilibrium PNPE. The stationary PNPE with nonzero flux is also studied for a simple model system, and leads to an observation that the interference on electrostatic field of the substrate charges strongly affects the reaction rate coefficient. The second is a time-dependent diffusion process: the consumption of the neurotransmitter acetylcholine by acetylcholinesterase, determined by the SE and a single uncoupled solution of the Poisson-Boltzmann equation. The electrostatic effects, counterion compensation, spatiotemporal distribution, and diffusion-controlled reaction kinetics are analyzed and different methods are compared.
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Strain rate dependency of bovine trabecular bone under impact loading at sideways fall velocity.
Enns-Bray, William S; Ferguson, Stephen J; Helgason, Benedikt
2018-05-03
There is currently a knowledge gap in scientific literature concerning the strain rate dependent properties of trabecular bone at intermediate strain rates. Meanwhile, strain rates between 10 and 200/s have been observed in previous dynamic finite element models of the proximal femur loaded at realistic sideways fall speeds. This study aimed to quantify the effect of strain rate (ε̇) on modulus of elasticity (E), ultimate stress (σ u ), failure energy (U f ), and minimum stress (σ m ) of trabecular bone in order to improve the biofidelity of material properties used in dynamic simulations of sideways fall loading on the hip. Cylindrical cores of trabecular bone (D = 8 mm, L gauge = 16 mm, n = 34) from bovine proximal tibiae and distal femurs were scanned in µCT (10 µm), quantifying apparent density (ρ app ) and degree of anisotropy (DA), and subsequently impacted within a miniature drop tower. Force of impact was measured using a piezoelectric load cell (400 kHz), while displacement during compression was measured from high speed video (50,000 frames/s). Four groups, with similar density distributions, were loaded at different impact velocities (0.84, 1.33, 1.75, and 2.16 m/s) with constant kinetic energy (0.4 J) by adjusting the impact mass. The mean strain rates of each group were significantly different (p < 0.05) except for the two fastest impact speeds (p = 0.09). Non-linear regression models correlated strain rate, DA, and ρ app with ultimate stress (R 2 = 0.76), elastic modulus (R 2 = 0.63), failure energy (R 2 = 0.38), and minimum stress (R 2 = 0.57). These results indicate that previous estimates of σ u could be under predicting the mechanical properties at strain rates above 10/s. Copyright © 2018 Elsevier Ltd. All rights reserved.
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Robinson, Orin J.; McGowan, Conor P.; Devers, Patrick K.
2017-01-01
Density dependence regulates populations of many species across all taxonomic groups. Understanding density dependence is vital for predicting the effects of climate, habitat loss and/or management actions on wild populations. Migratory species likely experience seasonal changes in the relative influence of density dependence on population processes such as survival and recruitment throughout the annual cycle. These effects must be accounted for when characterizing migratory populations via population models.To evaluate effects of density on seasonal survival and recruitment of a migratory species, we used an existing full annual cycle model framework for American black ducks Anas rubripes, and tested different density effects (including no effects) on survival and recruitment. We then used a Bayesian model weight updating routine to determine which population model best fit observed breeding population survey data between 1990 and 2014.The models that best fit the survey data suggested that survival and recruitment were affected by density dependence and that density effects were stronger on adult survival during the breeding season than during the non-breeding season.Analysis also suggests that regulation of survival and recruitment by density varied over time. Our results showed that different characterizations of density regulations changed every 8–12 years (three times in the 25-year period) for our population.Synthesis and applications. Using a full annual cycle, modelling framework and model weighting routine will be helpful in evaluating density dependence for migratory species in both the short and long term. We used this method to disentangle the seasonal effects of density on the continental American black duck population which will allow managers to better evaluate the effects of habitat loss and potential habitat management actions throughout the annual cycle. The method here may allow researchers to hone in on the proper form and/or strength of density dependence for use in models for conservation recommendations.
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Statistics of cosmic density profiles from perturbation theory
NASA Astrophysics Data System (ADS)
Bernardeau, Francis; Pichon, Christophe; Codis, Sandrine
2014-11-01
The joint probability distribution function (PDF) of the density within multiple concentric spherical cells is considered. It is shown how its cumulant generating function can be obtained at tree order in perturbation theory as the Legendre transform of a function directly built in terms of the initial moments. In the context of the upcoming generation of large-scale structure surveys, it is conjectured that this result correctly models such a function for finite values of the variance. Detailed consequences of this assumption are explored. In particular the corresponding one-cell density probability distribution at finite variance is computed for realistic power spectra, taking into account its scale variation. It is found to be in agreement with Λ -cold dark matter simulations at the few percent level for a wide range of density values and parameters. Related explicit analytic expansions at the low and high density tails are given. The conditional (at fixed density) and marginal probability of the slope—the density difference between adjacent cells—and its fluctuations is also computed from the two-cell joint PDF; it also compares very well to simulations. It is emphasized that this could prove useful when studying the statistical properties of voids as it can serve as a statistical indicator to test gravity models and/or probe key cosmological parameters.
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NASA Astrophysics Data System (ADS)
Schindler, Sebastian; Zell, Eduard; Botsch, Mario; Kissler, Johanna
2017-03-01
Cartoon characters are omnipresent in popular media. While few studies have scientifically investigated their processing, in computer graphics, efforts are made to increase realism. Yet, close approximations of reality have been suggested to evoke sometimes a feeling of eeriness, the “uncanny valley” effect. Here, we used high-density electroencephalography to investigate brain responses to professionally stylized happy, angry, and neutral character faces. We employed six face-stylization levels varying from abstract to realistic and investigated the N170, early posterior negativity (EPN), and late positive potential (LPP) event-related components. The face-specific N170 showed a u-shaped modulation, with stronger reactions towards both most abstract and most realistic compared to medium-stylized faces. For abstract faces, N170 was generated more occipitally than for real faces, implying stronger reliance on structural processing. Although emotional faces elicited highest amplitudes on both N170 and EPN, on the N170 realism and expression interacted. Finally, LPP increased linearly with face realism, reflecting activity increase in visual and parietal cortex for more realistic faces. Results reveal differential effects of face stylization on distinct face processing stages and suggest a perceptual basis to the uncanny valley hypothesis. They are discussed in relation to face perception, media design, and computer graphics.
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Schindler, Sebastian; Zell, Eduard; Botsch, Mario; Kissler, Johanna
2017-01-01
Cartoon characters are omnipresent in popular media. While few studies have scientifically investigated their processing, in computer graphics, efforts are made to increase realism. Yet, close approximations of reality have been suggested to evoke sometimes a feeling of eeriness, the “uncanny valley” effect. Here, we used high-density electroencephalography to investigate brain responses to professionally stylized happy, angry, and neutral character faces. We employed six face-stylization levels varying from abstract to realistic and investigated the N170, early posterior negativity (EPN), and late positive potential (LPP) event-related components. The face-specific N170 showed a u-shaped modulation, with stronger reactions towards both most abstract and most realistic compared to medium-stylized faces. For abstract faces, N170 was generated more occipitally than for real faces, implying stronger reliance on structural processing. Although emotional faces elicited highest amplitudes on both N170 and EPN, on the N170 realism and expression interacted. Finally, LPP increased linearly with face realism, reflecting activity increase in visual and parietal cortex for more realistic faces. Results reveal differential effects of face stylization on distinct face processing stages and suggest a perceptual basis to the uncanny valley hypothesis. They are discussed in relation to face perception, media design, and computer graphics. PMID:28332557
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Williams, Jennifer L; Levine, Jonathan M
2018-04-01
Populations of range expanding species encounter patches of both favorable and unfavorable habitat as they spread across landscapes. Theory shows that increasing patchiness slows the spread of populations modeled with continuously varying population density when dispersal is not influence by the environment or individual behavior. However, as is found in uniformly favorable landscapes, spread remains driven by fecundity and dispersal from low density individuals at the invasion front. In contrast, when modeled populations are composed of discrete individuals, patchiness causes populations to build up to high density before dispersing past unsuitable habitat, introducing an important influence of density dependence on spread velocity. To test the hypothesized interaction between habitat patchiness and density dependence, we simultaneously manipulated these factors in a greenhouse system of annual plants spreading through replicated experimental landscapes. We found that increasing the size of gaps and amplifying the strength of density dependence both slowed spread velocity, but contrary to predictions, the effect of amplified density dependence was similar across all landscape types. Our results demonstrate that the discrete nature of individuals in spreading populations has a strong influence on how both landscape patchiness and density dependence influence spread through demographic and dispersal stochasticity. Both finiteness and landscape structure should be critical components to theoretical predictions of future spread for range expanding native species or invasive species colonizing new habitat. © 2018 by the Ecological Society of America.
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Kahnert, Michael; Nousiainen, Timo; Lindqvist, Hannakaisa
2013-04-08
Optical properties of light absorbing carbon (LAC) aggregates encapsulated in a shell of sulfate are computed for realistic model geometries based on field measurements. Computations are performed for wavelengths from the UV-C to the mid-IR. Both climate- and remote sensing-relevant optical properties are considered. The results are compared to commonly used simplified model geometries, none of which gives a realistic representation of the distribution of the LAC mass within the host material and, as a consequence, fail to predict the optical properties accurately. A new core-gray shell model is introduced, which accurately reproduces the size- and wavelength dependence of the integrated and differential optical properties.
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Nonlinear saturation of tearing mode islands.
Hastie, R J; Militello, F; Porcelli, F
2005-08-05
New, rigorous results for the tearing island saturation problem are presented. These results are valid for the realistic case where the magnetic island structure is non-symmetric about the reconnection surface and the electron temperature, on which the electrical resistivity depends, is evolved self-consistently with the island growth.
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pi-eta mixing and charge symmetry violating NN potential in matter
DOE Office of Scientific and Technical Information (OSTI.GOV)
Biswas, Subhrajyoti; Roy, Pradip; Dutt-Mazumder, Abhee K.
2010-06-15
We construct density-dependent class III charge symmetry violating (CSV) potential caused by the mixing of pi-eta mesons with off-shell corrections. The density dependence enters through the nonvanishing pi-eta mixing driven by both the neutron-proton mass difference and their asymmetric density distribution. The contribution of density-dependent mixing to the CSV potential is found to be appreciably larger than that of the vacuum part.
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A realistic molecular model of cement hydrates.
Pellenq, Roland J-M; Kushima, Akihiro; Shahsavari, Rouzbeh; Van Vliet, Krystyn J; Buehler, Markus J; Yip, Sidney; Ulm, Franz-Josef
2009-09-22
Despite decades of studies of calcium-silicate-hydrate (C-S-H), the structurally complex binder phase of concrete, the interplay between chemical composition and density remains essentially unexplored. Together these characteristics of C-S-H define and modulate the physical and mechanical properties of this "liquid stone" gel phase. With the recent determination of the calcium/silicon (C/S = 1.7) ratio and the density of the C-S-H particle (2.6 g/cm(3)) by neutron scattering measurements, there is new urgency to the challenge of explaining these essential properties. Here we propose a molecular model of C-S-H based on a bottom-up atomistic simulation approach that considers only the chemical specificity of the system as the overriding constraint. By allowing for short silica chains distributed as monomers, dimers, and pentamers, this C-S-H archetype of a molecular description of interacting CaO, SiO2, and H2O units provides not only realistic values of the C/S ratio and the density computed by grand canonical Monte Carlo simulation of water adsorption at 300 K. The model, with a chemical composition of (CaO)(1.65)(SiO2)(H2O)(1.75), also predicts other essential structural features and fundamental physical properties amenable to experimental validation, which suggest that the C-S-H gel structure includes both glass-like short-range order and crystalline features of the mineral tobermorite. Additionally, we probe the mechanical stiffness, strength, and hydrolytic shear response of our molecular model, as compared to experimentally measured properties of C-S-H. The latter results illustrate the prospect of treating cement on equal footing with metals and ceramics in the current application of mechanism-based models and multiscale simulations to study inelastic deformation and cracking.
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NASA Technical Reports Server (NTRS)
Mantel, T.
1993-01-01
Although the different regimes of premixed combustion are not well defined, most of the recent developments in turbulent combustion modeling are led in the so-called flamelet regime. The goal of these models is to give a realistic expression to the mean reaction rate (w). Several methods can be used to estimate (w). Bray and coworkers (Libby & Bray 1980, Bray 1985, Bray & Libby 1986) express the instantaneous reaction rate by means of a flamelet library and a frequency which describes the local interaction between the laminar flamelets and the turbulent flowfield. In another way, the mean reaction rate can be directly connected to the flame surface density (Sigma). This quantity can be given by the transport equation of the coherent flame model initially proposed by Marble & Broadwell 1977 and developed elsewhere. The mean reaction rate, (w), can also be estimated thanks to the evolution of an arbitrary scalar field G(x, t) = G(sub O) which represents the flame sheet. G(x, t) is obtained from the G-equation proposed by Williams 1985, Kerstein et al. 1988 and Peters 1993. Another possibility proposed in a recent study by Mantel & Borghi 1991, where a transport equation for the mean dissipation rate (epsilon(sub c)) of the progress variable c is used to determine (w). In their model, Mantel & Borghi 1991 considered a medium with constant density and constant diffusivity in the determination of the transport equation for (epsilon(sub c)). A comparison of different flamelet models made by Duclos et al. 1993 shows the realistic behavior of this model even in the case of constant density. Our objective in this present report is to present preliminary results on the study of this equation in the case of variable density and variable diffusivity. Assumptions of constant pressure and a Lewis number equal to unity allow us to significantly simplify the equation. A systematic order of magnitude analysis based on adequate scale relations is performed on each term of the equation. As in the case of constant density and constant diffusivity, the effects of stretching of the scalar field by the turbulent strain field, of local curvature, and of chemical reactions are predominant. In this preliminary work, we suggest closure models for certain terms, which will be validated after comparisons with DNS data.
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NASA Astrophysics Data System (ADS)
Lamontagne, M.; Thomas, M.; Silliker, J.; Jobin, D.
2011-11-01
In this study, measurements of gravity were made to map and model the thickness of Quaternary deposits (sand and clay) overlying Ordovician limestones in a suburb of Ottawa (Orléans, Ontario). Because ground motion amplification is partly related to the thickness of unconsolidated deposits, this work helps refine the assessment of the earthquake damage potential of the area. It also helps the mapping of clay basins, which can locally exceed 100 m in thickness, where ground motion amplification can occur. Previous work, including well log data and seismic methods, have yielded a wealth of information on near-surface geology in Orléans, thereby providing the necessary constraints to test the applicability of gravity modeling in other locations where other methods cannot always be used. Some 104 gravity stations were occupied in an 8 × 12 km test area in the Orléans. Stations were accurately located with differential GPS that provided centimetric accuracy in elevation. Densities of the unconsolidated Quaternary deposits (Champlain Sea clay) determined on core samples and densities determined on limestone samples from outcrops were used to constrain models of the clay layer overlying the higher density bedrock formations (limestone). The gravity anomaly map delineates areas where clay basins attain > 100 m depth. Assuming a realistic density for the Champlain Sea clays (1.9-2.1 g/cm 3), the thickness over the higher density bedrock formations (Ordovician carbonate rocks) was modeled and compared with well logs and two seismic reflection profiles. The models match quite well with the information determined from well logs and seismic methods. It was found that gravity and the thickness of unconsolidated deposits are correlated but the uncertainties in both data sets preclude the definition of a direct correlation between the two. We propose that gravity measurements at a local scale be used as an inexpensive means of mapping the thickness of unconsolidated deposits in low-density urban areas. To obtain meaningful results, three conditions must exist. Firstly, elevations of gravity stations must be measured accurately using differential GPS; secondly, that the regional gravity field must be well defined, and thirdly, that the local geology be simple enough to be realistically represented with a two-layer model.
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NASA Astrophysics Data System (ADS)
Doropoulos, Christopher; Gómez-Lemos, Luis A.; Babcock, Russell C.
2018-03-01
Coral settlement is a key process for the recovery and maintenance of coral reefs, yet interspecific variations in density-dependent settlement are unknown. Settlement of the submassive Goniastrea retiformis and corymbose Acropora digitifera and A. millepora was quantified at densities ranging from 1 to 50 larvae per 20 mL from 110 to 216 h following spawning. Settlement patterns were distinct for each species. Goniastrea settlement was rapid and increased linearly with time, whereas both Acropora spp. hardly settled until crustose coralline algae was provided. Both Goniastrea and A. digitifera showed positive density-dependent settlement, but the relationship was exponential for Goniastrea but linear for A. digitifera. Settlement was highest but density independent in A. millepora. Our results suggest that larval density can have significant effects on settler replenishment, and highlight variability in density-dependent settlement among corals with distinct functional traits as well as those with similar functional forms.
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Shinde, S S; Kim, Dong-Hyung; Yu, Jin-Young; Lee, Jung-Ho
2017-06-01
The rational design of stable, inexpensive catalysts with excellent hydrogen dynamics and sorption characteristics under realistic environments for reversible hydrogen storage remains a great challenge. Here, we present a simple and scalable strategy to fabricate a monodispersed, air-stable, magnesium hydride embedded in three-dimensional activated carbon with periodic synchronization of transition metals (MHCH). The high surface area, homogeneous distribution of MgH 2 nanoparticles, excellent thermal stability, high energy density, steric confinement by carbon, and robust architecture of the catalyst resulted in a noticeable enhancement of the hydrogen storage performance. The resulting MHCH-5 exhibited outstanding hydrogen storage performance, better than that of most reported Mg-based hydrides, with a high storage density of 6.63 wt% H 2 , a rapid kinetics loading in <5 min at 180 °C, superior reversibility, and excellent long-term cycling stability over ∼435 h. The significant reduction of the enthalpy and activation energy observed in the MHCH-5 demonstrated enhancement of the kinetics of de-/hydrogenation compared to that of commercial MgH 2 . The origin of the intrinsic hydrogen thermodynamics was elucidated via solid state 1 H NMR. This work presents a readily scaled-up strategy towards the design of realistic catalysts with superior functionality and stability for applications in reversible hydrogen storage, lithium ion batteries, and fuel cells.
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An Observational Upper Limit on the Interstellar Number Density of Asteroids and Comets
NASA Astrophysics Data System (ADS)
Engelhardt, Toni; Jedicke, Robert; Vereš, Peter; Fitzsimmons, Alan; Denneau, Larry; Beshore, Ed; Meinke, Bonnie
2017-03-01
We derived 90% confidence limits (CLs) on the interstellar number density ({ρ }{IS}{CL}) of interstellar objects (ISOs; comets and asteroids) as a function of the slope of their size-frequency distribution (SFD) and limiting absolute magnitude. To account for gravitational focusing, we first generated a quasi-realistic ISO population to ˜ 750 {au} from the Sun and propagated it forward in time to generate a steady state population of ISOs with heliocentric distance < 50 {au}. We then simulated the detection of the synthetic ISOs using pointing data for each image and average detection efficiencies for each of three contemporary solar system surveys—Pan-STARRS1, the Mt. Lemmon Survey, and the Catalina Sky Survey. These simulations allowed us to determine the surveys’ combined ISO detection efficiency under several different but realistic modes of identifying ISOs in the survey data. Some of the synthetic detected ISOs had eccentricities as small as 1.01, which is in the range of the largest eccentricities of several known comets. Our best CL of {ρ }{IS}{CL}=1.4× {10}-4 {{au}}-3 implies that the expectation that extra-solar systems form like our solar system, eject planetesimals in the same way, and then distribute them throughout the Galaxy, is too simplistic, or that the SFD or behavior of ISOs as they pass through our solar system is far from expectation.
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Inferring Lower Boundary Driving Conditions Using Vector Magnetic Field Observations
NASA Technical Reports Server (NTRS)
Schuck, Peter W.; Linton, Mark; Leake, James; MacNeice, Peter; Allred, Joel
2012-01-01
Low-beta coronal MHD simulations of realistic CME events require the detailed specification of the magnetic fields, velocities, densities, temperatures, etc., in the low corona. Presently, the most accurate estimates of solar vector magnetic fields are made in the high-beta photosphere. Several techniques have been developed that provide accurate estimates of the associated photospheric plasma velocities such as the Differential Affine Velocity Estimator for Vector Magnetograms and the Poloidal/Toroidal Decomposition. Nominally, these velocities are consistent with the evolution of the radial magnetic field. To evolve the tangential magnetic field radial gradients must be specified. In addition to estimating the photospheric vector magnetic and velocity fields, a further challenge involves incorporating these fields into an MHD simulation. The simulation boundary must be driven, consistent with the numerical boundary equations, with the goal of accurately reproducing the observed magnetic fields and estimated velocities at some height within the simulation. Even if this goal is achieved, many unanswered questions remain. How can the photospheric magnetic fields and velocities be propagated to the low corona through the transition region? At what cadence must we observe the photosphere to realistically simulate the corona? How do we model the magnetic fields and plasma velocities in the quiet Sun? How sensitive are the solutions to other unknowns that must be specified, such as the global solar magnetic field, and the photospheric temperature and density?
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Crosstalk in solar polarization measurements
NASA Technical Reports Server (NTRS)
West, E. A.; Balasubramaniam, K. S.
1992-01-01
The instrumental crosstalk associated with the Marshall Space Flight Center Vector Magnetograph and the solar crosstalk created by the magnetic field are described and their impact on the reconstruction of the solar vector magnetic field is analyzed. It is pointed out that identifying and correcting the crosstalk is important in the development of realistic models describing the solar atmosphere. Solar crosstalk is spatially dependent on the structure of the magnetic field while instrumental crosstalk is dependent on the position of the analyzer.
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Functional modeling of the human auditory brainstem response to broadband stimulationa)
Verhulst, Sarah; Bharadwaj, Hari M.; Mehraei, Golbarg; Shera, Christopher A.; Shinn-Cunningham, Barbara G.
2015-01-01
Population responses such as the auditory brainstem response (ABR) are commonly used for hearing screening, but the relationship between single-unit physiology and scalp-recorded population responses are not well understood. Computational models that integrate physiologically realistic models of single-unit auditory-nerve (AN), cochlear nucleus (CN) and inferior colliculus (IC) cells with models of broadband peripheral excitation can be used to simulate ABRs and thereby link detailed knowledge of animal physiology to human applications. Existing functional ABR models fail to capture the empirically observed 1.2–2 ms ABR wave-V latency-vs-intensity decrease that is thought to arise from level-dependent changes in cochlear excitation and firing synchrony across different tonotopic sections. This paper proposes an approach where level-dependent cochlear excitation patterns, which reflect human cochlear filter tuning parameters, drive AN fibers to yield realistic level-dependent properties of the ABR wave-V. The number of free model parameters is minimal, producing a model in which various sources of hearing-impairment can easily be simulated on an individualized and frequency-dependent basis. The model fits latency-vs-intensity functions observed in human ABRs and otoacoustic emissions while maintaining rate-level and threshold characteristics of single-unit AN fibers. The simulations help to reveal which tonotopic regions dominate ABR waveform peaks at different stimulus intensities. PMID:26428802
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Dependence of SOL widths on plasma current and density in NSTX H-mode plasmas
NASA Astrophysics Data System (ADS)
Ahn, J.-W.; Maingi, R.; Boedo, J. A.; Soukhanovskii, V.; NSTX Team
2009-06-01
The dependence of various SOL widths on the line-averaged density ( n) and plasma current ( Ip) for the quiescent H-mode plasmas with Type-V ELMs in the National Spherical Torus Experiment (NSTX) was investigated. It is found that the heat flux SOL width ( λq), measured by the IR camera, is virtually insensitive to n and has a strong negative dependence on Ip. This insensitivity of λq to n¯e is consistent with the scaling law from JET H-mode plasmas that shows a very weak dependence on the upstream density. The electron temperature, ion saturation current density, electron density, and electron pressure decay lengths ( λTe, λjsat, λne, and λpe, respectively) measured by the probe showed that λTe and λjsat have strong negative dependence on Ip, whereas λne and λpe revealed only a little or no dependence. The dependence of λTe on Ip is consistent with the scaling law in the literature, while λne and λpe dependence shows a different trend.
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Abrams, Peter A
2009-09-01
Consumer-resource models are used to deduce the functional form of density dependence in the consumer population. A general approach to determining the form of consumer density dependence is proposed; this involves determining the equilibrium (or average) population size for a series of different harvest rates. The relationship between a consumer's mortality and its equilibrium population size is explored for several one-consumer/one-resource models. The shape of density dependence in the resource and the shape of the numerical and functional responses all tend to be "inherited" by the consumer's density dependence. Consumer-resource models suggest that density dependence will very often have both concave and convex segments, something that is impossible under the commonly used theta-logistic model. A range of consumer-resource models predicts that consumer population size often declines at a decelerating rate with mortality at low mortality rates, is insensitive to or increases with mortality over a wide range of intermediate mortalities, and declines at a rapidly accelerating rate with increased mortality when mortality is high. This has important implications for management and conservation of natural populations.
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NASA Astrophysics Data System (ADS)
De Geeter, N.; Crevecoeur, G.; Dupré, L.; Van Hecke, W.; Leemans, A.
2012-04-01
Accurate simulations on detailed realistic head models are necessary to gain a better understanding of the response to transcranial magnetic stimulation (TMS). Hitherto, head models with simplified geometries and constant isotropic material properties are often used, whereas some biological tissues have anisotropic characteristics which vary naturally with frequency. Moreover, most computational methods do not take the tissue permittivity into account. Therefore, we calculate the electromagnetic behaviour due to TMS in a head model with realistic geometry and where realistic dispersive anisotropic tissue properties are incorporated, based on T1-weighted and diffusion-weighted magnetic resonance images. This paper studies the impact of tissue anisotropy, permittivity and frequency dependence, using the anisotropic independent impedance method. The results show that anisotropy yields differences up to 32% and 19% of the maximum induced currents and electric field, respectively. Neglecting the permittivity values leads to a decrease of about 72% and 24% of the maximum currents and field, respectively. Implementing the dispersive effects of biological tissues results in a difference of 6% of the maximum currents. The cerebral voxels show limited sensitivity of the induced electric field to changes in conductivity and permittivity, whereas the field varies approximately linearly with frequency. These findings illustrate the importance of including each of the above parameters in the model and confirm the need for accuracy in the applied patient-specific method, which can be used in computer-assisted TMS.
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Multi-ray medical ultrasound simulation without explicit speckle modelling.
Tuzer, Mert; Yazıcı, Abdulkadir; Türkay, Rüştü; Boyman, Michael; Acar, Burak
2018-05-04
To develop a medical ultrasound (US) simulation method using T1-weighted magnetic resonance images (MRI) as the input that offers a compromise between low-cost ray-based and high-cost realistic wave-based simulations. The proposed method uses a novel multi-ray image formation approach with a virtual phased array transducer probe. A domain model is built from input MR images. Multiple virtual acoustic rays are emerged from each element of the linear transducer array. Reflected and transmitted acoustic energy at discrete points along each ray is computed independently. Simulated US images are computed by fusion of the reflected energy along multiple rays from multiple transducers, while phase delays due to differences in distances to transducers are taken into account. A preliminary implementation using GPUs is presented. Preliminary results show that the multi-ray approach is capable of generating view point-dependent realistic US images with an inherent Rician distributed speckle pattern automatically. The proposed simulator can reproduce the shadowing artefacts and demonstrates frequency dependence apt for practical training purposes. We also have presented preliminary results towards the utilization of the method for real-time simulations. The proposed method offers a low-cost near-real-time wave-like simulation of realistic US images from input MR data. It can further be improved to cover the pathological findings using an improved domain model, without any algorithmic updates. Such a domain model would require lesion segmentation or manual embedding of virtual pathologies for training purposes.
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U.S. Energy Prospects: An Engineering Viewpoint.
ERIC Educational Resources Information Center
National Academy of Engineering, Washington, DC. Commission on Education.
With the Arab oil embargo of 1973, the United States became aware of its dependence on foreign fuel to maintain its productive capacity, employment base, political autonomy, strategic security, and living standard. An engineering Task Force on Energy was appointed to provide an informed assessment of the realistic strategies that could be…
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Sequential Dependencies in Driving
ERIC Educational Resources Information Center
Doshi, Anup; Tran, Cuong; Wilder, Matthew H.; Mozer, Michael C.; Trivedi, Mohan M.
2012-01-01
The effect of recent experience on current behavior has been studied extensively in simple laboratory tasks. We explore the nature of sequential effects in the more naturalistic setting of automobile driving. Driving is a safety-critical task in which delayed response times may have severe consequences. Using a realistic driving simulator, we find…
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Disinfection of water decreases waterborne disease. Disinfection byproducts (DBPs) are formed by the reaction of oxidizing disinfectants with inorganic and organic materials in the source water. The U.S. EPA regulates five haloacetic acid (HAA) DBPs as a mixture. The objective ...
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The dependence of stellar properties on initial cloud density
NASA Astrophysics Data System (ADS)
Jones, Michael O.; Bate, Matthew R.
2018-05-01
We investigate the dependence of stellar properties on the initial mean density of the molecular cloud in which stellar clusters form using radiation hydrodynamical simulations that resolve the opacity limit for fragmentation. We have simulated the formation of three star clusters from the gravitational collapse of molecular clouds whose densities vary by a factor of a hundred. As with previous calculations including radiative feedback, we find that the dependence of the characteristic stellar mass, Mc, on the initial mean density of the cloud, ρ, is weaker than the dependence of the thermal Jeans mass. However, unlike previous calculations, which found no statistically significant variation in the median mass with density, we find a weak dependence approximately of the form Mc∝ρ-1/5. The distributions of properties of multiple systems do not vary significantly between the calculations. We compare our results to the result of observational surveys of star-forming regions, and suggest that the similarities between the properties of our lowest density calculation and the nearby Taurus-Auriga region indicate that the apparent excess of solar-type stars observed may be due to the region's low density.
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Active Space Dependence in Multiconfiguration Pair-Density Functional Theory.
Sharma, Prachi; Truhlar, Donald G; Gagliardi, Laura
2018-02-13
In multiconfiguration pair-density functional theory (MC-PDFT), multiconfiguration self-consistent-field calculations and on-top density functionals are combined to describe both static and dynamic correlation. Here, we investigate how the MC-PDFT total energy and its components depend on the active space choice in the case of the H 2 and N 2 molecules. The active space dependence of the on-top pair density, the total density, the ratio of on-top pair density to half the square of the electron density, and the satisfaction of the virial theorem are also explored. We find that the density and on-top pair density do not change significantly with changes in the active space. However, the on-top ratio does change significantly with respect to active space change, and this affects the on-top energy. This study provides a foundation for designing on-top density functionals and automatizing the active space choice in MC-PDFT.
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NASA Astrophysics Data System (ADS)
Okada, Aoi; Nishio, Johji; Iijima, Ryosuke; Ota, Chiharu; Goryu, Akihiro; Miyazato, Masaki; Ryo, Mina; Shinohe, Takashi; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Okumura, Hajime
2018-06-01
To investigate the mechanism of contraction/expansion behavior of Shockley stacking faults (SSFs) in 4H-SiC p–i–n diodes, the dependences of the SSF behavior on temperature and injection current density were investigated by electroluminescence image observation. We investigated the dependences of both triangle- and bar-shaped SSFs on the injection current density at four temperature levels. All SSFs in this study show similar temperature and injection current density dependences. We found that the expansion of SSFs at a high current density was converted to contraction at a certain value as the current decreased and that the value is temperature-dependent. It has been confirmed that SSF behavior, which was considered complex or peculiar, might be explained mainly by the energy change caused by SSFs.
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O'Neil, Shawn T; Bump, Joseph K; Beyer, Dean E
2017-11-01
Understanding landscape patterns in mortality risk is crucial for promoting recovery of threatened and endangered species. Humans affect mortality risk in large carnivores such as wolves ( Canis lupus ), but spatiotemporally varying density dependence can significantly influence the landscape of survival. This potentially occurs when density varies spatially and risk is unevenly distributed. We quantified spatiotemporal sources of variation in survival rates of gray wolves ( C. lupus ) during a 21-year period of population recovery in the Upper Peninsula of Michigan, USA. We focused on mapping risk across time using Cox Proportional Hazards (CPH) models with time-dependent covariates, thus exploring a shifting mosaic of survival. Extended CPH models and time-dependent covariates revealed influences of seasonality, density dependence and experience, as well as individual-level factors and landscape predictors of risk. We used results to predict the shifting landscape of risk at the beginning, middle, and end of the wolf recovery time series. Survival rates varied spatially and declined over time. Long-term change was density-dependent, with landscape predictors such as agricultural land cover and edge densities contributing negatively to survival. Survival also varied seasonally and depended on individual experience, sex, and resident versus transient status. The shifting landscape of survival suggested that increasing density contributed to greater potential for human conflict and wolf mortality risk. Long-term spatial variation in key population vital rates is largely unquantified in many threatened, endangered, and recovering species. Variation in risk may indicate potential for source-sink population dynamics, especially where individuals preemptively occupy suitable territories, which forces new individuals into riskier habitat types as density increases. We encourage managers to explore relationships between adult survival and localized changes in population density. Density-dependent risk maps can identify increasing conflict areas or potential habitat sinks which may persist due to high recruitment in adjacent habitats.
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Samuel, Michael D.; Richards, Bryan J.; Storm, Daniel J.; Rolley, Robert E.; Shelton, Paul; Nicholas S. Keuler,; Timothy R. Van Deelen,
2013-01-01
Host-parasite dynamics and strategies for managing infectious diseases of wildlife depend on the functional relationship between disease transmission rates and host density. However, the disease transmission function is rarely known for free-living wildlife, leading to uncertainty regarding the impacts of diseases on host populations and effective control actions. We evaluated the influence of deer density, landscape features, and soil clay content on transmission of chronic wasting disease (CWD) in young (<2-year-old) white-tailed deer (Odocoileus virginianus) in south-central Wisconsin, USA. We evaluated how frequency-dependent, density-dependent, and intermediate transmission models predicted CWD incidence rates in harvested yearling deer. An intermediate transmission model, incorporating both disease prevalence and density of infected deer, performed better than simple density- and frequency-dependent models. Our results indicate a combination of social structure, non-linear relationships between infectious contact and deer density, and distribution of disease among groups are important factors driving CWD infection in young deer. The landscape covariates % deciduous forest cover and forest edge density also were positively associated with infection rates, but soil clay content had no measurable influences on CWD transmission. Lack of strong density-dependent transmission rates indicates that controlling CWD by reducing deer density will be difficult. The consequences of non-linear disease transmission and aggregation of disease on cervid populations deserves further consideration.
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NASA Astrophysics Data System (ADS)
Fagre, M.; Elias, A. G.; Chum, J.; Cabrera, M. A.
2017-12-01
In the present work, ray tracing of high frequency (HF) signals in ionospheric disturbed conditions is analyzed, particularly in the presence of electron density perturbations generated by gravity waves (GWs). The three-dimensional numerical ray tracing code by Jones and Stephenson, based on Hamilton's equations, which is commonly used to study radio propagation through the ionosphere, is used. An electron density perturbation model is implemented to this code based upon the consideration of atmospheric GWs generated at a height of 150 km in the thermosphere and propagating up into the ionosphere. The motion of the neutral gas at these altitudes induces disturbances in the background plasma which affects HF signals propagation. To obtain a realistic model of GWs in order to analyze the propagation and dispersion characteristics, a GW ray tracing method with kinematic viscosity and thermal diffusivity was applied. The IRI-2012, HWM14 and NRLMSISE-00 models were incorporated to assess electron density, wind velocities, neutral temperature and total mass density needed for the ray tracing codes. Preliminary results of gravity wave effects on ground range and reflection height are presented for low-mid latitude ionosphere.
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Step styles of pedestrians at different densities
NASA Astrophysics Data System (ADS)
Wang, Jiayue; Weng, Wenguo; Boltes, Maik; Zhang, Jun; Tordeux, Antoine; Ziemer, Verena
2018-02-01
Stepping locomotion is the basis of human movement. The investigation of stepping locomotion and its affecting factors is necessary for a more realistic knowledge of human movement, which is usually referred to as walking with equal step lengths for the right and left leg. To study pedestrians’ stepping locomotion, a set of single-file movement experiments involving 39 participants of the same age walking on a highly curved oval course is conducted. The microscopic characteristics of the pedestrians including 1D Voronoi density, speed, and step length are calculated based on a projected coordinate. The influence of the projection lines with different radii on the measurement of these quantities is investigated. The step lengths from the straight and curved parts are compared using the Kolmogorov-Smirnov test. During the experiments, six different step styles are observed and the proportions of different step styles change with the density. At low density, the main step style is the stable-large step style and the step lengths of one pedestrian are almost constant. At high density, some pedestrians adjust and decrease their step lengths. Some pedestrians take relatively smaller and larger steps alternately to adapt to limited space.
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Gao, Nuo; Zhu, S A; He, Bin
2005-06-07
We have developed a new algorithm for magnetic resonance electrical impedance tomography (MREIT), which uses only one component of the magnetic flux density to reconstruct the electrical conductivity distribution within the body. The radial basis function (RBF) network and simplex method are used in the present approach to estimate the conductivity distribution by minimizing the errors between the 'measured' and model-predicted magnetic flux densities. Computer simulations were conducted in a realistic-geometry head model to test the feasibility of the proposed approach. Single-variable and three-variable simulations were performed to estimate the brain-skull conductivity ratio and the conductivity values of the brain, skull and scalp layers. When SNR = 15 for magnetic flux density measurements with the target skull-to-brain conductivity ratio being 1/15, the relative error (RE) between the target and estimated conductivity was 0.0737 +/- 0.0746 in the single-variable simulations. In the three-variable simulations, the RE was 0.1676 +/- 0.0317. Effects of electrode position uncertainty were also assessed by computer simulations. The present promising results suggest the feasibility of estimating important conductivity values within the head from noninvasive magnetic flux density measurements.
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Cubaynes, Sarah; MacNulty, Daniel R; Stahler, Daniel R; Quimby, Kira A; Smith, Douglas W; Coulson, Tim
2014-11-01
Understanding the population dynamics of top-predators is essential to assess their impact on ecosystems and to guide their management. Key to this understanding is identifying the mechanisms regulating vital rates. Determining the influence of density on survival is necessary to understand the extent to which human-caused mortality is compensatory or additive. In wolves (Canis lupus), empirical evidence for density-dependent survival is lacking. Dispersal is considered the principal way in which wolves adjust their numbers to prey supply or compensate for human exploitation. However, studies to date have primarily focused on exploited wolf populations, in which density-dependent mechanisms are likely weak due to artificially low wolf densities. Using 13 years of data on 280 collared wolves in Yellowstone National Park, we assessed the effect of wolf density, prey abundance and population structure, as well as winter severity, on age-specific survival in two areas (prey-rich vs. prey-poor) of the national park. We further analysed cause-specific mortality and explored the factors driving intraspecific aggression in the prey-rich northern area of the park. Overall, survival rates decreased during the study. In northern Yellowstone, density dependence regulated adult survival through an increase in intraspecific aggression, independent of prey availability. In the interior of the park, adult survival was less variable and density-independent, despite reduced prey availability. There was no effect of prey population structure in northern Yellowstone, or of winter severity in either area. Survival was similar among yearlings and adults, but lower for adults older than 6 years. Our results indicate that density-dependent intraspecific aggression is a major driver of adult wolf survival in northern Yellowstone, suggesting intrinsic density-dependent mechanisms have the potential to regulate wolf populations at high ungulate densities. When low prey availability or high removal rates maintain wolves at lower densities, limited inter-pack interactions may prevent density-dependent survival, consistent with our findings in the interior of the park. © 2014 The Authors. Journal of Animal Ecology © 2014 British Ecological Society.
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Diagnostics in Japan's microgravity experiments
NASA Technical Reports Server (NTRS)
Kadota, Toshikazu
1995-01-01
The achievement of the combustion research under microgravity depends substantially on the availability of diagnostic systems. The non-intrusive diagnostic systems are potentially applicable for providing the accurate, realistic and detailed information on momentum, mass and energy transport, complex gas phase chemistry, and phase change in the combustion field under microgravity. The non-intrusive nature of optical instruments is essential to the measurement of combustion process under microgravity which is very nervous to any perturbation. However, the implementation of the non-intrusive combustion diagnostic systems under microgravity is accompanied by several constraints. Usually, a very limited space is only available for constructing a highly sophisticated system which is so sensitive that it is easily affected by the magnitude of the gravitational force, vibration and heterogeneous field of temperature and density of the environments. The system should be properly adjusted prior to the experiment. Generally, it is quite difficult to tune the instruments during measurements. The programmed sequence of operation should also be provided. Extensive effort has been toward the development of non-intrusive diagnostic systems available for the combustion experiments under microgravity. This paper aims to describe the current art and the future strategy on the non-intrusive diagnostic systems potentially applicable to the combustion experiments under microgravity in Japan.
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Nonlinear synthesis of infrasound propagation through an inhomogeneous, absorbing atmosphere.
de Groot-Hedlin, C D
2012-08-01
An accurate and efficient method to predict infrasound amplitudes from large explosions in the atmosphere is required for diverse source types, including bolides, volcanic eruptions, and nuclear and chemical explosions. A finite-difference, time-domain approach is developed to solve a set of nonlinear fluid dynamic equations for total pressure, temperature, and density fields rather than acoustic perturbations. Three key features for the purpose of synthesizing nonlinear infrasound propagation in realistic media are that it includes gravitational terms, it allows for acoustic absorption, including molecular vibration losses at frequencies well below the molecular vibration frequencies, and the environmental models are constrained to have axial symmetry, allowing a three-dimensional simulation to be reduced to two dimensions. Numerical experiments are performed to assess the algorithm's accuracy and the effect of source amplitudes and atmospheric variability on infrasound waveforms and shock formation. Results show that infrasound waveforms steepen and their associated spectra are shifted to higher frequencies for nonlinear sources, leading to enhanced infrasound attenuation. Results also indicate that nonlinear infrasound amplitudes depend strongly on atmospheric temperature and pressure variations. The solution for total field variables and insertion of gravitational terms also allows for the computation of other disturbances generated by explosions, including gravity waves.
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Plasmons driven by single electrons in graphene nanoislands
NASA Astrophysics Data System (ADS)
Manjavacas, Alejandro; Thongrattanasiri, Sukosin; de Abajo, F. Javier García
2013-04-01
Plasmons produce large confinement and enhancement of light that enable applications as varied as cancer therapy and catalysis. Adding to these appealing properties, graphene has emerged as a robust, electrically tunable material exhibiting plasmons that strongly depend on the density of doping charges. Here we show that adding a single electron to a graphene nanoisland consisting of hundreds or thousands of atoms switches on infrared plasmons that were previously absent from the uncharged structure. Remarkably, the addition of each further electron produces a dramatic frequency shift. Plasmons in these islands are shown to be tunable down to near infrared wavelengths. These phenomena are highly sensitive to carbon edges. Specifically, armchair nanotriangles display sharp plasmons that are associated with intense near-field enhancement, as well as absorption cross-sections exceeding the geometrical area occupied by the graphene. In contrast, zigzag triangles do not support these plasmons. Our conclusions rely on realistic quantum-mechanical calculations, which are in ostensible disagreement with classical electromagnetic simulations, thus revealing the quantum nature of the plasmons. This study shows a high sensitivity of graphene nanoislands to elementary charges, therefore emphasizing their great potential for novel nano-optoelectronics applications.
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Airy structure in 16O+14C nuclear rainbow scattering
NASA Astrophysics Data System (ADS)
Ohkubo, S.; Hirabayashi, Y.
2015-08-01
The Airy structure in 16 O +14 C rainbow scattering is studied with an extended double-folding (EDF) model that describes all the diagonal and off-diagonal coupling potentials derived from the microscopic realistic wave functions for 16 O by using a density-dependent nucleon-nucleon force. The experimental angular distributions at EL=132 , 281, and 382.2 MeV are well reproduced by the calculations. By studying the energy evolution of the Airy structure, the Airy minimum around θ =76∘ in the angular distribution at EL=132 MeV is assigned as the second-order Airy minimum A 2 in contrast to the recent literature which assigns it as the third order A 3 . The Airy minima in the 90∘ excitation function is investigated in comparison with well-known 16 O +16 O and 12 C +12 C systems. Evolution of the Airy structure into the molecular resonances with the 16 O +14 C cluster structure in the low-energy region around Ec .m .=30 MeV is discussed. It is predicted theoretically for the first time for a non-4 N 16O +14 C system that Airy elephants in the 90∘ excitation function are present.
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Optical properties of volcanic ash: improving remote sensing observations.
NASA Astrophysics Data System (ADS)
Whelley, Patrick; Colarco, Peter; Aquila, Valentina; Krotkov, Nickolay; Bleacher, Jake; Garry, Brent; Young, Kelsey; Rocha Lima, Adriana; Martins, Vanderlei; Carn, Simon
2016-04-01
Many times each year explosive volcanic eruptions loft ash into the atmosphere. Global travel and trade rely on aircraft vulnerable to encounters with airborne ash. Volcanic ash advisory centers (VAACs) rely on dispersion forecasts and satellite data to issue timely warnings. To improve ash forecasts model developers and satellite data providers need realistic information about volcanic ash microphysical and optical properties. In anticipation of future large eruptions we can study smaller events to improve our remote sensing and modeling skills so when the next Pinatubo 1991 or larger eruption occurs, ash can confidently be tracked in a quantitative way. At distances >100km from their sources, drifting ash plumes, often above meteorological clouds, are not easily detected from conventional remote sensing platforms, save deriving their quantitative characteristics, such as mass density. Quantitative interpretation of these observations depends on a priori knowledge of the spectral optical properties of the ash in UV (>0.3μm) and TIR wavelengths (>10μm). Incorrect assumptions about the optical properties result in large errors in inferred column mass loading and size distribution, which misguide operational ash forecasts. Similarly, simulating ash properties in global climate models also requires some knowledge of optical properties to improve aerosol speciation.
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Theoretical insight of adsorption thermodynamics of multifunctional molecules on metal surfaces
NASA Astrophysics Data System (ADS)
Loffreda, David
2006-05-01
Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries.
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Impact of Space-Charge Layers on Sudden Death in Li/O2 Batteries.
Radin, Maxwell D; Monroe, Charles W; Siegel, Donald J
2015-08-06
The performance of Li/O2 batteries is thought to be limited by charge transport through the solid Li2O2 discharge product. Prior studies suggest that electron tunneling is the main transport mechanism through thin, compact Li2O2 deposits. The present study employs a new continuum transport model to explore an alternative scenario, in which charge transport is mediated by polaron hopping. Unlike earlier models, which assume a uniform carrier concentration or local electroneutrality, the possibility of nonuniform space charge is accounted for at the Li2O2/electrolyte and Li2O2/electrode interfaces, providing a more realistic picture of transport in Li2O2 films. The temperature and current-density dependences of the discharge curves predicted by the model are in good agreement with flat-electrode experiments over a wide range of rates, supporting the hypothesis that polaron hopping contributes significantly to charge transport. Exercising the model suggests that this mechanism could explain the observed enhancement in cell performance at elevated temperature and that performance could be further improved by tuning the interfacial orientation of Li2O2 crystallites.
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Revealing the Adsorption Mechanisms of Nitroxides on Ultrapure, Metallicity-Sorted Carbon Nanotubes
2014-01-01
Carbon nanotubes are a natural choice as gas sensor components given their high surface to volume ratio, electronic properties, and capability to mediate chemical reactions. However, a realistic assessment of the interaction of the tube wall and the adsorption processes during gas phase reactions has always been elusive. Making use of ultraclean single-walled carbon nanotubes, we have followed the adsorption kinetics of NO2 and found a physisorption mechanism. Additionally, the adsorption reaction directly depends on the metallic character of the samples. Franck–Condon satellites, hitherto undetected in nanotube–NOx systems, were resolved in the N 1s X-ray absorption signal, revealing a weak chemisorption, which is intrinsically related to NO dimer molecules. This has allowed us to identify that an additional signal observed in the higher binding energy region of the core level C 1s photoemission signal is due to the C=O species of ketene groups formed as reaction byproducts . This has been supported by density functional theory calculations. These results pave the way toward the optimization of nanotube-based sensors with tailored sensitivity and selectivity to different species at room temperature. PMID:24404865
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Theoretical study of impurity effects in iron-based superconductors
NASA Astrophysics Data System (ADS)
Navarro Gastiasoro, Maria; Hirschfeld, Peter; Andersen, Brian
2013-03-01
Several open questions remain unanswered for the iron-based superconductors (FeSC), including the importance of electronic correlations and the symmetry of the superconducting order parameter. Motivated by recent STM experiments which show a fascinating variety of resonant defect states in FeSC, we adopt a realistic five-band model including electronic Coulomb correlations to study local effects of disorder in the FeSC. In order to minimize the number of free parameters, we use the pairing interactions obtained from spin-fluctuation exchange to determine the homogeneous superconducting state. The ability of local impurity potentials to induce resonant states depends on their scattering strength Vimp; in addition, for appropriate Vimp, such states are associated with local orbital- and magnetic order. We investigate the density of states near such impurities and show how tunneling experiments may be used to probe local induced order. In the SDW phase, we show how C2 symmetry-breaking dimers are naturally formed around impurities which also form cigar-like (pi,pi) structures embedded in the (pi,0) magnetic bulk phase. Such electronic dimers have been shown to be candidates for explaining the so-called nematogens observed previously by QPI in Co-doped CaFe2As2.
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Hanford, Amanda D; O'Connor, Patrick D; Anderson, James B; Long, Lyle N
2008-06-01
In the current study, real gas effects in the propagation of sound waves are simulated using the direct simulation Monte Carlo method for a wide range of frequencies. This particle method allows for treatment of acoustic phenomena at high Knudsen numbers, corresponding to low densities and a high ratio of the molecular mean free path to wavelength. Different methods to model the internal degrees of freedom of diatomic molecules and the exchange of translational, rotational and vibrational energies in collisions are employed in the current simulations of a diatomic gas. One of these methods is the fully classical rigid-rotor/harmonic-oscillator model for rotation and vibration. A second method takes into account the discrete quantum energy levels for vibration with the closely spaced rotational levels classically treated. This method gives a more realistic representation of the internal structure of diatomic and polyatomic molecules. Applications of these methods are investigated in diatomic nitrogen gas in order to study the propagation of sound and its attenuation and dispersion along with their dependence on temperature. With the direct simulation method, significant deviations from continuum predictions are also observed for high Knudsen number flows.
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Electromagnetic Electron Cyclotron Instability in the Solar Wind
NASA Astrophysics Data System (ADS)
Lazar, M.; Yoon, P. H.; López, R. A.; Moya, P. S.
2018-01-01
The abundant reports on the existence of electromagnetic high-frequency fluctuations in space plasmas have increased the expectations that theoretical modeling may help understand their origins and implications (e.g., kinetic instabilities and dissipation). This paper presents an extended quasi-linear approach of the electromagnetic electron cyclotron instability in conditions typical for the solar wind, where the anisotropic electrons (T⊥>T∥) exhibit a dual distribution combining a bi-Maxwellian core and bi-Kappa halo. Involving both the core and halo populations, the instability is triggered by the cumulative effects of these components, mainly depending of their anisotropies. The instability is not very sensitive to the shape of halo distribution function conditioned in this case by the power index κ. This result seems to be a direct consequence of the low density of electron halo, which is assumed more dilute than the core component in conformity with the observations in the ecliptic. Quasi-linear time evolutions predicted by the theory are confirmed by the particle-in-cell simulations, which also suggest possible explanations for the inherent differences determined by theoretical constraints. These results provide premises for an advanced methodology to characterize, realistically, the electromagnetic electron cyclotron instability and its implication in the solar wind.
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Thomas, Michael; Corry, Ben
2016-01-01
Membranes made from nanomaterials such as nanotubes and graphene have been suggested to have a range of applications in water filtration and desalination, but determining their suitability for these purposes requires an accurate assessment of the properties of these novel materials. In this study, we use molecular dynamics simulations to determine the permeability and salt rejection capabilities for membranes incorporating carbon nanotubes (CNTs) at a range of pore sizes, pressures and concentrations. We include the influence of osmotic gradients and concentration build up and simulate at realistic pressures to improve the reliability of estimated membrane transport properties. We find that salt rejection is highly dependent on the applied hydrostatic pressure, meaning high rejection can be achieved with wider tubes than previously thought; while membrane permeability depends on salt concentration. The ideal size of the CNTs for desalination applications yielding high permeability and high salt rejection is found to be around 1.1 nm diameter. While there are limited energy gains to be achieved in using ultra-permeable CNT membranes in desalination by reverse osmosis, such membranes may allow for smaller plants to be built as is required when size or weight must be minimized. There are diminishing returns in further increasing membrane permeability, so efforts should focus on the fabrication of membranes containing narrow or functionalized CNTs that yield the desired rejection or selection properties rather than trying to optimize pore densities. PMID:26712639
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NASA Astrophysics Data System (ADS)
Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.
2015-11-01
Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.
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Neuron Morphology Influences Axon Initial Segment Plasticity.
Gulledge, Allan T; Bravo, Jaime J
2016-01-01
In most vertebrate neurons, action potentials are initiated in the axon initial segment (AIS), a specialized region of the axon containing a high density of voltage-gated sodium and potassium channels. It has recently been proposed that neurons use plasticity of AIS length and/or location to regulate their intrinsic excitability. Here we quantify the impact of neuron morphology on AIS plasticity using computational models of simplified and realistic somatodendritic morphologies. In small neurons (e.g., dentate granule neurons), excitability was highest when the AIS was of intermediate length and located adjacent to the soma. Conversely, neurons having larger dendritic trees (e.g., pyramidal neurons) were most excitable when the AIS was longer and/or located away from the soma. For any given somatodendritic morphology, increasing dendritic membrane capacitance and/or conductance favored a longer and more distally located AIS. Overall, changes to AIS length, with corresponding changes in total sodium conductance, were far more effective in regulating neuron excitability than were changes in AIS location, while dendritic capacitance had a larger impact on AIS performance than did dendritic conductance. The somatodendritic influence on AIS performance reflects modest soma-to-AIS voltage attenuation combined with neuron size-dependent changes in AIS input resistance, effective membrane time constant, and isolation from somatodendritic capacitance. We conclude that the impact of AIS plasticity on neuron excitability will depend largely on somatodendritic morphology, and that, in some neurons, a shorter or more distally located AIS may promote, rather than limit, action potential generation.
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NASA Astrophysics Data System (ADS)
Arifler, Dizem; MacAulay, Calum; Follen, Michele; Guillaud, Martial
2013-06-01
Dysplastic progression is known to be associated with changes in morphology and internal structure of cells. A detailed assessment of the influence of these changes on cellular scattering response is needed to develop and optimize optical diagnostic techniques. In this study, we first analyzed a set of quantitative histopathologic images from cervical biopsies and we obtained detailed information on morphometric and photometric features of segmented epithelial cell nuclei. Morphometric parameters included average size and eccentricity of the best-fit ellipse. Photometric parameters included optical density measures that can be related to dielectric properties and texture characteristics of the nuclei. These features enabled us to construct realistic three-dimensional computational models of basal, parabasal, intermediate, and superficial cell nuclei that were representative of four diagnostic categories, namely normal (or negative for dysplasia), mild dysplasia, moderate dysplasia, and severe dysplasia or carcinoma in situ. We then employed the finite-difference time-domain method, a popular numerical tool in electromagnetics, to compute the angle-resolved light scattering properties of these representative models. Results indicated that a high degree of variability can characterize a given diagnostic category, but scattering from moderately and severely dysplastic or cancerous nuclei was generally observed to be stronger compared to scattering from normal and mildly dysplastic nuclei. Simulation results also pointed to significant intensity level variations among different epithelial depths. This suggests that intensity changes associated with dysplastic progression need to be analyzed in a depth-dependent manner.
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Differential porosimetry and permeametry for random porous media.
Hilfer, R; Lemmer, A
2015-07-01
Accurate determination of geometrical and physical properties of natural porous materials is notoriously difficult. Continuum multiscale modeling has provided carefully calibrated realistic microstructure models of reservoir rocks with floating point accuracy. Previous measurements using synthetic microcomputed tomography (μ-CT) were based on extrapolation of resolution-dependent properties for discrete digitized approximations of the continuum microstructure. This paper reports continuum measurements of volume and specific surface with full floating point precision. It also corrects an incomplete description of rotations in earlier publications. More importantly, the methods of differential permeametry and differential porosimetry are introduced as precision tools. The continuum microstructure chosen to exemplify the methods is a homogeneous, carefully calibrated and characterized model for Fontainebleau sandstone. The sample has been publicly available since 2010 on the worldwide web as a benchmark for methodical studies of correlated random media. High-precision porosimetry gives the volume and internal surface area of the sample with floating point accuracy. Continuum results with floating point precision are compared to discrete approximations. Differential porosities and differential surface area densities allow geometrical fluctuations to be discriminated from discretization effects and numerical noise. Differential porosimetry and Fourier analysis reveal subtle periodic correlations. The findings uncover small oscillatory correlations with a period of roughly 850μm, thus implying that the sample is not strictly stationary. The correlations are attributed to the deposition algorithm that was used to ensure the grain overlap constraint. Differential permeabilities are introduced and studied. Differential porosities and permeabilities provide scale-dependent information on geometry fluctuations, thereby allowing quantitative error estimates.
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Neuron Morphology Influences Axon Initial Segment Plasticity123
2016-01-01
In most vertebrate neurons, action potentials are initiated in the axon initial segment (AIS), a specialized region of the axon containing a high density of voltage-gated sodium and potassium channels. It has recently been proposed that neurons use plasticity of AIS length and/or location to regulate their intrinsic excitability. Here we quantify the impact of neuron morphology on AIS plasticity using computational models of simplified and realistic somatodendritic morphologies. In small neurons (e.g., dentate granule neurons), excitability was highest when the AIS was of intermediate length and located adjacent to the soma. Conversely, neurons having larger dendritic trees (e.g., pyramidal neurons) were most excitable when the AIS was longer and/or located away from the soma. For any given somatodendritic morphology, increasing dendritic membrane capacitance and/or conductance favored a longer and more distally located AIS. Overall, changes to AIS length, with corresponding changes in total sodium conductance, were far more effective in regulating neuron excitability than were changes in AIS location, while dendritic capacitance had a larger impact on AIS performance than did dendritic conductance. The somatodendritic influence on AIS performance reflects modest soma-to-AIS voltage attenuation combined with neuron size-dependent changes in AIS input resistance, effective membrane time constant, and isolation from somatodendritic capacitance. We conclude that the impact of AIS plasticity on neuron excitability will depend largely on somatodendritic morphology, and that, in some neurons, a shorter or more distally located AIS may promote, rather than limit, action potential generation. PMID:27022619
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Kikugawa, Gota; Ando, Shotaro; Suzuki, Jo; Naruke, Yoichi; Nakano, Takeo; Ohara, Taku
2015-01-14
In the present study, molecular dynamics (MD) simulations on the monatomic Lennard-Jones liquid in a periodic boundary system were performed in order to elucidate the effect of the computational domain size and shape on the self-diffusion coefficient measured by the system. So far, the system size dependence in cubic computational domains has been intensively investigated and these studies showed that the diffusion coefficient depends linearly on the inverse of the system size, which is theoretically predicted based on the hydrodynamic interaction. We examined the system size effect not only in the cubic cell systems but also in rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept constant. As a result, the diffusion coefficient in the direction perpendicular to the long side of the rectangular cell significantly increases more or less linearly with the side length. On the other hand, the diffusion coefficient in the direction along the long side is almost constant or slightly decreases. Consequently, anisotropy of the diffusion coefficient emerges in a rectangular cell with periodic boundary conditions even in a bulk liquid simulation. This unexpected result is of critical importance because rectangular fluid systems confined in nanospace, which are present in realistic nanoscale technologies, have been widely studied in recent MD simulations. In order to elucidate the underlying mechanism for this serious system shape effect on the diffusion property, the correlation structures of particle velocities were examined.
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Sass, G.G.; Hewett, S.W.; Beard, T.D.; Fayram, A.H.; Kitchell, J.F.
2004-01-01
We assessed density-related changes in growth of walleye Sander vitreus in the ceded territory of northern Wisconsin from 1977 to 1999. We used asymptotic length (Lz), growth rate near t0 (??), and body condition as measures of walleye growth to determine the relationship between growth and density. Among lakes, there was weak evidence of density-dependent growth: adult density explained only 0-6% of the variability in the growth metrics. Within lakes, growth was density dependent. Lz, ??, and body condition of walleyes changing with density for 69, 28, and 62% of the populations examined, respectively. Our results suggest that walleye growth was density dependent within individual lakes. However, growth was not coherently density dependent among lakes, which was possibly due to inherent differences in the productivity, surface area, forage base, landscape position, species composition, and management regime of lakes in the ceded territory. Densities of adult walleyes averaged 8.3 fish/ha and did not change significantly during 1990-1999. Mean Lz and body condition of walleyes were signilicantly higher before 1990 than after 1990, which may indicate an increase in density due to changes in management regimes. The observed growth changes do not appear to be a consequence of the statewide 15-in minimum size limit adopted in 1990 but rather a response to the treaty rights management regime. We conclude that walleye growth has the potential to predict regional-scale adult walleye densities if lake-specific variables are included in a model to account for regional-scale differences among walleye populations and lakes.
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Watching excitons move: the time-dependent transition density matrix
NASA Astrophysics Data System (ADS)
Ullrich, Carsten
2012-02-01
Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.
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Density dependence in a recovering osprey population: demographic and behavioural processes.
Bretagnolle, V; Mougeot, F; Thibault, J-C
2008-09-01
1. Understanding how density-dependent and independent processes influence demographic parameters, and hence regulate population size, is fundamental within population ecology. We investigated density dependence in growth rate and fecundity in a recovering population of a semicolonial raptor, the osprey Pandion haliaetus [Linnaeus, 1758], using 31 years of count and demographic data in Corsica. 2. The study population increased from three pairs in 1974 to an average of 22 pairs in the late 1990s, with two distinct phases during the recovery (increase followed by stability) and contrasted trends in breeding parameters in each phase. 3. We show density dependence in population growth rate in the second phase, indicating that the stabilized population was regulated. We also show density dependence in productivity (fledging success between years and hatching success within years). 4. Using long-term data on behavioural interactions at nest sites, and on diet and fish provisioning rate, we evaluated two possible mechanisms of density dependence in productivity, food depletion and behavioural interference. 5. As density increased, both provisioning rate and the size of prey increased, contrary to predictions of a food-depletion mechanism. In the time series, a reduction in fledging success coincided with an increase in the number of non-breeders. Hatching success decreased with increasing local density and frequency of interactions with conspecifics, suggesting that behavioural interference was influencing hatching success. 6. Our study shows that, taking into account the role of non-breeders, in particular in species or populations where there are many floaters and where competition for nest sites is intense, can improve our understanding of density-dependent processes and help conservation actions.
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Areal density optimizations for heat-assisted magnetic recording of high-density media
NASA Astrophysics Data System (ADS)
Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter; Praetorius, Dirk
2016-06-01
Heat-assisted magnetic recording (HAMR) is hoped to be the future recording technique for high-density storage devices. Nevertheless, there exist several realization strategies. With a coarse-grained Landau-Lifshitz-Bloch model, we investigate in detail the benefits and disadvantages of a continuous and pulsed laser spot recording of shingled and conventional bit-patterned media. Additionally, we compare single-phase grains and bits having a bilayer structure with graded Curie temperature, consisting of a hard magnetic layer with high TC and a soft magnetic one with low TC, respectively. To describe the whole write process as realistically as possible, a distribution of the grain sizes and Curie temperatures, a displacement jitter of the head, and the bit positions are considered. For all these cases, we calculate bit error rates of various grain patterns, temperatures, and write head positions to optimize the achievable areal storage density. Within our analysis, shingled HAMR with a continuous laser pulse moving over the medium reaches the best results and thus has the highest potential to become the next-generation storage device.
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Simple model of surface roughness for binary collision sputtering simulations
NASA Astrophysics Data System (ADS)
Lindsey, Sloan J.; Hobler, Gerhard; Maciążek, Dawid; Postawa, Zbigniew
2017-02-01
It has been shown that surface roughness can strongly influence the sputtering yield - especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the "density gradient model") which imitates surface roughness effects. In the model, the target's atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient - leading to increased sputtering yields, similar in effect to surface roughness.
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Eco-genetic modeling of contemporary life-history evolution.
Dunlop, Erin S; Heino, Mikko; Dieckmann, Ulf
2009-10-01
We present eco-genetic modeling as a flexible tool for exploring the course and rates of multi-trait life-history evolution in natural populations. We build on existing modeling approaches by combining features that facilitate studying the ecological and evolutionary dynamics of realistically structured populations. In particular, the joint consideration of age and size structure enables the analysis of phenotypically plastic populations with more than a single growth trajectory, and ecological feedback is readily included in the form of density dependence and frequency dependence. Stochasticity and life-history trade-offs can also be implemented. Critically, eco-genetic models permit the incorporation of salient genetic detail such as a population's genetic variances and covariances and the corresponding heritabilities, as well as the probabilistic inheritance and phenotypic expression of quantitative traits. These inclusions are crucial for predicting rates of evolutionary change on both contemporary and longer timescales. An eco-genetic model can be tightly coupled with empirical data and therefore may have considerable practical relevance, in terms of generating testable predictions and evaluating alternative management measures. To illustrate the utility of these models, we present as an example an eco-genetic model used to study harvest-induced evolution of multiple traits in Atlantic cod. The predictions of our model (most notably that harvesting induces a genetic reduction in age and size at maturation, an increase or decrease in growth capacity depending on the minimum-length limit, and an increase in reproductive investment) are corroborated by patterns observed in wild populations. The predicted genetic changes occur together with plastic changes that could phenotypically mask the former. Importantly, our analysis predicts that evolutionary changes show little signs of reversal following a harvest moratorium. This illustrates how predictions offered by eco-genetic models can enable and guide evolutionarily sustainable resource management.
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Theory of the reaction dynamics of small molecules on metal surfaces
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jackson, Bret
The objective of this project has been to develop realistic theoretical models for gas-surface interactions, with a focus on processes important in heterogeneous catalysis. The dissociative chemisorption of a molecule on a metal is a key step in many catalyzed reactions, and is often the rate-limiting step. We have explored the dissociative chemisorption of H 2, H 2O and CH 4 on a variety of metal surfaces. Most recently, our extensive studies of methane dissociation on Ni and Pt surfaces have fully elucidated its dependence on translational energy, vibrational state and surface temperature, providing the first accurate comparisons with experimentalmore » data. We have explored Eley-Rideal and hot atom reactions of H atoms with H- and C-covered metal surfaces. H atom interactions with graphite have also been explored, including both sticking and Eley-Rideal recombination processes. Again, our methods made it possible to explain several experiments studying these reactions. The sticking of atoms on metal surfaces has also been studied. To help elucidate the experiments that study these processes, we examine how the reaction dynamics depend upon the nature of the molecule-metal interaction, as well as experimental variables such as substrate temperature, beam energy, angle of impact, and the internal states of the molecules. Electronic structure methods based on Density Functional Theory are used to compute each molecule-metal potential energy surface. Both time-dependent quantum scattering techniques and quasi-classical methods are used to examine the reaction or scattering dynamics. Much of our effort has been directed towards developing improved quantum methods that can accurately describe reactions, as well as include the effects of substrate temperature (lattice vibration).« less
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Management of complex dynamical systems
NASA Astrophysics Data System (ADS)
MacKay, R. S.
2018-02-01
Complex dynamical systems are systems with many interdependent components which evolve in time. One might wish to control their trajectories, but a more practical alternative is to control just their statistical behaviour. In many contexts this would be both sufficient and a more realistic goal, e.g. climate and socio-economic systems. I refer to it as ‘management’ of complex dynamical systems. In this paper, some mathematics for management of complex dynamical systems is developed in the weakly dependent regime, and questions are posed for the strongly dependent regime.
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Theory of magnetoelectric response in Co4Nb2O9
NASA Astrophysics Data System (ADS)
Yanagi, Yuki; Hayami, Satoru; Kusunose, Hiroaki
2018-05-01
The mechanism of the observed novel magnetoelectric effects in Co4Nb2O9 is addressed by calculating the magnetoelectric tensor of the realistic effective model derived from the first principles calculation. The obtained magnetic-field angle dependence of the electric polarization qualitatively reproduces the experimental result. It is shown that the orbital contribution dominates the magnetoelectric response and the angle dependence can be understood by the first order perturbation with respect to the spin-orbit coupling.
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Analysis of Crystallization Kinetics
NASA Technical Reports Server (NTRS)
Kelton, Kenneth F.
1997-01-01
A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.
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Sofaer, Helen R; Sillett, T Scott; Langin, Kathryn M; Morrison, Scott A; Ghalambor, Cameron K
2014-01-01
Ecological factors often shape demography through multiple mechanisms, making it difficult to identify the sources of demographic variation. In particular, conspecific density can influence both the strength of competition and the predation rate, but density-dependent competition has received more attention, particularly among terrestrial vertebrates and in island populations. A better understanding of how both competition and predation contribute to density-dependent variation in fecundity can be gained by partitioning the effects of density on offspring number from its effects on reproductive failure, while also evaluating how biotic and abiotic factors jointly shape demography. We examined the effects of population density and precipitation on fecundity, nest survival, and adult survival in an insular population of orange-crowned warblers (Oreothlypis celata) that breeds at high densities and exhibits a suite of traits suggesting strong intraspecific competition. Breeding density had a negative influence on fecundity, but it acted by increasing the probability of reproductive failure through nest predation, rather than through competition, which was predicted to reduce the number of offspring produced by successful individuals. Our results demonstrate that density-dependent nest predation can underlie the relationship between population density and fecundity even in a high-density, insular population where intraspecific competition should be strong. PMID:25077023
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Sofaer, Helen R; Sillett, T Scott; Langin, Kathryn M; Morrison, Scott A; Ghalambor, Cameron K
2014-07-01
Ecological factors often shape demography through multiple mechanisms, making it difficult to identify the sources of demographic variation. In particular, conspecific density can influence both the strength of competition and the predation rate, but density-dependent competition has received more attention, particularly among terrestrial vertebrates and in island populations. A better understanding of how both competition and predation contribute to density-dependent variation in fecundity can be gained by partitioning the effects of density on offspring number from its effects on reproductive failure, while also evaluating how biotic and abiotic factors jointly shape demography. We examined the effects of population density and precipitation on fecundity, nest survival, and adult survival in an insular population of orange-crowned warblers (Oreothlypis celata) that breeds at high densities and exhibits a suite of traits suggesting strong intraspecific competition. Breeding density had a negative influence on fecundity, but it acted by increasing the probability of reproductive failure through nest predation, rather than through competition, which was predicted to reduce the number of offspring produced by successful individuals. Our results demonstrate that density-dependent nest predation can underlie the relationship between population density and fecundity even in a high-density, insular population where intraspecific competition should be strong.
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NASA Astrophysics Data System (ADS)
Blaauw, Maarten; Christen, J. Andrés; Bennett, K. D.; Reimer, Paula J.
2018-05-01
Reliable chronologies are essential for most Quaternary studies, but little is known about how age-depth model choice, as well as dating density and quality, affect the precision and accuracy of chronologies. A meta-analysis suggests that most existing late-Quaternary studies contain fewer than one date per millennium, and provide millennial-scale precision at best. We use existing and simulated sediment cores to estimate what dating density and quality are required to obtain accurate chronologies at a desired precision. For many sites, a doubling in dating density would significantly improve chronologies and thus their value for reconstructing and interpreting past environmental changes. Commonly used classical age-depth models stop becoming more precise after a minimum dating density is reached, but the precision of Bayesian age-depth models which take advantage of chronological ordering continues to improve with more dates. Our simulations show that classical age-depth models severely underestimate uncertainty and are inaccurate at low dating densities, and also perform poorly at high dating densities. On the other hand, Bayesian age-depth models provide more realistic precision estimates, including at low to average dating densities, and are much more robust against dating scatter and outliers. Indeed, Bayesian age-depth models outperform classical ones at all tested dating densities, qualities and time-scales. We recommend that chronologies should be produced using Bayesian age-depth models taking into account chronological ordering and based on a minimum of 2 dates per millennium.
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Hydrogenation Reactions on Au/TiC(001): Effects of Au-C Interactions on the Dissociation of H-2
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rodriguez, J.A.; Florez, E.; Gomez, T.
2010-10-01
Density functional calculations carried out for realistic models evidence that Au particles supported on TiC(001) are very active towards H2 dissociation. The molecular mechanisms show that the support is not a mere spectator but plays a major role in the catalyzed reaction and acts as a reservoir of atomic H, making this system an excellent candidate as a catalyst for the hydrogenation of olefins and hydrodesulfurization reactions.
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Techniques for interpretation of geoid anomalies
NASA Technical Reports Server (NTRS)
Chapman, M. E.
1979-01-01
For purposes of geological interpretation, techniques are developed to compute directly the geoid anomaly over models of density within the earth. Ideal bodies such as line segments, vertical sheets, and rectangles are first used to calculate the geoid anomaly. Realistic bodies are modeled with formulas for two-dimensional polygons and three-dimensional polyhedra. By using Fourier transform methods the two-dimensional geoid is seen to be a filtered version of the gravity field, in which the long-wavelength components are magnified and the short-wavelength components diminished.
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Characterization of Cloud Water-Content Distribution
NASA Technical Reports Server (NTRS)
Lee, Seungwon
2010-01-01
The development of realistic cloud parameterizations for climate models requires accurate characterizations of subgrid distributions of thermodynamic variables. To this end, a software tool was developed to characterize cloud water-content distributions in climate-model sub-grid scales. This software characterizes distributions of cloud water content with respect to cloud phase, cloud type, precipitation occurrence, and geo-location using CloudSat radar measurements. It uses a statistical method called maximum likelihood estimation to estimate the probability density function of the cloud water content.
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High-efficiency AlGaAs-GaAs Cassegrainian concentrator cells
NASA Technical Reports Server (NTRS)
Werthen, J. G.; Hamaker, H. C.; Virshup, G. F.; Lewis, C. R.; Ford, C. W.
1985-01-01
AlGaAs-GaAs heteroface space concentrator solar cells have been fabricated by metalorganic chemical vapor deposition. AMO efficiencies as high as 21.1% have been observed both for p-n and np structures under concentration (90 to 100X) at 25 C. Both cell structures are characterized by high quantum efficiencies and their performances are close to those predicted by a realistic computer model. In agreement with the computer model, the n-p cell exhibits a higher short-circuit current density.
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NASA Astrophysics Data System (ADS)
Contreras, Arturo Javier
This dissertation describes a novel Amplitude-versus-Angle (AVA) inversion methodology to quantitatively integrate pre-stack seismic data, well logs, geologic data, and geostatistical information. Deterministic and stochastic inversion algorithms are used to characterize flow units of deepwater reservoirs located in the central Gulf of Mexico. A detailed fluid/lithology sensitivity analysis was conducted to assess the nature of AVA effects in the study area. Standard AVA analysis indicates that the shale/sand interface represented by the top of the hydrocarbon-bearing turbidite deposits generate typical Class III AVA responses. Layer-dependent Biot-Gassmann analysis shows significant sensitivity of the P-wave velocity and density to fluid substitution, indicating that presence of light saturating fluids clearly affects the elastic response of sands. Accordingly, AVA deterministic and stochastic inversions, which combine the advantages of AVA analysis with those of inversion, have provided quantitative information about the lateral continuity of the turbidite reservoirs based on the interpretation of inverted acoustic properties and fluid-sensitive modulus attributes (P-Impedance, S-Impedance, density, and LambdaRho, in the case of deterministic inversion; and P-velocity, S-velocity, density, and lithotype (sand-shale) distributions, in the case of stochastic inversion). The quantitative use of rock/fluid information through AVA seismic data, coupled with the implementation of co-simulation via lithotype-dependent multidimensional joint probability distributions of acoustic/petrophysical properties, provides accurate 3D models of petrophysical properties such as porosity, permeability, and water saturation. Pre-stack stochastic inversion provides more realistic and higher-resolution results than those obtained from analogous deterministic techniques. Furthermore, 3D petrophysical models can be more accurately co-simulated from AVA stochastic inversion results. By combining AVA sensitivity analysis techniques with pre-stack stochastic inversion, geologic data, and awareness of inversion pitfalls, it is possible to substantially reduce the risk in exploration and development of conventional and non-conventional reservoirs. From the final integration of deterministic and stochastic inversion results with depositional models and analogous examples, the M-series reservoirs have been interpreted as stacked terminal turbidite lobes within an overall fan complex (the Miocene MCAVLU Submarine Fan System); this interpretation is consistent with previous core data interpretations and regional stratigraphic/depositional studies.
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Species-to-species rate coefficients for the H3+ + H2 reacting system
NASA Astrophysics Data System (ADS)
Sipilä, O.; Harju, J.; Caselli, P.
2017-10-01
Aims: We study whether or not rotational excitation can make a large difference to chemical models of the abundances of the H3+ isotopologs, including spin states, in physical conditions corresponding to starless cores and protostellar envelopes. Methods: We developed a new rate coefficient set for the chemistry of the H3+ isotopologs, allowing for rotational excitation, using previously published state-to-state rate coefficients. These new so-called species-to-species rate coefficients are compared with previously-used ground-state-to-species rate coefficients by calculating chemical evolution in variable physical conditions using a pseudo-time-dependent chemical code. Results: We find that the new species-to-species model produces different results to the ground state-to-species model at high density and toward increasing temperatures (T> 10 K). The most prominent difference is that the species-to-species model predicts a lower H3+ deuteration degree at high density owing to an increase of the rate coefficients of endothermic reactions that tend to decrease deuteration. For example at 20 K, the ground-state-to-species model overestimates the abundance of H2D+ by a factor of about two, while the abundance of D3+ can differ by up to an order of magnitude between the models. The spin-state abundance ratios of the various H3+ isotopologs are also affected, and the new model better reproduces recent observations of the abundances of ortho and para H2D+ and D2H+. The main caveat is that the applicability regime of the new rate coefficients depends on the critical densities of the various rotational transitions which vary with the abundances of the species and the temperature in dense clouds. Conclusions: The difference in the abundances of the H3+ isotopologs predicted by the species-to-species and ground state-to-species models is negligible at 10 K corresponding to physical conditions in starless cores, but inclusion of the excited states is very important in studies of deuteration at higher temperatures, for example in protostellar envelopes. The species-to-species rate coefficients provide a more realistic approach to the chemistry of the H3+ isotopologs than the ground-state-to-species rate coefficients do, and so the former should be adopted in chemical models describing the chemistry of the H3+ + H2 reacting system.
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Nuclear Reactions in the Crusts of Accreting Neutron Stars
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lau, Rita; Beard, Mary; Gupta, Sanjib S.
X-ray observations of transiently accreting neutron stars during quiescence provide information about the structure of neutron star crusts and the properties of dense matter. Interpretation of the observational data requires an understanding of the nuclear reactions that heat and cool the crust during accretion and define its nonequilibrium composition. We identify here in detail the typical nuclear reaction sequences down to a depth in the inner crust where the mass density ismore » $$\\rho =2\\times {10}^{12}\\,{\\rm{g}}\\,{\\mathrm{cm}}^{-3}$$ using a full nuclear reaction network for a range of initial compositions. The reaction sequences differ substantially from previous work. We find a robust reduction of crust impurity at the transition to the inner crust regardless of initial composition, though shell effects can delay the formation of a pure crust somewhat to densities beyond $$\\rho =2\\times {10}^{12}\\,{\\rm{g}}\\,{\\mathrm{cm}}^{-3}$$. This naturally explains the small inner crust impurity inferred from observations of a broad range of systems. The exception are initial compositions with A ≥ 102 nuclei, where the inner crust remains impure with an impurity parameter of Q imp ≈ 20 owing to the N = 82 shell closure. In agreement with previous work, we find that nuclear heating is relatively robust and independent of initial composition, while cooling via nuclear Urca cycles in the outer crust depends strongly on initial composition. As a result, this work forms a basis for future studies of the sensitivity of crust models to nuclear physics and provides profiles of composition for realistic crust models.« less
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Prediction of conformationally dependent atomic multipole moments in carbohydrates
Cardamone, Salvatore
2015-01-01
The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an “atom in a molecule,” thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol−1 for open chains and just over 90% an error of maximum 4 kJ mol−1 for rings. © 2015 Wiley Periodicals, Inc. PMID:26547500
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Photoionization of High-altitude Gas in a Supernova-driven Turbulent Interstellar Medium
NASA Astrophysics Data System (ADS)
Wood, Kenneth; Hill, Alex S.; Joung, M. Ryan; Mac Low, Mordecai-Mark; Benjamin, Robert A.; Haffner, L. Matthew; Reynolds, R. J.; Madsen, G. J.
2010-10-01
We investigate models for the photoionization of the widespread diffuse ionized gas (DIG) in galaxies. In particular, we address the long standing question of the penetration of Lyman continuum photons from sources close to the galactic midplane to large heights in the galactic halo. We find that recent hydrodynamical simulations of a supernova-driven interstellar medium (ISM) have low-density paths and voids that allow for ionizing photons from midplane OB stars to reach and ionize gas many kiloparsecs above the midplane. We find that ionizing fluxes throughout our simulation grids are larger than predicted by one-dimensional slab models, thus allowing for photoionization by O stars of low altitude neutral clouds in the Galaxy that are also detected in Hα. In previous studies of such clouds, the photoionization scenario had been rejected and the Hα had been attributed to enhanced cosmic ray ionization or scattered light from midplane H II regions. We do find that the emission measure distributions in our simulations are wider than those derived from Hα observations in the Milky Way. In addition, the horizontally averaged height dependence of the gas density in the hydrodynamical models is lower than inferred in the Galaxy. These discrepancies are likely due to the absence of magnetic fields in the hydrodynamic simulations and we discuss how magnetohydrodynamic effects may reconcile models and observations. Nevertheless, we anticipate that the inclusion of magnetic fields in the dynamical simulations will not alter our primary finding that midplane OB stars are capable of producing high-altitude DIG in a realistic three-dimensional ISM.
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Prediction of conformationally dependent atomic multipole moments in carbohydrates.
Cardamone, Salvatore; Popelier, Paul L A
2015-12-15
The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings. © 2015 Wiley Periodicals, Inc.
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Allken, Vaneeda; Chepkoech, Joy-Loi; Einevoll, Gaute T; Halnes, Geir
2014-01-01
Inhibitory interneurons (INs) in the lateral geniculate nucleus (LGN) provide both axonal and dendritic GABA output to thalamocortical relay cells (TCs). Distal parts of the IN dendrites often enter into complex arrangements known as triadic synapses, where the IN dendrite plays a dual role as postsynaptic to retinal input and presynaptic to TC dendrites. Dendritic GABA release can be triggered by retinal input, in a highly localized process that is functionally isolated from the soma, but can also be triggered by somatically elicited Ca(2+)-spikes and possibly by backpropagating action potentials. Ca(2+)-spikes in INs are predominantly mediated by T-type Ca(2+)-channels (T-channels). Due to the complex nature of the dendritic signalling, the function of the IN is likely to depend critically on how T-channels are distributed over the somatodendritic membrane (T-distribution). To study the relationship between the T-distribution and several IN response properties, we here run a series of simulations where we vary the T-distribution in a multicompartmental IN model with a realistic morphology. We find that the somatic response to somatic current injection is facilitated by a high T-channel density in the soma-region. Conversely, a high T-channel density in the distal dendritic region is found to facilitate dendritic signalling in both the outward direction (increases the response in distal dendrites to somatic input) and the inward direction (the soma responds stronger to distal synaptic input). The real T-distribution is likely to reflect a compromise between several neural functions, involving somatic response patterns and dendritic signalling.
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Allken, Vaneeda; Chepkoech, Joy-Loi; Einevoll, Gaute T.; Halnes, Geir
2014-01-01
Inhibitory interneurons (INs) in the lateral geniculate nucleus (LGN) provide both axonal and dendritic GABA output to thalamocortical relay cells (TCs). Distal parts of the IN dendrites often enter into complex arrangements known as triadic synapses, where the IN dendrite plays a dual role as postsynaptic to retinal input and presynaptic to TC dendrites. Dendritic GABA release can be triggered by retinal input, in a highly localized process that is functionally isolated from the soma, but can also be triggered by somatically elicited Ca2+-spikes and possibly by backpropagating action potentials. Ca2+-spikes in INs are predominantly mediated by T-type Ca2+-channels (T-channels). Due to the complex nature of the dendritic signalling, the function of the IN is likely to depend critically on how T-channels are distributed over the somatodendritic membrane (T-distribution). To study the relationship between the T-distribution and several IN response properties, we here run a series of simulations where we vary the T-distribution in a multicompartmental IN model with a realistic morphology. We find that the somatic response to somatic current injection is facilitated by a high T-channel density in the soma-region. Conversely, a high T-channel density in the distal dendritic region is found to facilitate dendritic signalling in both the outward direction (increases the response in distal dendrites to somatic input) and the inward direction (the soma responds stronger to distal synaptic input). The real T-distribution is likely to reflect a compromise between several neural functions, involving somatic response patterns and dendritic signalling. PMID:25268996
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NASA Technical Reports Server (NTRS)
Wang, J.; Biasca, R.; Liewer, P. C.
1996-01-01
Although the existence of the critical ionization velocity (CIV) is known from laboratory experiments, no agreement has been reached as to whether CIV exists in the natural space environment. In this paper we move towards more realistic models of CIV and present the first fully three-dimensional, electromagnetic particle-in-cell Monte-Carlo collision (PIC-MCC) simulations of typical space-based CIV experiments. In our model, the released neutral gas is taken to be a spherical cloud traveling across a magnetized ambient plasma. Simulations are performed for neutral clouds with various sizes and densities. The effects of the cloud parameters on ionization yield, wave energy growth, electron heating, momentum coupling, and the three-dimensional structure of the newly ionized plasma are discussed. The simulations suggest that the quantitative characteristics of momentum transfers among the ion beam, neutral cloud, and plasma waves is the key indicator of whether CIV can occur in space. The missing factors in space-based CIV experiments may be the conditions necessary for a continuous enhancement of the beam ion momentum. For a typical shaped charge release experiment, favorable CIV conditions may exist only in a very narrow, intermediate spatial region some distance from the release point due to the effects of the cloud density and size. When CIV does occur, the newly ionized plasma from the cloud forms a very complex structure due to the combined forces from the geomagnetic field, the motion induced emf, and the polarization. Hence the detection of CIV also critically depends on the sensor location.
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Resonant line transfer in a fog: using Lyman-alpha to probe tiny structures in atomic gas
NASA Astrophysics Data System (ADS)
Gronke, Max; Dijkstra, Mark; McCourt, Michael; Peng Oh, S.
2017-11-01
Motivated by observational and theoretical work that suggest very small-scale (≲ 1 pc) structure in the circumgalactic medium of galaxies and in other environments, we study Lyman-α (Lyα) radiative transfer in an extremely clumpy medium with many clouds of neutral gas along the line of sight. While previous studies have typically considered radiative transfer through sightlines intercepting ≲ 10 clumps, we explored the limit of a very large number of clumps per sightline (up to fc 1000). Our main finding is that, for covering factors greater than some critical threshold, a multiphase medium behaves similarly to a homogeneous medium in terms of the emergent Lyα spectrum. The value of this threshold depends on both the clump column density and the movement of the clumps. We estimated this threshold analytically and compare our findings to radiative transfer simulations with a range of covering factors, clump column densities, radii, and motions. Our results suggest that (I) the success in fitting observed Lyα spectra using homogeneous "shell models" (and the corresponding failure of multiphase models) hints at the presence of very small-scale structure in neutral gas, which is in agreement within a number of other observations; and (II) the recurrent problems of reproducing realistic line profiles from hydrodynamical simulations may be due to their inability to resolve small-scale structure, which causes simulations to underestimate the effective covering factor of neutral gas clouds. The movie associated to Fig. B.2 is available at http://www.aanda.org
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Compact static stars in minimal dilatonic gravity
NASA Astrophysics Data System (ADS)
Fiziev, Plamen P.
2017-09-01
In the version1 of this paper we presented for the first time the basic equations and relations for relativistic static spherically symmetric stars (SSSS) in the model of minimal dilatonic gravity (MDG). This model is locally equivalent to the f(R) theory of gravity and gives an alternative description of the effects of dark matter and dark energy using the Brans-Dicke dilaton Φ. To outline the basic properties of the MDG model of SSSS and to compare them with general relativistic results, in this paper we use the relativistic equation of state (EOS) of neutron matter as an ideal Fermi neutron gas at zero temperature. We overcome the well-known difficulties of the physics of SSSS in the f(R) theories of gravity2,3 applying novel highly nontrivial nonlinear boundary conditions, which depend on the global properties of the solution and on the EOS. We also introduce two pairs of new notions: cosmological-energy-pressure densities and dilaton-energy-pressure densities, as well as two new EOSs for them: cosmological EOS (CEOS) and dilaton EOS (DEOS). Special attention is paid to the dilatonic sphere (in brief — disphere) of SSSS, introduced in this paper for the first time. Using several realistic EOS for neutron star (NS): SLy, BSk19, BSk20 and BSk21, and current observational two-solar-masses-limit, we derive an estimate for scalar-field-mass mΦ ˜ 10-13eV/c2 ÷ 4 × 10-11eV/c2. Thus, the present version of the paper reflects some of the recent developments of the topic.
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Nuclear Reactions in the Crusts of Accreting Neutron Stars
Lau, Rita; Beard, Mary; Gupta, Sanjib S.; ...
2018-05-24
X-ray observations of transiently accreting neutron stars during quiescence provide information about the structure of neutron star crusts and the properties of dense matter. Interpretation of the observational data requires an understanding of the nuclear reactions that heat and cool the crust during accretion and define its nonequilibrium composition. We identify here in detail the typical nuclear reaction sequences down to a depth in the inner crust where the mass density ismore » $$\\rho =2\\times {10}^{12}\\,{\\rm{g}}\\,{\\mathrm{cm}}^{-3}$$ using a full nuclear reaction network for a range of initial compositions. The reaction sequences differ substantially from previous work. We find a robust reduction of crust impurity at the transition to the inner crust regardless of initial composition, though shell effects can delay the formation of a pure crust somewhat to densities beyond $$\\rho =2\\times {10}^{12}\\,{\\rm{g}}\\,{\\mathrm{cm}}^{-3}$$. This naturally explains the small inner crust impurity inferred from observations of a broad range of systems. The exception are initial compositions with A ≥ 102 nuclei, where the inner crust remains impure with an impurity parameter of Q imp ≈ 20 owing to the N = 82 shell closure. In agreement with previous work, we find that nuclear heating is relatively robust and independent of initial composition, while cooling via nuclear Urca cycles in the outer crust depends strongly on initial composition. As a result, this work forms a basis for future studies of the sensitivity of crust models to nuclear physics and provides profiles of composition for realistic crust models.« less
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Bannwarth, Christoph; Seibert, Jakob; Grimme, Stefan
2016-05-01
The electronic circular dichroism (ECD) spectrum of the recently synthesized [16]helicene and a derivative comprising two triisopropylsilyloxy protection groups was computed by means of the very efficient simplified time-dependent density functional theory (sTD-DFT) approach. Different from many previous ECD studies of helicenes, nonequilibrium structure effects were accounted for by computing ECD spectra on "snapshots" obtained from a molecular dynamics (MD) simulation including solvent molecules. The trajectories are based on a molecule specific classical potential as obtained from the recently developed quantum chemically derived force field (QMDFF) scheme. The reduced computational cost in the MD simulation due to the use of the QMDFF (compared to ab-initio MD) as well as the sTD-DFT approach make realistic spectral simulations feasible for these compounds that comprise more than 100 atoms. While the ECD spectra of [16]helicene and its derivative computed vertically on the respective gas phase, equilibrium geometries show noticeable differences, these are "washed" out when nonequilibrium structures are taken into account. The computed spectra with two recommended density functionals (ωB97X and BHLYP) and extended basis sets compare very well with the experimental one. In addition we provide an estimate for the missing absolute intensities of the latter. The approach presented here could also be used in future studies to capture nonequilibrium effects, but also to systematically average ECD spectra over different conformations in more flexible molecules. Chirality 28:365-369, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
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Komarov, Pavel V; Khokhlov, Alexei R
2013-01-01
Summary Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic) and minority (hydrophilic) subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25–50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT)-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping) mechanism as a significant contributor to the proton conductivity. PMID:24205452
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Thomas, Yoann; Dumas, Franck; Andréfouët, Serge
2014-01-01
Studying the larval dispersal of bottom-dwelling species is necessary to understand their population dynamics and optimize their management. The black-lip pearl oyster (Pinctada margaritifera) is cultured extensively to produce black pearls, especially in French Polynesia's atoll lagoons. This aquaculture relies on spat collection, a process that can be optimized by understanding which factors influence larval dispersal. Here, we investigate the sensitivity of P. margaritifera larval dispersal kernel to both physical and biological factors in the lagoon of Ahe atoll. Specifically, using a validated 3D larval dispersal model, the variability of lagoon-scale connectivity is investigated against wind forcing, depth and location of larval release, destination location, vertical swimming behavior and pelagic larval duration (PLD) factors. The potential connectivity was spatially weighted according to both the natural and cultivated broodstock densities to provide a realistic view of connectivity. We found that the mean pattern of potential connectivity was driven by the southwest and northeast main barotropic circulation structures, with high retention levels in both. Destination locations, spawning sites and PLD were the main drivers of potential connectivity, explaining respectively 26%, 59% and 5% of the variance. Differences between potential and realistic connectivity showed the significant contribution of the pearl oyster broodstock location to its own dynamics. Realistic connectivity showed larger larval supply in the western destination locations, which are preferentially used by farmers for spat collection. In addition, larval supply in the same sectors was enhanced during summer wind conditions. These results provide new cues to understanding the dynamics of bottom-dwelling populations in atoll lagoons, and show how to take advantage of numerical models for pearl oyster management. PMID:24740288
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Li Zhiyun; Krasnopolsky, Ruben; Shang Hsien
Dense, star-forming cores of molecular clouds are observed to be significantly magnetized. A realistic magnetic field of moderate strength has been shown to suppress, through catastrophic magnetic braking, the formation of a rotationally supported disk (RSD) during the protostellar accretion phase of low-mass star formation in the ideal MHD limit. We address, through two-dimensional (axisymmetric) simulations, the question of whether realistic levels of non-ideal effects, computed with a simplified chemical network including dust grains, can weaken the magnetic braking enough to enable an RSD to form. We find that ambipolar diffusion (AD), the dominant non-ideal MHD effect over most ofmore » the density range relevant to disk formation, does not enable disk formation, at least in two dimensions. The reason is that AD allows the magnetic flux that would be dragged into the central stellar object in the ideal MHD limit to pile up instead in a small circumstellar region, where the magnetic field strength (and thus the braking efficiency) is greatly enhanced. We also find that, on the scale of tens of AU or more, a realistic level of Ohmic dissipation does not weaken the magnetic braking enough for an RSD to form, either by itself or in combination with AD. The Hall effect, the least explored of these three non-ideal MHD effects, can spin up the material close to the central object to a significant, supersonic rotation speed, even when the core is initially non-rotating, although the spun-up material remains too sub-Keplerian to form an RSD. The problem of catastrophic magnetic braking that prevents disk formation in dense cores magnetized to realistic levels remains unresolved. Possible resolutions of this problem are discussed.« less
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NASA Astrophysics Data System (ADS)
Roy, Sthitadhi; Kolodrubetz, Michael; Goldman, Nathan; Grushin, Adolfo G.
2018-04-01
In this work, we describe a toolbox to realize and probe synthetic axial gauge fields in engineered Weyl semimetals. These synthetic electromagnetic fields, which are sensitive to the chirality associated with Weyl nodes, emerge due to spatially and temporally dependent shifts of the corresponding Weyl momenta. First, we introduce two realistic models, inspired by recent cold-atom developments, which are particularly suitable for the exploration of these synthetic axial gauge fields. Second, we describe how to realize and measure the effects of such axial fields through center-of-mass observables, based on semiclassical equations of motion and exact numerical simulations. In particular, we suggest realistic protocols to reveal an axial Hall response due to the axial electric field \